data_1m39_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 1m39 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 CA--C 1.575 1.94 0 CA-C-O 117.587 -1.197 . . . . 0.0 114.066 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.34 -48.27 59.08 Favored Glycine 0 N--CA 1.496 2.66 0 CA-C-N 121.602 2.001 . . . . 0.0 115.443 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.83 -42.03 91.06 Favored 'General case' 0 CA--C 1.575 1.935 0 CA-C-O 117.652 -1.166 . . . . 0.0 110.122 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -57.41 -43.74 84.01 Favored 'General case' 0 N--CA 1.506 2.361 0 CA-C-N 121.024 1.738 . . . . 0.0 110.275 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.21 -56.76 17.87 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.924 -1.11 . . . . 0.0 112.826 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.504 2.235 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 176.721 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.513 2.687 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 71.94 -50.85 0.7 Allowed 'General case' 0 N--CA 1.527 3.414 0 O-C-N 118.107 -2.871 . . . . 0.0 112.131 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -51.53 -38.99 56.79 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 126.957 2.103 . . . . 0.0 112.022 175.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.8 tt -57.71 -43.58 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.375 0 CA-C-N 122.119 2.236 . . . . 0.0 111.532 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.498 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 15.6 mt -72.43 -44.64 62.14 Favored 'General case' 0 CA--C 1.563 1.461 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -67.79 -41.29 83.43 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-O 117.794 -1.098 . . . . 0.0 112.996 176.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.82 -43.85 74.73 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 121.088 1.767 . . . . 0.0 112.432 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.416 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.2 t80 -67.31 -46.16 74.37 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 121.19 1.814 . . . . 0.0 111.71 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . 0.25 8.6 tptt -64.49 -32.27 73.83 Favored 'General case' 0 CA--C 1.573 1.855 0 CA-C-O 116.987 -1.482 . . . . 0.0 112.572 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.0 mt -77.25 -19.91 55.93 Favored 'General case' 0 CA--C 1.592 2.571 0 CA-C-N 122.25 2.296 . . . . 0.0 111.287 171.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.7 -45.77 60.81 Favored 'General case' 0 CA--C 1.571 1.781 0 CA-C-N 121.218 1.826 . . . . 0.0 112.633 173.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -80.95 67.7 6.95 Favored 'General case' 0 CA--C 1.592 2.569 0 CA-C-N 119.338 0.972 . . . . 0.0 113.161 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -43.46 -21.61 0.03 OUTLIER 'General case' 0 N--CA 1.519 2.98 0 N-CA-C 117.193 2.294 . . . . 0.0 117.193 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -85.98 -2.83 58.67 Favored 'General case' 0 CA--C 1.585 2.324 0 CA-C-N 120.804 1.638 . . . . 0.0 112.215 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 69.87 -0.48 2.69 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 117.904 2.557 . . . . 0.0 117.904 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 27.6 p -70.14 -40.08 75.01 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 125.774 1.629 . . . . 0.0 112.481 178.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 88.26 57.6 1.87 Allowed Glycine 0 CA--C 1.538 1.478 0 N-CA-C 116.664 1.426 . . . . 0.0 116.664 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -148.17 109.87 4.46 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.2 mp -101.47 124.81 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.625 0 CA-C-N 121.063 1.756 . . . . 0.0 106.533 176.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 62.4 p -104.44 166.64 10.26 Favored 'General case' 0 CA--C 1.587 2.395 0 CA-C-N 113.274 -1.785 . . . . 0.0 107.704 174.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -54.45 -35.31 62.87 Favored 'General case' 0 N--CA 1.511 2.613 0 O-C-N 119.947 -1.721 . . . . 0.0 115.136 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -62.52 -42.03 99.24 Favored 'General case' 0 CA--C 1.583 2.231 0 O-C-N 120.951 -1.093 . . . . 0.0 111.832 177.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -35.66 81.75 Favored 'General case' 0 CA--C 1.579 2.061 0 O-C-N 120.609 -1.307 . . . . 0.0 109.565 174.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.19 -42.64 69.95 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 120.77 1.623 . . . . 0.0 110.272 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -57.27 -49.76 75.03 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-N 119.325 0.966 . . . . 0.0 111.114 174.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -52.97 -51.43 61.55 Favored 'General case' 0 N--CA 1.507 2.409 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 4.0 t -73.26 -34.35 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 CA-C-O 117.881 -1.057 . . . . 0.0 112.29 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.17 83.18 Favored 'General case' 0 CA--C 1.572 1.815 0 CA-C-N 121.09 1.768 . . . . 0.0 112.292 173.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -70.68 -46.28 63.47 Favored 'General case' 0 CA--C 1.574 1.875 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -74.04 -19.99 60.45 Favored 'General case' 0 CA--C 1.57 1.722 0 N-CA-C 119.103 3.001 . . . . 0.0 119.103 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.99 -73.82 0.14 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.656 1.571 . . . . 0.0 113.244 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -170.71 -45.52 0.03 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 117.38 1.712 . . . . 0.0 117.38 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -132.96 99.24 4.52 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 119.23 1.515 . . . . 0.0 107.775 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -64.48 146.75 54.07 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 117.104 2.261 . . . . 0.0 117.104 -177.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 6.5 mp -105.73 178.77 4.46 Favored 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 124.799 1.24 . . . . 0.0 112.873 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 15.0 t -97.83 158.45 15.51 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.362 -0.836 . . . . 0.0 110.008 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.22 -46.62 54.79 Favored 'General case' 0 N--CA 1.512 2.668 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.03 -46.3 89.78 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 124.839 1.256 . . . . 0.0 114.118 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . 0.261 13.5 tp10 -60.21 -48.64 80.87 Favored 'General case' 0 CA--C 1.585 2.294 0 C-N-CA 124.836 1.254 . . . . 0.0 111.564 176.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 16.0 mt -56.29 -36.15 68.32 Favored 'General case' 0 CA--C 1.583 2.233 0 O-C-N 120.104 -1.623 . . . . 0.0 111.082 172.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.506 HE22 ' CG2' ' A' ' 146' ' ' ILE . 0.7 OUTLIER -67.79 -36.85 81.17 Favored 'General case' 0 C--N 1.372 1.565 0 CA-C-O 117.796 -1.097 . . . . 0.0 111.003 178.172 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -59.66 -40.2 86.98 Favored 'General case' 0 CA--C 1.587 2.401 0 CA-C-N 120.438 1.472 . . . . 0.0 109.748 172.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -41.48 91.25 Favored 'General case' 0 CA--C 1.588 2.438 0 O-C-N 121.136 -0.977 . . . . 0.0 111.419 173.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.506 ' CG2' HE22 ' A' ' 143' ' ' GLN . 8.4 mm -60.26 -53.56 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 C-N-CA 124.943 1.297 . . . . 0.0 109.644 173.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -53.97 -48.05 70.73 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 117.477 -1.249 . . . . 0.0 111.97 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -59.84 -38.98 83.62 Favored 'General case' 0 N--CA 1.514 2.757 0 CA-C-N 121.175 1.807 . . . . 0.0 113.808 174.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.86 -26.85 54.72 Favored 'General case' 0 CA--C 1.573 1.86 0 N-CA-C 118.97 2.952 . . . . 0.0 118.97 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.261 34.4 t70 -97.19 27.05 4.33 Favored 'General case' 0 CA--C 1.583 2.243 0 N-CA-C 117.963 2.579 . . . . 0.0 117.963 -177.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -27.13 59.87 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 118.988 2.959 . . . . 0.0 118.988 -176.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -123.25 44.81 2.58 Favored 'General case' 0 CA--C 1.588 2.412 0 C-N-CA 125.756 1.622 . . . . 0.0 107.756 176.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -143.32 -153.3 5.84 Favored Glycine 0 CA--C 1.574 3.741 0 CA-C-N 121.842 2.11 . . . . 0.0 113.989 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -128.88 24.45 5.67 Favored 'General case' 0 CA--C 1.602 2.945 0 O-C-N 120.622 -1.516 . . . . 0.0 114.031 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 107.17 17.64 11.34 Favored Glycine 0 CA--C 1.569 3.422 0 O-C-N 117.957 -2.964 . . . . 0.0 115.136 -176.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -160.06 151.33 19.49 Favored 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 127.2 2.2 . . . . 0.0 106.738 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 4.3 t -99.75 116.24 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 119.35 -2.094 . . . . 0.0 107.617 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 6.1 p -101.35 -179.97 4.19 Favored 'General case' 0 CA--C 1.571 1.787 0 CA-C-O 124.55 2.119 . . . . 0.0 111.713 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -48.19 13.17 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 112.78 -2.009 . . . . 0.0 113.772 175.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -57.24 -43.62 83.11 Favored 'General case' 0 CA--C 1.568 1.639 0 O-C-N 119.796 -1.815 . . . . 0.0 114.255 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.256 15.8 mt-10 -75.79 -19.92 58.61 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 120.279 1.4 . . . . 0.0 113.583 175.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.498 ' CE1' ' HA ' ' A' ' 107' ' ' LEU . 23.7 t80 -73.08 -48.23 37.65 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 125.419 1.488 . . . . 0.0 111.975 173.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.07 -20.94 44.02 Favored 'General case' 0 CA--C 1.572 1.821 0 C-N-CA 125.504 1.522 . . . . 0.0 114.072 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -19.99 0.62 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 176.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.501 2.097 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 176.893 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 . . . . . 0 N--CA 1.498 1.95 1 N-CA-C 122.365 4.209 . . . . 0.0 122.365 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -42.81 -50.35 5.98 Favored Glycine 0 N--CA 1.509 3.507 0 CA-C-N 122.154 2.252 . . . . 0.0 117.41 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -61.96 -48.1 81.92 Favored 'General case' 0 CA--C 1.575 1.91 0 C-N-CA 124.724 1.21 . . . . 0.0 113.181 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -56.16 -42.87 77.72 Favored 'General case' 0 N--CA 1.503 2.177 0 C-N-CA 124.83 1.252 . . . . 0.0 111.335 174.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.67 -53.85 52.38 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.72 1.208 . . . . 0.0 110.808 175.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.506 2.341 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 176.522 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.512 2.625 0 CA-C-O 117.303 -1.332 . . . . 0.0 109.047 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 68.19 -59.12 0.44 Allowed 'General case' 0 N--CA 1.534 3.755 0 CA-C-N 124.039 3.109 . . . . 0.0 110.678 -175.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -30.27 34.27 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 126.91 2.084 . . . . 0.0 113.887 174.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.1 tt -58.95 -43.76 89.45 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.731 0 CA-C-N 120.662 1.574 . . . . 0.0 110.863 176.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.67 -45.07 65.74 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 118.549 -0.739 . . . . 0.0 112.565 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -65.63 -49.81 67.31 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 117.393 -1.289 . . . . 0.0 112.255 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.72 99.55 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 121.058 1.754 . . . . 0.0 114.38 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.485 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 18.3 t80 -71.32 -42.06 69.09 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 121.156 1.798 . . . . 0.0 112.548 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -68.06 -34.18 75.95 Favored 'General case' 0 CA--C 1.581 2.168 0 CA-C-O 116.485 -1.722 . . . . 0.0 111.622 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.0 pp -74.94 -30.68 61.3 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 122.908 2.595 . . . . 0.0 112.56 173.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -55.81 -47.4 77.23 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 119.419 1.008 . . . . 0.0 112.761 173.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -79.26 79.17 5.71 Favored 'General case' 0 CA--C 1.592 2.595 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.925 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.14 -21.01 0.02 OUTLIER 'General case' 0 N--CA 1.517 2.925 0 N-CA-C 117.54 2.422 . . . . 0.0 117.54 175.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -92.06 -4.77 53.98 Favored 'General case' 0 CA--C 1.59 2.492 0 CA-C-N 120.654 1.57 . . . . 0.0 112.635 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 67.92 2.78 3.25 Favored 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.409 ' CB ' ' HZ1' ' A' ' 120' ' ' LYS . 64.6 p -72.14 -52.76 15.16 Favored 'General case' 0 CA--C 1.566 1.571 0 C-N-CA 126.828 2.051 . . . . 0.0 110.068 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 107.32 57.09 0.6 Allowed Glycine 0 CA--C 1.539 1.574 0 N-CA-C 118.884 2.314 . . . . 0.0 118.884 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.409 ' HZ1' ' CB ' ' A' ' 118' ' ' THR . 0.1 OUTLIER -137.71 109.97 7.35 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 120.099 1.95 . . . . 0.0 109.842 174.53 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.35 119.91 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.258 -0.901 . . . . 0.0 109.166 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.4 t -100.3 170.48 8.4 Favored 'General case' 0 CA--C 1.59 2.484 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 172.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -44.0 -38.0 3.27 Favored 'General case' 0 N--CA 1.513 2.707 0 N-CA-C 117.836 2.532 . . . . 0.0 117.836 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -56.93 -46.83 81.77 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.304 5.8 t-20 -66.35 -42.03 88.66 Favored 'General case' 0 N--CA 1.51 2.532 0 CA-C-O 114.794 -2.527 . . . . 0.0 108.575 177.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.8 mp -51.56 -38.68 55.47 Favored 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 123.279 2.763 . . . . 0.0 113.329 174.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.345 12.1 ptmt -72.84 -36.9 67.55 Favored 'General case' 0 CA--C 1.589 2.457 0 CA-C-O 115.932 -1.985 . . . . 0.0 110.794 176.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -61.43 -44.88 96.35 Favored 'General case' 0 N--CA 1.517 2.912 0 CA-C-N 124.046 3.112 . . . . 0.0 111.876 173.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -44.29 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 123.558 0.743 . . . . 0.0 111.325 177.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.15 75.85 Favored 'General case' 0 CA--C 1.563 1.448 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -32.26 63.84 Favored 'General case' 0 CA--C 1.585 2.308 0 CA-C-N 120.355 1.434 . . . . 0.0 113.993 174.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -80.11 -34.38 37.91 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 119.173 3.027 . . . . 0.0 119.173 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.68 -67.56 0.4 Allowed 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -170.99 -39.37 0.03 OUTLIER Glycine 0 N--CA 1.489 2.232 0 N-CA-C 119.185 2.434 . . . . 0.0 119.185 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -147.78 98.68 3.0 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-N 120.593 2.197 . . . . 0.0 110.639 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -67.18 131.36 45.64 Favored 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.83 -115.13 0.08 Allowed 'General case' 0 CA--C 1.574 1.883 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.5 t -154.85 165.52 36.38 Favored 'General case' 0 CA--C 1.559 1.291 0 CA-C-O 124.05 1.881 . . . . 0.0 108.302 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -40.56 -51.07 2.98 Favored 'General case' 0 CA--C 1.569 1.679 0 N-CA-C 117.052 2.242 . . . . 0.0 117.052 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.4 -42.54 98.78 Favored 'General case' 0 CA--C 1.569 1.708 0 C-N-CA 125.258 1.423 . . . . 0.0 113.317 178.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.6 -51.76 68.43 Favored 'General case' 0 N--CA 1.505 2.295 0 CA-C-N 119.05 0.841 . . . . 0.0 110.85 175.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.83 -37.23 73.44 Favored 'General case' 0 CA--C 1.568 1.642 0 O-C-N 121.143 -0.973 . . . . 0.0 113.231 175.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -71.28 -37.35 71.89 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 118.001 -0.999 . . . . 0.0 111.356 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -60.7 -40.63 92.93 Favored 'General case' 0 CA--C 1.585 2.292 0 CA-C-N 119.665 1.12 . . . . 0.0 109.552 173.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.5 mmm -62.35 -40.41 96.29 Favored 'General case' 0 CA--C 1.582 2.184 0 O-C-N 121.17 -0.956 . . . . 0.0 111.494 173.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.1 mm -59.23 -55.02 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 C-N-CA 124.455 1.102 . . . . 0.0 109.654 174.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -53.4 -42.31 66.84 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -73.19 -27.28 61.54 Favored 'General case' 0 CA--C 1.595 2.71 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 175.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.06 -44.38 20.16 Favored 'General case' 0 CA--C 1.58 2.107 0 C-N-CA 126.299 1.84 . . . . 0.0 115.51 175.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -67.95 60.83 0.07 Allowed 'General case' 0 CA--C 1.594 2.66 0 C-N-CA 127.515 2.326 . . . . 0.0 114.102 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -25.82 63.82 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 117.778 -3.076 . . . . 0.0 118.359 -176.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.47 -35.29 65.67 Favored 'General case' 0 CA--C 1.59 2.497 0 CA-C-N 119.424 1.011 . . . . 0.0 110.531 173.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 106.75 3.66 36.9 Favored Glycine 0 N--CA 1.495 2.591 1 N-CA-C 123.775 4.27 . . . . 0.0 123.775 176.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -89.43 -26.26 21.08 Favored 'General case' 0 N--CA 1.504 2.261 0 CA-C-N 122.347 3.074 . . . . 0.0 114.966 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 127.47 28.28 0.91 Allowed Glycine 0 CA--C 1.551 2.314 0 N-CA-C 117.091 1.596 . . . . 0.0 117.091 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -160.04 149.7 18.0 Favored 'General case' 0 CA--C 1.568 1.645 0 CA-C-N 119.154 1.477 . . . . 0.0 111.228 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 6.6 t -99.78 122.89 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 -177.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 62.8 m -99.89 171.04 8.11 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.305 0.0 OUTLIER -55.85 -45.37 78.48 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 116.023 -1.942 . . . . 0.0 113.357 179.261 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.407 ' HA ' ' CD1' ' A' ' 163' ' ' LEU . 7.0 mm100 -62.89 -35.64 80.7 Favored 'General case' 0 CA--C 1.579 2.08 0 CA-C-N 123.211 2.732 . . . . 0.0 112.666 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.22 -22.79 59.21 Favored 'General case' 0 N--CA 1.506 2.361 0 CA-C-N 120.966 1.712 . . . . 0.0 112.458 174.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.2 OUTLIER -69.9 -59.06 3.16 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.431 1.493 . . . . 0.0 112.83 176.671 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.407 ' CD1' ' HA ' ' A' ' 160' ' ' GLN . 0.4 OUTLIER -80.08 -40.33 27.83 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 117.928 -1.034 . . . . 0.0 112.864 -179.03 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -80.1 -19.89 46.34 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 117.258 2.318 . . . . 0.0 117.258 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 N--CA 1.514 2.752 0 C-N-CA 127.635 2.374 . . . . 0.0 117.081 -177.808 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 N--CA 1.515 2.805 0 N-CA-C 119.251 3.056 . . . . 0.0 119.251 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.04 -39.73 26.85 Favored Glycine 0 N--CA 1.495 2.628 0 C-N-CA 125.331 1.443 . . . . 0.0 115.645 177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -56.37 -47.05 79.67 Favored 'General case' 0 CA--C 1.577 1.998 0 C-N-CA 125.101 1.361 . . . . 0.0 112.332 173.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -63.94 -45.82 87.46 Favored 'General case' 0 CA--C 1.583 2.227 0 CA-C-N 119.439 1.018 . . . . 0.0 110.565 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.0 tp -60.33 -51.65 68.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.614 -1.304 . . . . 0.0 111.717 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.499 2.022 0 C-N-CA 124.067 0.947 . . . . 0.0 113.468 176.73 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.597 2.769 0 CA-C-O 117.535 -1.222 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 66.87 -50.65 0.47 Allowed 'General case' 0 N--CA 1.539 3.988 0 CA-C-N 124.118 3.145 . . . . 0.0 111.311 -173.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -54.36 -28.6 44.14 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.436 2.295 . . . . 0.0 113.139 173.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.6 tt -54.43 -40.8 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 CA-C-N 121.755 2.07 . . . . 0.0 111.029 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.72 -44.52 73.69 Favored 'General case' 0 CA--C 1.559 1.295 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -68.68 -48.45 63.9 Favored 'General case' 0 CA--C 1.563 1.466 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.723 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.78 95.12 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-O 117.11 -1.424 . . . . 0.0 113.825 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.447 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 9.8 t80 -68.11 -44.26 76.58 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 121.35 1.886 . . . . 0.0 111.741 177.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -65.35 -33.05 75.05 Favored 'General case' 0 CA--C 1.582 2.18 0 CA-C-N 121.265 1.848 . . . . 0.0 111.998 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.4 pp -74.95 -32.49 61.74 Favored 'General case' 0 CA--C 1.582 2.192 0 CA-C-N 122.627 2.467 . . . . 0.0 112.089 173.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -47.62 82.92 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 125.329 1.452 . . . . 0.0 112.516 173.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -92.89 74.85 4.85 Favored 'General case' 0 CA--C 1.597 2.772 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -57.34 -24.7 56.81 Favored 'General case' 0 N--CA 1.51 2.574 0 CA-C-N 123.357 2.799 . . . . 0.0 117.043 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -82.31 -6.28 59.14 Favored 'General case' 0 CA--C 1.588 2.408 0 CA-C-N 121.24 1.836 . . . . 0.0 113.61 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 78.56 -9.38 1.51 Allowed 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 120.902 3.667 . . . . 0.0 120.902 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.7 p -52.06 -40.4 61.1 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 125.798 1.639 . . . . 0.0 113.84 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.86 73.4 1.28 Allowed Glycine 0 CA--C 1.533 1.183 0 N-CA-C 115.971 1.148 . . . . 0.0 115.971 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.45 109.89 2.43 Favored 'General case' 0 CA--C 1.569 1.7 0 C-N-CA 123.85 0.86 . . . . 0.0 111.981 178.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.7 mp -112.29 123.37 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 175.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.3 p -101.2 172.02 7.25 Favored 'General case' 0 CA--C 1.579 2.094 0 CA-C-N 113.201 -1.818 . . . . 0.0 108.02 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -53.99 -37.35 63.92 Favored 'General case' 0 CA--C 1.588 2.434 0 N-CA-C 116.018 1.859 . . . . 0.0 116.018 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -42.83 91.07 Favored 'General case' 0 CA--C 1.586 2.365 0 O-C-N 120.038 -1.664 . . . . 0.0 112.952 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.26 2.1 t-20 -65.77 -32.33 73.8 Favored 'General case' 0 N--CA 1.514 2.763 0 O-C-N 120.593 -1.317 . . . . 0.0 109.026 175.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 87.6 mt -55.88 -44.73 78.43 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-N 121.388 1.904 . . . . 0.0 110.332 171.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -52.04 -51.53 56.88 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 125.272 1.429 . . . . 0.0 110.808 174.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -59.95 -43.37 95.06 Favored 'General case' 0 N--CA 1.515 2.781 0 C-N-CA 118.433 -1.307 . . . . 0.0 113.638 176.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 47.7 t -70.03 -34.05 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 CA-C-O 118.775 -0.631 . . . . 0.0 111.562 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.54 -52.07 66.17 Favored 'General case' 0 CA--C 1.563 1.458 0 CA-C-N 119.796 1.18 . . . . 0.0 111.369 175.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -68.51 -35.39 77.43 Favored 'General case' 0 CA--C 1.581 2.16 0 CA-C-N 119.648 1.113 . . . . 0.0 113.958 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -72.73 -29.35 63.28 Favored 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 116.266 1.95 . . . . 0.0 116.266 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 13.6 mt -67.47 -73.23 0.14 Allowed 'General case' 0 CA--C 1.563 1.47 0 C-N-CA 125.325 1.45 . . . . 0.0 113.17 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -153.18 -46.16 0.02 OUTLIER Glycine 0 N--CA 1.488 2.117 0 CA-C-O 118.693 -1.059 . . . . 0.0 115.061 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -147.65 133.25 18.79 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 119.275 1.538 . . . . 0.0 109.007 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -81.82 98.48 8.5 Favored 'General case' 0 CA--C 1.561 1.378 0 O-C-N 121.069 -1.019 . . . . 0.0 110.114 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.7 mp -70.33 177.63 3.26 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 121.509 0.671 . . . . 0.0 112.545 179.402 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.4 t -80.45 156.95 26.36 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 123.074 1.416 . . . . 0.0 112.681 -176.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -41.7 -50.4 4.22 Favored 'General case' 0 CA--C 1.572 1.817 0 N-CA-C 117.766 2.506 . . . . 0.0 117.766 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -62.37 -45.35 93.54 Favored 'General case' 0 CA--C 1.568 1.649 0 C-N-CA 125.638 1.575 . . . . 0.0 113.135 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -58.6 -52.3 66.24 Favored 'General case' 0 CA--C 1.583 2.215 0 C-N-CA 124.383 1.073 . . . . 0.0 111.343 175.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 18.1 mt -57.85 -44.6 86.64 Favored 'General case' 0 CA--C 1.583 2.244 0 O-C-N 120.722 -1.236 . . . . 0.0 112.309 175.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.482 HE22 ' CG2' ' A' ' 146' ' ' ILE . 0.7 OUTLIER -64.05 -37.36 87.13 Favored 'General case' 0 CA--C 1.572 1.803 0 O-C-N 121.238 -0.914 . . . . 0.0 111.956 177.454 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.13 -39.51 82.56 Favored 'General case' 0 CA--C 1.585 2.299 0 CA-C-N 120.294 1.407 . . . . 0.0 110.391 173.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.4 mmt -61.68 -38.4 87.67 Favored 'General case' 0 CA--C 1.584 2.261 0 O-C-N 121.335 -0.853 . . . . 0.0 111.245 173.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.482 ' CG2' HE22 ' A' ' 143' ' ' GLN . 7.1 mm -61.75 -53.32 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.684 -1.26 . . . . 0.0 109.883 173.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -51.93 -38.76 57.6 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 119.597 1.089 . . . . 0.0 113.379 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.63 -54.86 37.27 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 123.602 1.668 . . . . 0.0 114.654 170.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.2 97.27 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 118.021 2.6 . . . . 0.0 118.021 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . 0.413 ' CG ' ' H ' ' A' ' 155' ' ' GLY 0.291 35.6 t70 -70.51 37.31 0.05 OUTLIER 'General case' 0 CA--C 1.595 2.676 0 C-N-CA 126.857 2.063 . . . . 0.0 116.525 -179.529 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.16 -40.71 11.52 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 120.065 3.357 . . . . 0.0 120.065 -175.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -131.12 52.4 2.06 Favored 'General case' 0 CA--C 1.579 2.074 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -131.9 -153.29 7.38 Favored Glycine 0 CA--C 1.571 3.538 0 O-C-N 120.147 -1.596 . . . . 0.0 113.254 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -137.75 43.74 2.24 Favored 'General case' 0 CA--C 1.605 3.063 0 O-C-N 120.583 -1.539 . . . . 0.0 108.464 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . 0.413 ' H ' ' CG ' ' A' ' 150' ' ' ASP . . . 95.05 19.83 29.83 Favored Glycine 0 CA--C 1.567 3.332 0 O-C-N 117.616 -3.178 . . . . 0.0 114.755 -175.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -160.04 150.16 18.4 Favored 'General case' 0 CA--C 1.572 1.794 0 C-N-CA 126.178 1.791 . . . . 0.0 108.15 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.6 t -99.76 119.23 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 119.989 -1.694 . . . . 0.0 108.384 -174.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 16.6 m -100.01 173.05 6.84 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -51.79 -49.35 62.88 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -36.59 83.97 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 120.73 1.605 . . . . 0.0 113.868 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -75.27 -24.06 57.51 Favored 'General case' 0 CA--C 1.581 2.142 0 CA-C-N 121.725 2.057 . . . . 0.0 112.939 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.447 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -62.91 -59.33 4.98 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.141 1.776 . . . . 0.0 109.561 174.179 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.03 -60.05 2.48 Favored 'General case' 0 CA--C 1.579 2.061 0 CA-C-O 118.152 -0.928 . . . . 0.0 112.422 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -80.19 -23.82 40.74 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 121.095 3.739 . . . . 0.0 121.095 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.2 tp . . . . . 0 N--CA 1.518 2.949 0 CA-C-N 123.348 2.795 . . . . 0.0 117.251 -176.401 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 N--CA 1.517 2.902 0 N-CA-C 117.337 2.347 . . . . 0.0 117.337 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.02 -34.67 31.49 Favored Glycine 0 N--CA 1.496 2.647 0 O-C-N 121.251 -0.906 . . . . 0.0 115.332 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.27 -51.75 68.48 Favored 'General case' 0 CA--C 1.568 1.637 0 C-N-CA 125.642 1.577 . . . . 0.0 110.645 175.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.38 -47.25 82.16 Favored 'General case' 0 N--CA 1.5 2.068 0 CA-C-N 120.487 1.494 . . . . 0.0 110.299 173.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.0 tp -56.01 -53.83 52.17 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 117.698 -1.144 . . . . 0.0 112.846 178.102 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.19 0 CA-C-O 117.241 -1.361 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 68.84 -42.02 0.48 Allowed 'General case' 0 N--CA 1.529 3.499 0 CA-C-N 123.116 2.689 . . . . 0.0 111.127 -171.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -54.82 -36.98 65.57 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.163 1.785 . . . . 0.0 112.296 175.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.4 tt -59.64 -40.77 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.49 0 CA-C-N 121.434 1.925 . . . . 0.0 111.105 174.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.444 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 3.3 mp -69.53 -48.57 60.04 Favored 'General case' 0 CA--C 1.556 1.211 0 CA-C-O 118.626 -0.702 . . . . 0.0 112.651 178.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -64.99 -41.46 95.38 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-O 117.468 -1.253 . . . . 0.0 111.648 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.8 85.17 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 121.189 1.813 . . . . 0.0 113.961 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.48 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.4 t80 -67.17 -41.57 85.74 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 121.595 1.998 . . . . 0.0 111.477 176.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -67.44 -32.19 72.89 Favored 'General case' 0 CA--C 1.58 2.121 0 CA-C-N 120.078 1.308 . . . . 0.0 112.216 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp -77.12 -26.29 53.07 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-N 122.155 2.252 . . . . 0.0 111.108 171.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -51.95 67.01 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 119.903 1.228 . . . . 0.0 109.387 172.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -68.83 73.28 0.26 Allowed 'General case' 0 CA--C 1.586 2.351 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.73 -15.05 0.08 Allowed 'General case' 0 CA--C 1.606 3.121 0 O-C-N 118.68 -2.513 . . . . 0.0 115.523 173.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 50.9 p30 -88.49 -16.41 32.8 Favored 'General case' 0 CA--C 1.581 2.137 0 C-N-CA 126.089 1.755 . . . . 0.0 112.804 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 78.22 -1.02 2.56 Favored 'General case' 0 CA--C 1.586 2.357 0 C-N-CA 127.642 2.377 . . . . 0.0 115.239 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 33.8 p -81.57 -14.6 56.62 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 118.769 -2.457 . . . . 0.0 115.834 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.09 51.54 22.75 Favored Glycine 0 CA--C 1.539 1.558 0 CA-C-N 121.365 1.893 . . . . 0.0 117.814 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -145.53 109.89 4.97 Favored 'General case' 0 CA--C 1.56 1.337 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.4 mp -109.97 126.2 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 CA-C-O 123.558 1.647 . . . . 0.0 107.742 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.4 p -104.56 176.89 5.01 Favored 'General case' 0 CA--C 1.578 2.052 0 CA-C-N 112.142 -2.299 . . . . 0.0 107.53 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -56.54 -35.74 68.46 Favored 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -64.88 -39.28 93.3 Favored 'General case' 0 CA--C 1.579 2.078 0 O-C-N 120.543 -1.348 . . . . 0.0 113.267 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.326 24.9 t-20 -73.59 -25.36 60.31 Favored 'General case' 0 CA--C 1.6 2.871 0 CA-C-N 120.194 1.361 . . . . 0.0 109.276 175.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 41.8 mt -57.28 -44.71 84.25 Favored 'General case' 0 N--CA 1.509 2.51 0 CA-C-N 122.109 2.231 . . . . 0.0 109.271 168.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -55.56 -44.24 76.65 Favored 'General case' 0 CA--C 1.568 1.662 0 CA-C-O 117.567 -1.206 . . . . 0.0 110.505 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.42 -54.94 29.61 Favored 'General case' 0 N--CA 1.504 2.229 0 CA-C-N 119.864 1.211 . . . . 0.0 111.649 174.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . 0.267 0.4 OUTLIER -61.82 -40.98 88.9 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.048 0 CA-C-N 119.749 1.159 . . . . 0.0 111.569 177.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.97 -49.75 70.62 Favored 'General case' 0 CA--C 1.581 2.159 0 CA-C-N 120.043 1.292 . . . . 0.0 112.16 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -76.03 -40.8 52.65 Favored 'General case' 0 CA--C 1.578 2.025 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.27 -40.01 84.73 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 115.972 1.842 . . . . 0.0 115.972 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -47.43 74.03 Favored 'General case' 0 CA--C 1.569 1.699 0 C-N-CA 124.766 1.226 . . . . 0.0 111.547 175.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 126.38 -42.78 1.43 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 117.895 1.918 . . . . 0.0 117.895 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -112.07 122.5 47.92 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 118.738 1.269 . . . . 0.0 109.4 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -139.78 171.51 14.12 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 116.723 2.119 . . . . 0.0 116.723 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -88.13 -125.96 0.05 Allowed 'General case' 0 CA--C 1.575 1.925 0 CA-C-N 114.619 -1.173 . . . . 0.0 112.085 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.7 t -141.26 168.1 20.58 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 123.766 1.746 . . . . 0.0 109.278 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -41.6 -51.67 3.93 Favored 'General case' 0 CA--C 1.57 1.741 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.73 -43.74 98.01 Favored 'General case' 0 CA--C 1.572 1.822 0 C-N-CA 125.588 1.555 . . . . 0.0 112.675 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.72 -52.87 63.83 Favored 'General case' 0 N--CA 1.505 2.319 0 C-N-CA 123.518 0.727 . . . . 0.0 110.769 175.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 14.2 mt -56.63 -36.15 69.14 Favored 'General case' 0 CA--C 1.573 1.844 0 O-C-N 120.796 -1.19 . . . . 0.0 113.014 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.257 22.3 tp60 -71.65 -35.89 70.53 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-O 117.751 -1.118 . . . . 0.0 110.621 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -59.13 -40.94 86.99 Favored 'General case' 0 CA--C 1.584 2.275 0 CA-C-N 120.357 1.435 . . . . 0.0 109.536 171.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 38.5 mmt -59.7 -38.28 81.16 Favored 'General case' 0 CA--C 1.583 2.24 0 C-N-CA 124.279 1.032 . . . . 0.0 112.421 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 4.6 mm -65.99 -60.08 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.662 -1.274 . . . . 0.0 110.672 173.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.82 -33.01 69.9 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -34.39 70.97 Favored 'General case' 0 N--CA 1.511 2.601 0 CA-C-N 121.039 1.745 . . . . 0.0 112.366 172.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.75 -37.49 41.08 Favored 'General case' 0 CA--C 1.585 2.31 0 N-CA-C 118.079 2.622 . . . . 0.0 118.079 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.89 20.42 0.0 OUTLIER 'General case' 0 CA--C 1.59 2.507 1 N-CA-C 122.628 4.307 . . . . 0.0 122.628 -177.65 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.87 -50.19 5.76 Favored 'General case' 0 N--CA 1.499 2.014 1 N-CA-C 124.669 5.063 . . . . 0.0 124.669 -169.049 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -117.63 47.77 1.48 Allowed 'General case' 0 CA--C 1.575 1.908 0 CA-C-N 121.342 1.883 . . . . 0.0 107.86 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -131.49 -129.26 3.03 Favored Glycine 0 CA--C 1.556 2.642 0 O-C-N 120.453 -1.404 . . . . 0.0 113.77 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -144.04 30.83 1.28 Allowed 'General case' 0 CA--C 1.591 2.528 0 CA-C-N 119.445 1.622 . . . . 0.0 109.134 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 92.48 29.61 10.84 Favored Glycine 0 N--CA 1.507 3.425 0 CA-C-N 123.219 2.736 . . . . 0.0 114.686 -175.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -160.04 157.93 29.56 Favored 'General case' 0 CA--C 1.581 2.135 0 C-N-CA 127.934 2.493 . . . . 0.0 104.829 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.79 123.89 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 118.837 -2.414 . . . . 0.0 110.901 -174.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.3 p -99.94 172.47 7.2 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 123.69 1.709 . . . . 0.0 112.126 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.281 0.0 OUTLIER -54.52 -43.45 71.91 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-O 116.891 -1.528 . . . . 0.0 113.285 178.11 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -34.47 77.96 Favored 'General case' 0 CA--C 1.567 1.627 0 CA-C-N 123.062 2.664 . . . . 0.0 113.046 177.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.06 -26.77 60.58 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-N 121.999 2.181 . . . . 0.0 112.326 173.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.0 OUTLIER -65.62 -60.22 3.13 Favored 'General case' 0 CA--C 1.563 1.442 0 CA-C-N 120.576 1.535 . . . . 0.0 110.886 175.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.8 pp -80.45 -60.1 2.45 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -80.1 -22.44 42.16 Favored 'General case' 0 N--CA 1.491 1.595 1 N-CA-C 123.256 4.539 . . . . 0.0 123.256 -174.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.252 5.5 mm . . . . . 0 CA--C 1.549 0.909 0 CA-C-N 124.396 3.271 . . . . 0.0 111.43 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 CA--C 1.611 3.324 0 CA-C-O 118.171 -0.919 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -42.31 -41.42 3.95 Favored Glycine 0 C--N 1.378 2.873 0 CA-C-N 122.678 2.49 . . . . 0.0 117.051 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -56.5 -53.53 56.37 Favored 'General case' 0 CA--C 1.585 2.3 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -55.39 -44.88 76.54 Favored 'General case' 0 N--CA 1.507 2.377 0 C-N-CA 124.361 1.065 . . . . 0.0 111.619 171.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.0 tp -58.75 -54.44 47.04 Favored 'General case' 0 CA--C 1.566 1.591 0 CA-C-O 116.755 -1.593 . . . . 0.0 111.171 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.509 2.482 0 CA-C-N 121.588 1.994 . . . . 0.0 112.539 177.792 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.521 3.093 0 N-CA-C 120.13 3.382 . . . . 0.0 120.13 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -44.27 -23.17 0.09 Allowed 'General case' 0 CA--C 1.612 3.352 0 CA-C-N 123.004 2.638 . . . . 0.0 115.934 170.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -52.92 -37.77 61.19 Favored 'General case' 0 C--N 1.373 1.596 0 C-N-CA 126.877 2.071 . . . . 0.0 112.371 173.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.1 tp -59.82 -49.74 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 CA-C-N 122.702 2.501 . . . . 0.0 111.98 178.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -73.36 -48.03 37.44 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -67.72 -42.61 81.66 Favored 'General case' 0 CA--C 1.562 1.421 0 CA-C-O 115.786 -2.054 . . . . 0.0 112.553 176.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.57 -41.09 76.31 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 123.472 2.851 . . . . 0.0 113.139 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.513 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 11.9 t80 -69.29 -45.8 68.75 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 122.213 2.279 . . . . 0.0 111.102 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . 0.283 5.1 mmtt -66.01 -31.27 72.08 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-N 121.205 1.82 . . . . 0.0 112.72 -178.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 pp -71.64 -30.92 66.29 Favored 'General case' 0 CA--C 1.581 2.16 0 CA-C-N 122.983 2.629 . . . . 0.0 111.524 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -47.27 83.8 Favored 'General case' 0 CA--C 1.567 1.614 0 C-N-CA 124.564 1.146 . . . . 0.0 113.072 174.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -84.64 63.7 8.08 Favored 'General case' 0 CA--C 1.596 2.748 0 CA-C-N 119.949 1.25 . . . . 0.0 112.166 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -49.96 -19.55 0.73 Allowed 'General case' 0 N--CA 1.519 2.984 0 O-C-N 118.379 -2.7 . . . . 0.0 116.808 177.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -85.62 -3.08 58.78 Favored 'General case' 0 CA--C 1.591 2.555 0 CA-C-N 121.18 1.809 . . . . 0.0 112.625 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 80.67 -20.64 0.37 Allowed 'General case' 0 N--CA 1.514 2.754 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.484 ' HG1' ' N ' ' A' ' 119' ' ' GLY . 26.9 p -52.53 -39.57 61.54 Favored 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 127.394 2.278 . . . . 0.0 113.75 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.484 ' N ' ' HG1' ' A' ' 118' ' ' THR . . . 80.62 59.8 2.44 Favored Glycine 0 C--N 1.346 1.133 0 N-CA-C 118.17 2.028 . . . . 0.0 118.17 177.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -152.81 114.7 4.34 Favored 'General case' 0 CA--C 1.564 1.488 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.2 mp -99.87 127.69 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.433 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.4 p -107.59 172.61 6.73 Favored 'General case' 0 CA--C 1.576 1.944 0 CA-C-N 113.136 -1.847 . . . . 0.0 109.024 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -56.76 -34.38 67.52 Favored 'General case' 0 N--CA 1.507 2.42 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -63.49 -40.19 96.44 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.325 -0.859 . . . . 0.0 112.443 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.05 -35.08 79.58 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-O 117.721 -1.133 . . . . 0.0 108.856 174.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 44.9 mt -54.16 -47.16 72.27 Favored 'General case' 0 N--CA 1.506 2.353 0 CA-C-N 121.271 1.851 . . . . 0.0 110.508 172.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -56.13 -47.03 78.93 Favored 'General case' 0 N--CA 1.503 2.208 0 C-N-CA 123.427 0.691 . . . . 0.0 111.534 174.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -58.24 -50.7 72.65 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.494 -0.754 . . . . 0.0 112.048 174.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.9 t -65.53 -34.28 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.437 0 O-C-N 121.027 -1.046 . . . . 0.0 111.698 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.92 86.28 Favored 'General case' 0 CA--C 1.573 1.86 0 CA-C-N 119.485 1.039 . . . . 0.0 111.324 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -65.29 -39.98 93.26 Favored 'General case' 0 CA--C 1.586 2.344 0 CA-C-N 120.898 1.681 . . . . 0.0 111.484 173.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.34 -51.98 65.0 Favored 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 177.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.464 1.0 OUTLIER -54.48 -52.79 60.77 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 128.473 2.709 . . . . 0.0 115.823 173.107 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.55 -37.54 3.76 Favored Glycine 0 N--CA 1.486 2.005 0 CA-C-N 114.973 -1.012 . . . . 0.0 115.054 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -82.01 89.7 6.44 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-O 122.41 1.1 . . . . 0.0 108.972 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -91.75 109.48 20.8 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 121.656 0.741 . . . . 0.0 110.979 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.2 -109.09 0.03 OUTLIER 'General case' 0 CA--C 1.563 1.475 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.03 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.8 t -154.49 161.82 41.47 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 124.763 2.22 . . . . 0.0 108.357 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -42.83 -50.12 5.72 Favored 'General case' 0 CA--C 1.568 1.673 0 CA-C-N 111.571 -2.559 . . . . 0.0 117.249 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -63.41 -41.66 98.72 Favored 'General case' 0 CA--C 1.569 1.674 0 C-N-CA 125.652 1.581 . . . . 0.0 113.599 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -61.11 -54.72 41.09 Favored 'General case' 0 CA--C 1.58 2.113 0 C-N-CA 123.795 0.838 . . . . 0.0 110.398 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 10.7 mt -56.41 -39.1 72.49 Favored 'General case' 0 CA--C 1.576 1.944 0 O-C-N 120.681 -1.262 . . . . 0.0 112.918 174.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -68.22 -42.35 79.93 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-O 116.356 -1.783 . . . . 0.0 110.841 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.0 -37.83 77.8 Favored 'General case' 0 CA--C 1.578 2.039 0 CA-C-N 121.104 1.775 . . . . 0.0 110.146 174.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -43.52 95.83 Favored 'General case' 0 N--CA 1.506 2.345 0 CA-C-N 121.107 1.776 . . . . 0.0 110.796 172.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.4 mm -56.93 -52.1 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 C-N-CA 123.942 0.897 . . . . 0.0 109.892 172.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -51.07 -39.55 56.28 Favored 'General case' 0 CA--C 1.566 1.578 0 C-N-CA 125.01 1.324 . . . . 0.0 114.256 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -51.83 49.45 Favored 'General case' 0 N--CA 1.506 2.351 0 CA-C-O 122.349 1.071 . . . . 0.0 110.487 173.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.78 -41.6 95.72 Favored 'General case' 0 CA--C 1.575 1.911 0 N-CA-C 120.267 3.432 . . . . 0.0 120.267 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -61.21 72.04 0.01 OUTLIER 'General case' 0 CA--C 1.598 2.804 0 N-CA-C 118.505 2.78 . . . . 0.0 118.505 -176.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -32.3 60.26 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 117.741 -3.1 . . . . 0.0 116.544 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -69.05 -33.27 73.31 Favored 'General case' 0 CA--C 1.579 2.081 0 CA-C-O 118.403 -0.808 . . . . 0.0 113.038 175.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 97.97 -9.43 63.68 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 120.305 2.882 . . . . 0.0 120.305 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -87.59 -34.39 18.55 Favored 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 120.481 2.14 . . . . 0.0 113.978 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 138.97 34.76 0.16 Allowed Glycine 0 CA--C 1.551 2.299 0 N-CA-C 116.756 1.462 . . . . 0.0 116.756 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -160.05 142.2 13.11 Favored 'General case' 0 CA--C 1.574 1.898 0 CA-C-N 119.47 1.635 . . . . 0.0 112.233 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 4.4 t -99.95 127.14 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.463 0 C-N-CA 125.167 1.387 . . . . 0.0 110.79 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.417 ' H ' ' CD ' ' A' ' 161' ' ' GLU . 70.8 p -100.03 175.28 5.81 Favored 'General case' 0 CA--C 1.568 1.653 0 N-CA-C 116.329 1.974 . . . . 0.0 116.329 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -52.64 -50.12 63.8 Favored 'General case' 0 N--CA 1.511 2.588 0 CA-C-O 117.714 -1.136 . . . . 0.0 113.129 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.469 ' HA ' ' CD1' ' A' ' 163' ' ' LEU . 0.0 OUTLIER -63.87 -30.81 71.86 Favored 'General case' 0 CA--C 1.563 1.453 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' A' ' 158' ' ' SER . 0.0 OUTLIER -79.95 -25.21 40.52 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 119.412 1.006 . . . . 0.0 111.605 176.15 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.513 ' CE1' ' HB3' ' A' ' 110' ' ' PHE 0.256 0.0 OUTLIER -65.68 -60.1 3.25 Favored 'General case' 0 CA--C 1.557 1.224 0 CA-C-N 120.504 1.502 . . . . 0.0 109.365 175.426 . . . . . . . . 4 4 . 1 . 005 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 160' ' ' GLN . 0.4 OUTLIER -80.32 -60.04 2.47 Favored 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 178.46 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . 0.451 ' H ' HD11 ' A' ' 163' ' ' LEU . 0.7 OUTLIER -80.08 -19.91 46.39 Favored 'General case' 0 CA--C 1.582 2.191 0 N-CA-C 119.298 3.073 . . . . 0.0 119.298 -178.007 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.254 7.8 tp . . . . . 0 N--CA 1.517 2.899 0 CA-C-N 123.394 2.816 . . . . 0.0 117.595 -176.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 . . . . . 0 N--CA 1.507 2.402 0 N-CA-C 119.495 3.146 . . . . 0.0 119.495 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -53.74 -36.07 54.04 Favored Glycine 0 N--CA 1.506 3.365 0 CA-C-N 120.807 1.639 . . . . 0.0 115.764 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -69.05 -59.89 2.73 Favored 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 125.741 1.616 . . . . 0.0 111.428 176.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -50.44 -46.77 56.76 Favored 'General case' 0 N--CA 1.506 2.372 0 CA-C-N 120.443 1.474 . . . . 0.0 113.428 176.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.6 tp -65.02 -50.45 66.2 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-O 117.587 -1.197 . . . . 0.0 111.954 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.509 2.514 0 CA-C-N 120.523 1.511 . . . . 0.0 113.259 178.039 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.344 0.0 OUTLIER . . . . . 0 N--CA 1.509 2.512 0 CA-C-O 115.869 -2.015 . . . . 0.0 114.779 . . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.437 ' CD ' ' HZ1' ' A' ' 108' ' ' LYS . 4.1 mm-40 -42.97 -27.04 0.16 Allowed 'General case' 0 CA--C 1.595 2.691 0 CA-C-N 123.766 2.985 . . . . 0.0 117.03 172.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.22 -30.4 70.31 Favored 'General case' 0 C--N 1.362 1.133 0 CA-C-O 115.253 -2.308 . . . . 0.0 113.872 176.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.34 -46.76 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 CA-C-N 125.207 3.639 . . . . 0.0 112.16 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.61 -50.89 32.29 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . 0.437 ' HZ1' ' CD ' ' A' ' 104' ' ' GLU . 57.3 mttp -67.02 -42.39 84.99 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-O 116.931 -1.509 . . . . 0.0 112.653 178.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.21 88.38 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-O 115.372 -2.252 . . . . 0.0 112.458 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.433 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.3 t80 -65.29 -47.06 77.94 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-N 122.482 2.401 . . . . 0.0 111.919 177.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -65.08 -35.51 81.38 Favored 'General case' 0 CA--C 1.577 2.006 0 CA-C-N 120.363 1.438 . . . . 0.0 112.941 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.7 pp -74.56 -22.81 58.81 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 122.275 2.307 . . . . 0.0 113.145 172.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -39.14 92.53 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 175.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.21 63.12 0.98 Allowed 'General case' 0 CA--C 1.587 2.387 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.72 -19.03 0.02 OUTLIER 'General case' 0 CA--C 1.596 2.742 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 173.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -79.62 -18.66 51.04 Favored 'General case' 0 CA--C 1.588 2.425 0 CA-C-N 120.452 1.478 . . . . 0.0 111.092 175.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 68.43 58.68 0.42 Allowed 'General case' 0 CA--C 1.581 2.162 0 CA-C-O 125.951 2.786 . . . . 0.0 112.097 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 42.5 p -133.6 -26.36 1.61 Allowed 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 111.691 -2.504 . . . . 0.0 112.121 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 84.55 41.7 7.69 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 117.206 1.642 . . . . 0.0 117.206 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.88 130.63 10.81 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.1 mp -99.85 122.27 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 CA-C-O 123.553 1.645 . . . . 0.0 107.612 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 69.8 p -99.99 165.6 11.46 Favored 'General case' 0 CA--C 1.584 2.287 0 CA-C-N 111.9 -2.409 . . . . 0.0 106.157 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -54.68 -32.37 59.28 Favored 'General case' 0 N--CA 1.511 2.613 0 O-C-N 119.725 -1.86 . . . . 0.0 114.935 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -42.49 98.03 Favored 'General case' 0 CA--C 1.569 1.709 0 O-C-N 121.088 -1.008 . . . . 0.0 112.468 177.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -66.87 -35.36 79.86 Favored 'General case' 0 CA--C 1.585 2.319 0 CA-C-N 120.274 1.397 . . . . 0.0 109.002 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.6 mt -52.43 -46.75 66.52 Favored 'General case' 0 N--CA 1.508 2.453 0 CA-C-N 121.427 1.921 . . . . 0.0 110.431 172.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -58.58 -47.93 82.64 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 123.781 0.832 . . . . 0.0 112.665 174.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 -56.18 -52.23 65.13 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 6.5 t -67.79 -34.48 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.31 0 CA-C-O 118.098 -0.954 . . . . 0.0 111.899 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.38 -53.39 56.75 Favored 'General case' 0 CA--C 1.575 1.912 0 CA-C-N 120.397 1.453 . . . . 0.0 110.135 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -70.05 -42.04 73.42 Favored 'General case' 0 CA--C 1.574 1.897 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -67.39 -20.04 65.49 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.8 mt -68.12 -70.44 0.26 Allowed 'General case' 0 CA--C 1.567 1.596 0 CA-C-N 120.381 1.446 . . . . 0.0 111.309 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 177.6 -47.21 0.1 OUTLIER Glycine 0 N--CA 1.492 2.385 0 N-CA-C 116.694 1.438 . . . . 0.0 116.694 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.23 120.27 5.77 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 105.058 -2.201 . . . . 0.0 105.058 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.32 169.46 8.85 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 118.556 2.799 . . . . 0.0 118.556 -176.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.37 -115.99 0.06 Allowed 'General case' 0 CA--C 1.569 1.695 0 CA-C-N 111.677 -2.511 . . . . 0.0 109.379 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.8 t -155.81 168.8 26.04 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 122.766 2.53 . . . . 0.0 112.605 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -41.02 -53.4 3.0 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 116.727 2.121 . . . . 0.0 116.727 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.5 -41.4 98.79 Favored 'General case' 0 CA--C 1.569 1.707 0 C-N-CA 125.57 1.548 . . . . 0.0 113.741 178.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . 0.253 11.4 tp10 -62.17 -50.84 70.21 Favored 'General case' 0 CA--C 1.581 2.142 0 C-N-CA 123.969 0.908 . . . . 0.0 109.767 175.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 3.1 mp -57.03 -37.58 71.94 Favored 'General case' 0 CA--C 1.563 1.461 0 O-C-N 120.022 -1.674 . . . . 0.0 113.349 172.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.25 24.5 tp60 -69.24 -35.86 76.58 Favored 'General case' 0 CA--C 1.562 1.416 0 CA-C-O 116.802 -1.571 . . . . 0.0 110.746 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -65.78 -37.43 86.28 Favored 'General case' 0 CA--C 1.583 2.219 0 CA-C-N 121.008 1.731 . . . . 0.0 109.157 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 36.6 mmt -56.37 -43.92 79.66 Favored 'General case' 0 CA--C 1.586 2.352 0 CA-C-N 120.519 1.508 . . . . 0.0 110.055 172.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 9.1 mm -61.26 -55.59 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 C-N-CA 124.973 1.309 . . . . 0.0 110.202 173.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -41.09 28.37 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -79.97 -36.61 35.85 Favored 'General case' 0 CA--C 1.588 2.44 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 176.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.81 51.41 Favored 'General case' 0 CA--C 1.577 2.016 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -81.32 56.71 2.97 Favored 'General case' 0 CA--C 1.582 2.178 0 O-C-N 120.123 -1.61 . . . . 0.0 111.589 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -30.2 67.79 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 118.402 2.742 . . . . 0.0 118.402 -177.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.63 -34.08 64.83 Favored 'General case' 0 CA--C 1.588 2.436 0 C-N-CA 123.246 0.618 . . . . 0.0 111.133 174.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 93.73 50.0 2.41 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 120.442 2.937 . . . . 0.0 120.442 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -130.0 14.34 5.76 Favored 'General case' 0 CA--C 1.593 2.601 0 CA-C-O 117.778 -1.106 . . . . 0.0 113.408 177.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 78.99 15.56 80.41 Favored Glycine 0 N--CA 1.503 3.113 0 CA-C-N 123.923 3.056 . . . . 0.0 117.323 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -159.86 148.86 17.65 Favored 'General case' 0 CA--C 1.571 1.779 0 CA-C-O 123.263 1.506 . . . . 0.0 111.179 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 10.2 t -99.83 119.43 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 75.7 m -99.96 173.5 6.63 Favored 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 122.603 1.192 . . . . 0.0 112.423 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -54.43 -47.65 72.59 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 117.068 -1.444 . . . . 0.0 114.301 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -36.05 72.46 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 122.225 2.284 . . . . 0.0 114.806 176.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.307 6.5 tp10 -76.33 -30.07 57.52 Favored 'General case' 0 CA--C 1.596 2.73 0 CA-C-N 122.611 2.46 . . . . 0.0 110.176 174.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -59.95 -57.09 14.38 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 121.963 2.165 . . . . 0.0 112.272 175.69 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.9 pp -80.18 -45.98 17.14 Favored 'General case' 0 CA--C 1.571 1.778 0 CA-C-O 118.095 -0.955 . . . . 0.0 113.341 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -21.2 43.81 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 N--CA 1.518 2.93 0 N-CA-C 118.255 2.687 . . . . 0.0 118.255 -178.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.515 2.787 0 N-CA-C 119.282 3.067 . . . . 0.0 119.282 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.402 ' O ' ' OG1' ' A' ' 91' ' ' THR . . . -47.73 -37.33 14.24 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 117.31 1.684 . . . . 0.0 117.31 178.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -53.23 59.16 Favored 'General case' 0 CA--C 1.567 1.606 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.471 176.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -60.54 -43.1 97.56 Favored 'General case' 0 CA--C 1.585 2.301 0 CA-C-N 119.484 1.038 . . . . 0.0 111.783 176.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 34.7 tp -62.25 -44.73 95.9 Favored 'General case' 0 CA--C 1.572 1.797 0 C-N-CA 123.687 0.795 . . . . 0.0 112.574 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 87' ' ' GLY . 8.2 m . . . . . 0 N--CA 1.499 1.984 0 C-N-CA 124.03 0.932 . . . . 0.0 112.545 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.579 2.078 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.354 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 67.43 -47.37 0.49 Allowed 'General case' 0 N--CA 1.528 3.449 0 CA-C-N 121.428 1.922 . . . . 0.0 112.836 -174.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -62.4 -22.3 66.04 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 116.777 -1.582 . . . . 0.0 113.527 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.7 tt -53.95 -40.03 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.616 0 CA-C-N 122.866 2.575 . . . . 0.0 111.133 172.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.407 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 0.2 OUTLIER -69.91 -47.06 63.92 Favored 'General case' 0 CA--C 1.56 1.352 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 179.487 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -68.83 -41.08 79.05 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 117.663 -1.161 . . . . 0.0 112.106 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.56 -43.07 86.02 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-N 121.09 1.768 . . . . 0.0 113.168 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.448 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.5 t80 -69.44 -45.08 69.94 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 120.68 1.582 . . . . 0.0 111.373 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -32.27 73.46 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-N 120.529 1.513 . . . . 0.0 111.9 177.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.9 mt -76.41 -20.0 57.56 Favored 'General case' 0 CA--C 1.584 2.255 0 CA-C-N 121.897 2.135 . . . . 0.0 111.944 173.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -63.26 -48.34 78.58 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 122.333 2.333 . . . . 0.0 111.301 171.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.9 81.65 2.16 Favored 'General case' 0 CA--C 1.591 2.552 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -42.59 -21.05 0.02 OUTLIER 'General case' 0 N--CA 1.538 3.973 0 CA-C-N 122.601 2.455 . . . . 0.0 114.942 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -89.32 -22.16 22.78 Favored 'General case' 0 CA--C 1.577 2.015 0 O-C-N 120.148 -1.595 . . . . 0.0 112.66 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 76.55 15.66 2.11 Favored 'General case' 0 CA--C 1.582 2.176 0 CA-C-N 120.916 1.689 . . . . 0.0 115.06 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.4 t -85.69 -28.37 24.72 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 125.532 1.533 . . . . 0.0 110.929 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 78.55 71.78 1.21 Allowed Glycine 0 C--N 1.362 1.998 0 N-CA-C 118.45 2.14 . . . . 0.0 118.45 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.04 109.93 1.83 Allowed 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 124.263 1.025 . . . . 0.0 109.572 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.5 mp -110.18 131.86 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 CA-C-O 122.933 1.349 . . . . 0.0 109.101 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.0 p -107.99 174.86 5.69 Favored 'General case' 0 CA--C 1.58 2.134 0 CA-C-O 124.246 1.974 . . . . 0.0 107.487 174.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -50.89 -40.7 57.28 Favored 'General case' 0 N--CA 1.509 2.511 0 N-CA-C 117.214 2.302 . . . . 0.0 117.214 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -59.67 -46.01 90.35 Favored 'General case' 0 CA--C 1.58 2.116 0 C-N-CA 124.128 0.971 . . . . 0.0 113.476 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -30.22 68.0 Favored 'General case' 0 N--CA 1.511 2.62 0 O-C-N 120.523 -1.361 . . . . 0.0 109.418 175.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 73.2 mt -58.64 -36.81 74.7 Favored 'General case' 0 CA--C 1.6 2.868 0 CA-C-N 122.009 2.186 . . . . 0.0 110.342 171.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -60.69 -45.96 92.17 Favored 'General case' 0 N--CA 1.503 2.191 0 C-N-CA 124.598 1.159 . . . . 0.0 109.828 172.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -54.29 -49.16 70.27 Favored 'General case' 0 N--CA 1.507 2.418 0 CA-C-N 119.517 1.053 . . . . 0.0 113.189 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.98 -45.45 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.999 0 C-N-CA 124.194 0.998 . . . . 0.0 111.561 177.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.36 82.18 Favored 'General case' 0 CA--C 1.575 1.938 0 CA-C-N 118.726 0.693 . . . . 0.0 112.449 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -67.73 -52.37 38.41 Favored 'General case' 0 CA--C 1.577 1.981 0 N-CA-C 115.802 1.778 . . . . 0.0 115.802 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -79.98 -19.99 46.54 Favored 'General case' 0 N--CA 1.49 1.552 1 N-CA-C 122.056 4.095 . . . . 0.0 122.056 -174.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.5 mt -90.44 -87.87 0.18 Allowed 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 116.925 2.195 . . . . 0.0 116.925 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -125.23 -37.75 0.52 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 117.605 1.802 . . . . 0.0 117.605 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -157.36 130.65 7.82 Favored 'General case' 0 N--CA 1.502 2.128 0 CA-C-N 119.898 1.849 . . . . 0.0 113.804 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -82.37 103.33 11.86 Favored 'General case' 0 CA--C 1.565 1.534 0 O-C-N 120.932 -1.105 . . . . 0.0 113.76 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -76.12 177.4 7.17 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-O 122.115 0.96 . . . . 0.0 112.992 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.4 t -96.4 157.65 15.8 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 122.887 1.327 . . . . 0.0 110.063 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -41.49 -51.68 3.81 Favored 'General case' 0 CA--C 1.572 1.82 0 N-CA-C 117.39 2.367 . . . . 0.0 117.39 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.65 -47.17 87.44 Favored 'General case' 0 CA--C 1.573 1.838 0 C-N-CA 125.454 1.502 . . . . 0.0 112.668 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -58.11 -52.18 66.64 Favored 'General case' 0 CA--C 1.581 2.146 0 C-N-CA 124.143 0.977 . . . . 0.0 111.883 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.53 -34.39 72.58 Favored 'General case' 0 CA--C 1.569 1.687 0 O-C-N 120.504 -1.372 . . . . 0.0 112.597 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -68.87 -37.25 78.95 Favored 'General case' 0 CA--C 1.565 1.544 0 CA-C-O 117.421 -1.276 . . . . 0.0 110.42 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.8 -36.58 84.36 Favored 'General case' 0 CA--C 1.587 2.391 0 CA-C-N 120.5 1.5 . . . . 0.0 109.371 172.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.7 mmt -59.92 -42.37 93.76 Favored 'General case' 0 CA--C 1.588 2.44 0 O-C-N 119.908 -1.745 . . . . 0.0 110.188 172.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.6 mm -59.66 -56.11 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 C-N-CA 124.462 1.105 . . . . 0.0 109.123 173.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -41.13 20.48 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -76.17 -48.3 21.01 Favored 'General case' 0 CA--C 1.583 2.237 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.81 -37.78 80.14 Favored 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 117.527 2.417 . . . . 0.0 117.527 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -70.55 53.02 0.14 Allowed 'General case' 0 CA--C 1.589 2.466 0 C-N-CA 126.508 1.923 . . . . 0.0 114.427 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -50.93 -30.1 13.91 Favored 'General case' 0 CA--C 1.573 1.845 0 O-C-N 118.875 -2.391 . . . . 0.0 116.435 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -71.19 -42.93 68.37 Favored 'General case' 0 CA--C 1.586 2.34 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.832 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 119.6 -8.31 12.0 Favored Glycine 0 N--CA 1.496 2.635 1 N-CA-C 124.657 4.623 . . . . 0.0 124.657 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -87.03 -27.47 23.18 Favored 'General case' 0 N--CA 1.506 2.348 0 CA-C-N 122.912 3.356 . . . . 0.0 115.697 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 129.13 26.4 0.91 Allowed Glycine 0 CA--C 1.553 2.42 0 N-CA-C 117.142 1.617 . . . . 0.0 117.142 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -160.01 148.43 17.13 Favored 'General case' 0 CA--C 1.576 1.978 0 CA-C-N 118.816 1.308 . . . . 0.0 108.687 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.7 t -99.87 122.23 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.206 0 O-C-N 120.227 -1.546 . . . . 0.0 109.644 -173.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 87.1 p -99.93 171.55 7.78 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-O 122.898 1.333 . . . . 0.0 113.579 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.256 0.0 OUTLIER -54.98 -44.78 74.74 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 117.254 -1.355 . . . . 0.0 113.247 177.178 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.401 ' HA ' ' CD1' ' A' ' 163' ' ' LEU . 0.0 OUTLIER -63.44 -37.05 85.78 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 121.757 2.072 . . . . 0.0 113.001 178.018 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -79.27 -19.88 49.46 Favored 'General case' 0 CA--C 1.58 2.119 0 CA-C-N 121.486 1.948 . . . . 0.0 113.12 175.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.0 OUTLIER -66.42 -57.06 8.2 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 121.258 1.844 . . . . 0.0 109.92 174.22 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 160' ' ' GLN . 0.4 OUTLIER -80.13 -56.7 4.04 Favored 'General case' 0 CA--C 1.575 1.911 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.12 -19.83 46.42 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 118.726 2.862 . . . . 0.0 118.726 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.257 5.9 tp . . . . . 0 N--CA 1.513 2.711 0 N-CA-C 118.141 2.645 . . . . 0.0 118.141 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 . . . . . 0 N--CA 1.504 2.26 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -46.75 -40.49 12.05 Favored Glycine 0 N--CA 1.501 3.015 0 CA-C-N 121.997 2.18 . . . . 0.0 117.044 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -65.31 -51.2 62.18 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 124.799 1.24 . . . . 0.0 110.367 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -59.85 -39.44 85.17 Favored 'General case' 0 N--CA 1.505 2.286 0 C-N-CA 124.355 1.062 . . . . 0.0 111.659 173.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.94 -52.8 54.37 Favored 'General case' 0 CA--C 1.562 1.435 0 O-C-N 120.617 -1.302 . . . . 0.0 110.879 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.499 2.005 0 CA-C-N 119.522 1.056 . . . . 0.0 112.777 176.101 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER . . . . . 0 N--CA 1.512 2.647 0 CA-C-O 117.583 -1.198 . . . . 0.0 109.379 . . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 68.72 -58.27 0.49 Allowed 'General case' 0 N--CA 1.536 3.847 0 CA-C-N 123.406 2.821 . . . . 0.0 110.295 -173.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.1 -42.37 28.75 Favored 'General case' 0 CA--C 1.568 1.635 0 C-N-CA 127.962 2.505 . . . . 0.0 112.826 173.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.9 tt -61.7 -45.09 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 CA-C-N 118.521 0.6 . . . . 0.0 111.978 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 5.5 mt -70.56 -41.33 72.6 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -67.5 -43.88 79.8 Favored 'General case' 0 CA--C 1.567 1.631 0 CA-C-O 117.209 -1.377 . . . . 0.0 111.765 175.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.47 93.38 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 121.648 2.022 . . . . 0.0 114.432 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.476 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 5.1 t80 -69.82 -42.68 73.35 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 120.058 1.299 . . . . 0.0 111.77 176.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -63.9 -37.73 88.46 Favored 'General case' 0 CA--C 1.578 2.039 0 CA-C-O 116.998 -1.477 . . . . 0.0 110.803 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.25 -29.16 67.01 Favored 'General case' 0 CA--C 1.581 2.148 0 CA-C-N 122.26 2.3 . . . . 0.0 112.068 173.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -39.8 70.48 Favored 'General case' 0 CA--C 1.583 2.215 0 C-N-CA 124.627 1.171 . . . . 0.0 112.589 173.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -99.37 80.74 2.44 Favored 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -15.99 0.58 Allowed 'General case' 0 N--CA 1.513 2.721 0 CA-C-N 123.785 2.993 . . . . 0.0 116.901 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -85.55 3.01 42.49 Favored 'General case' 0 CA--C 1.591 2.548 0 CA-C-N 121.997 2.18 . . . . 0.0 111.252 175.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.262 35.1 tt0 69.3 -1.45 2.17 Favored 'General case' 0 N--CA 1.505 2.297 0 N-CA-C 118.599 2.814 . . . . 0.0 118.599 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.7 p -68.16 -42.36 80.17 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.498 1.519 . . . . 0.0 110.755 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.87 69.18 1.32 Allowed Glycine 0 C--N 1.348 1.209 0 CA-C-O 118.762 -1.021 . . . . 0.0 115.348 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.43 109.94 6.63 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 118.062 0.931 . . . . 0.0 110.87 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.9 mp -116.39 133.24 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 CA-C-O 122.834 1.302 . . . . 0.0 108.987 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.6 p -112.16 167.87 10.06 Favored 'General case' 0 CA--C 1.578 2.055 0 CA-C-N 113.736 -1.575 . . . . 0.0 107.917 173.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.47 -43.48 45.12 Favored 'General case' 0 N--CA 1.522 3.161 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -54.54 -43.68 72.18 Favored 'General case' 0 CA--C 1.575 1.941 0 CA-C-N 114.134 -1.394 . . . . 0.0 113.436 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -69.53 -34.65 74.56 Favored 'General case' 0 CA--C 1.586 2.345 0 CA-C-O 117.253 -1.356 . . . . 0.0 109.239 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 76.2 mt -53.52 -44.92 69.51 Favored 'General case' 0 N--CA 1.51 2.548 0 CA-C-N 122.262 2.301 . . . . 0.0 110.021 171.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -56.58 -49.76 73.94 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 119.565 1.075 . . . . 0.0 111.328 173.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -56.87 -52.0 66.84 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 119.01 -0.519 . . . . 0.0 111.766 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.57 -32.37 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.537 0 C-N-CA 124.142 0.977 . . . . 0.0 112.898 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.39 -55.56 33.5 Favored 'General case' 0 CA--C 1.565 1.549 0 CA-C-O 118.153 -0.927 . . . . 0.0 109.742 174.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . 0.429 ' HZ2' ' CD ' ' A' ' 132' ' ' GLU . 0.0 OUTLIER -72.51 -22.85 60.97 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-N 119.984 1.265 . . . . 0.0 114.394 175.636 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.429 ' CD ' ' HZ2' ' A' ' 131' ' ' LYS . 0.6 OUTLIER -79.62 -32.44 41.77 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 178.849 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.0 mt -70.73 -77.98 0.08 Allowed 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 119.992 1.269 . . . . 0.0 112.967 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 178.96 -37.59 0.08 OUTLIER Glycine 0 N--CA 1.491 2.353 0 N-CA-C 120.191 2.836 . . . . 0.0 120.191 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -144.5 95.57 2.73 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 119.273 1.537 . . . . 0.0 109.17 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -105.88 169.4 8.51 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 117.857 2.54 . . . . 0.0 117.857 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.58 -122.76 0.11 Allowed 'General case' 0 CA--C 1.575 1.914 0 CA-C-N 113.704 -1.589 . . . . 0.0 110.496 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.8 t -141.53 170.53 15.55 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-O 124.627 2.156 . . . . 0.0 108.639 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -40.04 -54.15 2.29 Favored 'General case' 0 CA--C 1.577 2.016 0 CA-C-N 112.113 -2.312 . . . . 0.0 116.232 176.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.44 -43.85 93.05 Favored 'General case' 0 CA--C 1.572 1.794 0 C-N-CA 125.961 1.705 . . . . 0.0 113.011 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -60.17 -49.84 76.06 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-N 118.704 0.684 . . . . 0.0 110.488 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.8 mp -56.88 -41.0 77.26 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 120.363 1.438 . . . . 0.0 113.433 174.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -64.68 -34.6 78.68 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-N 119.747 1.158 . . . . 0.0 110.915 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.36 -39.29 93.59 Favored 'General case' 0 CA--C 1.588 2.43 0 CA-C-N 120.537 1.517 . . . . 0.0 109.694 171.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.0 mmt -59.3 -35.09 73.13 Favored 'General case' 0 CA--C 1.581 2.135 0 O-C-N 120.915 -1.115 . . . . 0.0 111.282 173.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 9.7 mm -66.81 -58.8 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 CA-C-O 117.185 -1.388 . . . . 0.0 108.195 173.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -51.31 -48.24 62.38 Favored 'General case' 0 N--CA 1.504 2.259 0 CA-C-N 120.173 1.351 . . . . 0.0 112.238 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -60.58 -39.08 86.74 Favored 'General case' 0 CA--C 1.589 2.461 0 CA-C-N 120.38 1.445 . . . . 0.0 113.286 174.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -71.22 -47.09 59.35 Favored 'General case' 0 CA--C 1.583 2.238 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.94 35.3 0.13 Allowed 'General case' 0 CA--C 1.575 1.906 0 N-CA-C 117.255 2.317 . . . . 0.0 117.255 -178.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -30.33 60.16 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 118.659 2.837 . . . . 0.0 118.659 -175.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.94 39.72 3.9 Favored 'General case' 0 CA--C 1.589 2.48 0 C-N-CA 123.816 0.846 . . . . 0.0 109.389 173.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -127.89 -91.07 0.7 Allowed Glycine 0 C--N 1.371 2.524 0 CA-C-O 116.804 -2.109 . . . . 0.0 110.913 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 21.2 t70 168.16 -48.6 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.488 0 CA-C-N 120.055 1.928 . . . . 0.0 110.953 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -169.1 10.76 0.05 OUTLIER Glycine 0 CA--C 1.562 2.983 0 N-CA-C 119.447 2.539 . . . . 0.0 119.447 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -155.74 139.8 16.42 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 103.352 -2.832 . . . . 0.0 103.352 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.73 122.22 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 120.344 -1.472 . . . . 0.0 113.14 -169.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 158' ' ' SER . . . . . 0.455 ' H ' ' CD ' ' A' ' 161' ' ' GLU . 8.9 t -100.01 167.32 10.56 Favored 'General case' 0 CA--C 1.57 1.729 0 CA-C-O 123.194 1.473 . . . . 0.0 108.714 176.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.307 9.0 pt-20 -53.87 -39.18 65.47 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 116.059 -1.924 . . . . 0.0 116.034 -177.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.82 -46.33 89.94 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-N 123.63 2.923 . . . . 0.0 114.263 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' A' ' 158' ' ' SER . 10.4 pm0 -70.12 -23.1 62.97 Favored 'General case' 0 CA--C 1.579 2.065 0 CA-C-N 122.246 2.294 . . . . 0.0 112.552 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.476 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -65.89 -57.65 7.4 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.444 1.498 . . . . 0.0 113.577 175.694 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.8 pp -80.01 -35.26 37.59 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 9.1 mtp-105 -75.96 -58.37 3.32 Favored 'General case' 0 CA--C 1.566 1.594 0 CA-C-N 121.392 1.905 . . . . 0.0 111.583 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.262 9.5 tp . . . . . 0 N--CA 1.51 2.556 0 N-CA-C 118.371 2.73 . . . . 0.0 118.371 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 N--CA 1.515 2.792 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -48.88 -43.57 30.73 Favored Glycine 0 N--CA 1.5 2.963 0 CA-C-N 121.121 1.782 . . . . 0.0 115.968 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.3 -46.93 88.27 Favored 'General case' 0 CA--C 1.581 2.165 0 C-N-CA 124.314 1.046 . . . . 0.0 111.371 175.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -58.31 -37.38 74.97 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.75 -1.219 . . . . 0.0 112.208 173.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.12 -53.54 36.59 Favored 'General case' 0 CA--C 1.566 1.587 0 C-N-CA 124.496 1.118 . . . . 0.0 110.443 175.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.0 m . . . . . 0 N--CA 1.506 2.332 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 175.81 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.584 2.272 0 CA-C-O 115.506 -2.188 . . . . 0.0 111.911 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.3 -61.6 0.23 Allowed 'General case' 0 N--CA 1.535 3.815 0 CA-C-N 125.523 3.783 . . . . 0.0 111.415 -175.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -51.43 -30.77 20.55 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 128.416 2.686 . . . . 0.0 112.198 173.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.8 tt -55.26 -41.2 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.61 0 CA-C-N 121.94 2.154 . . . . 0.0 110.844 172.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.41 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 2.7 mp -68.27 -45.44 73.12 Favored 'General case' 0 CA--C 1.561 1.38 0 CA-C-O 118.937 -0.554 . . . . 0.0 112.255 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -46.32 81.29 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-O 117.854 -1.069 . . . . 0.0 111.202 174.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.5 -45.94 90.25 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 120.618 1.554 . . . . 0.0 114.231 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.412 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.1 t80 -67.53 -45.39 75.85 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 120.559 1.527 . . . . 0.0 111.375 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -33.4 75.81 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-O 116.857 -1.544 . . . . 0.0 113.343 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.2 pp -74.57 -28.66 61.03 Favored 'General case' 0 CA--C 1.573 1.844 0 CA-C-N 122.16 2.254 . . . . 0.0 111.55 171.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.64 -38.98 72.9 Favored 'General case' 0 CA--C 1.57 1.735 0 CA-C-N 119.381 0.992 . . . . 0.0 112.945 172.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -73.51 60.01 0.63 Allowed 'General case' 0 CA--C 1.584 2.256 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -56.52 -15.95 5.17 Favored 'General case' 0 CA--C 1.608 3.207 0 O-C-N 118.802 -2.436 . . . . 0.0 113.322 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -87.36 -17.1 33.13 Favored 'General case' 0 CA--C 1.576 1.956 0 C-N-CA 127.027 2.131 . . . . 0.0 113.858 176.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 68.98 18.81 8.35 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 72.7 p -84.5 -39.65 18.6 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 126.059 1.744 . . . . 0.0 110.92 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.42 43.29 6.24 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 116.366 1.306 . . . . 0.0 116.366 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.14 119.31 5.89 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-N 117.941 0.87 . . . . 0.0 110.419 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.1 mp -99.97 120.81 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 N-CA-C 105.111 -2.181 . . . . 0.0 105.111 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 59.6 p -99.96 163.25 12.52 Favored 'General case' 0 CA--C 1.583 2.237 0 CA-C-N 111.66 -2.518 . . . . 0.0 107.277 175.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -52.73 -39.26 61.94 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 119.888 -1.757 . . . . 0.0 115.198 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.6 -39.78 94.85 Favored 'General case' 0 CA--C 1.581 2.154 0 O-C-N 121.015 -1.053 . . . . 0.0 112.235 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.46 -35.97 81.61 Favored 'General case' 0 CA--C 1.581 2.149 0 O-C-N 120.455 -1.403 . . . . 0.0 109.222 174.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.5 mt -52.26 -45.78 65.56 Favored 'General case' 0 N--CA 1.503 2.22 0 CA-C-N 120.855 1.662 . . . . 0.0 110.03 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -56.84 -48.73 77.37 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.511 1.124 . . . . 0.0 111.502 173.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -52.62 -55.11 24.72 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-N 119.401 1.001 . . . . 0.0 111.904 175.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 33.1 t -67.18 -37.28 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.259 0 CA-C-O 118.584 -0.722 . . . . 0.0 112.733 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.08 82.63 Favored 'General case' 0 CA--C 1.568 1.668 0 CA-C-N 119.88 1.218 . . . . 0.0 113.544 176.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -27.25 40.72 Favored 'General case' 0 CA--C 1.578 2.026 0 CA-C-O 117.841 -1.076 . . . . 0.0 113.526 175.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.11 -26.38 39.54 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.3 mt -64.07 -73.56 0.12 Allowed 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -173.58 -39.78 0.04 OUTLIER Glycine 0 N--CA 1.49 2.243 0 N-CA-C 117.853 1.901 . . . . 0.0 117.853 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -142.65 104.29 4.35 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 119.348 1.574 . . . . 0.0 107.808 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -69.96 136.92 51.02 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.4 tp -95.39 -114.75 0.12 Allowed 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 118.079 -0.963 . . . . 0.0 109.161 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 14.9 t -152.28 158.2 42.45 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 121.735 2.061 . . . . 0.0 111.958 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -49.11 -45.66 43.72 Favored 'General case' 0 N--CA 1.512 2.675 0 CA-C-N 113.768 -1.56 . . . . 0.0 113.897 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.8 -46.69 88.45 Favored 'General case' 0 CA--C 1.578 2.032 0 C-N-CA 124.842 1.257 . . . . 0.0 113.326 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -57.52 -50.24 73.72 Favored 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 123.964 0.906 . . . . 0.0 112.213 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 11.3 mt -56.86 -40.65 76.54 Favored 'General case' 0 CA--C 1.574 1.883 0 C-N-CA 124.063 0.945 . . . . 0.0 112.195 175.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.486 HE22 ' CG2' ' A' ' 146' ' ' ILE 0.257 0.6 OUTLIER -67.89 -36.54 80.39 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-O 117.027 -1.464 . . . . 0.0 111.728 179.023 . . . . . . . . 4 4 . 1 . 009 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -62.69 -37.57 86.99 Favored 'General case' 0 CA--C 1.586 2.349 0 CA-C-N 121.578 1.99 . . . . 0.0 109.647 172.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.7 ttp -56.02 -44.92 79.18 Favored 'General case' 0 CA--C 1.587 2.383 0 O-C-N 120.237 -1.539 . . . . 0.0 111.164 172.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.486 ' CG2' HE22 ' A' ' 143' ' ' GLN . 24.4 mm -60.45 -55.0 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 C-N-CA 124.683 1.193 . . . . 0.0 109.658 173.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.36 -41.64 29.27 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -70.65 -43.32 69.43 Favored 'General case' 0 CA--C 1.588 2.439 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.44 -27.64 56.29 Favored 'General case' 0 CA--C 1.574 1.898 0 N-CA-C 119.852 3.278 . . . . 0.0 119.852 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.302 28.0 t70 -87.27 29.24 0.86 Allowed 'General case' 0 CA--C 1.581 2.147 0 N-CA-C 117.279 2.325 . . . . 0.0 117.279 -177.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -40.12 58.84 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 119.15 3.019 . . . . 0.0 119.15 -176.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.27 8.93 36.03 Favored 'General case' 0 CA--C 1.585 2.292 0 CA-C-O 116.69 -1.624 . . . . 0.0 113.747 178.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -143.06 -151.51 5.5 Favored Glycine 0 CA--C 1.571 3.567 0 CA-C-N 124.291 3.223 . . . . 0.0 112.938 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -123.8 -2.45 8.3 Favored 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 172.23 21.52 0.02 OUTLIER Glycine 0 N--CA 1.497 2.727 0 CA-C-N 123.183 2.719 . . . . 0.0 118.414 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -159.91 150.13 18.6 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 119.52 1.66 . . . . 0.0 109.709 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 4.0 t -99.86 122.21 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 120.795 -1.191 . . . . 0.0 107.818 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 83.6 p -99.94 173.37 6.7 Favored 'General case' 0 CA--C 1.559 1.29 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.62 -46.48 63.62 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -41.54 93.3 Favored 'General case' 0 CA--C 1.576 1.975 0 CA-C-N 120.346 1.43 . . . . 0.0 112.606 174.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -74.24 -19.91 60.35 Favored 'General case' 0 N--CA 1.509 2.476 0 CA-C-N 121.709 2.05 . . . . 0.0 113.822 176.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 1.2 t80 -66.82 -56.11 11.88 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 125.919 1.688 . . . . 0.0 109.432 173.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.06 -51.83 8.54 Favored 'General case' 0 CA--C 1.579 2.08 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 177.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -79.95 -27.96 39.72 Favored 'General case' 0 CA--C 1.589 2.469 0 N-CA-C 118.123 2.638 . . . . 0.0 118.123 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.25 8.0 tp . . . . . 0 N--CA 1.518 2.93 0 C-N-CA 129.64 3.176 . . . . 0.0 119.509 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.7 m-30 . . . . . 0 N--CA 1.497 1.876 0 CA-C-O 117.477 -1.249 . . . . 0.0 113.605 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.416 ' O ' ' OG1' ' A' ' 91' ' ' THR . . . -57.43 -40.44 92.15 Favored Glycine 0 N--CA 1.497 2.752 0 CA-C-N 120.975 1.716 . . . . 0.0 113.178 174.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.35 -51.92 65.68 Favored 'General case' 0 CA--C 1.581 2.153 0 C-N-CA 124.066 0.946 . . . . 0.0 111.089 175.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -56.52 -46.0 80.82 Favored 'General case' 0 CA--C 1.587 2.381 0 O-C-N 121.002 -1.061 . . . . 0.0 112.108 174.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 36.6 tp -62.67 -48.92 77.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.777 -1.202 . . . . 0.0 111.46 175.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.416 ' OG1' ' O ' ' A' ' 87' ' ' GLY . 3.1 m . . . . . 0 N--CA 1.497 1.914 0 C-N-CA 123.795 0.838 . . . . 0.0 112.049 176.534 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.259 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.471 0 N-CA-C 119.098 2.999 . . . . 0.0 119.098 . . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.271 1.5 pt-20 66.92 -44.16 0.44 Allowed 'General case' 0 N--CA 1.533 3.705 0 CA-C-N 123.137 2.698 . . . . 0.0 112.626 -172.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -34.38 52.06 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 126.263 1.825 . . . . 0.0 112.575 173.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.0 tp -58.04 -48.81 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-N 121.206 1.821 . . . . 0.0 109.848 174.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.41 -43.5 81.1 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 117.931 -1.033 . . . . 0.0 113.604 177.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -66.79 -45.97 76.74 Favored 'General case' 0 CA--C 1.562 1.419 0 CA-C-O 116.688 -1.625 . . . . 0.0 112.591 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.52 88.27 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 122.252 2.297 . . . . 0.0 114.862 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.49 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 16.1 t80 -70.67 -45.62 64.74 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 117.167 -1.397 . . . . 0.0 111.873 177.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -66.68 -33.35 75.44 Favored 'General case' 0 CA--C 1.576 1.964 0 CA-C-O 116.52 -1.705 . . . . 0.0 111.925 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.03 -33.76 75.19 Favored 'General case' 0 CA--C 1.579 2.071 0 CA-C-N 123.204 2.729 . . . . 0.0 110.998 172.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.24 -44.76 88.43 Favored 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -91.84 61.44 4.13 Favored 'General case' 0 CA--C 1.596 2.714 0 CA-C-N 118.793 0.724 . . . . 0.0 111.939 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -52.91 -17.39 1.38 Allowed 'General case' 0 N--CA 1.515 2.795 0 O-C-N 118.285 -2.76 . . . . 0.0 117.066 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -88.51 -5.87 57.95 Favored 'General case' 0 CA--C 1.583 2.249 0 CA-C-N 121.797 2.09 . . . . 0.0 111.552 175.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 68.59 55.82 0.47 Allowed 'General case' 0 CA--C 1.586 2.347 0 CA-C-O 125.941 2.781 . . . . 0.0 114.143 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 72.5 p -117.69 -42.34 2.86 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 111.839 -2.437 . . . . 0.0 109.77 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 77.31 49.59 7.3 Favored Glycine 0 N--CA 1.48 1.595 0 N-CA-C 117.158 1.623 . . . . 0.0 117.158 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.8 109.98 5.63 Favored 'General case' 0 CA--C 1.569 1.71 0 CA-C-N 118.926 1.363 . . . . 0.0 110.229 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.5 mp -110.49 127.57 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.8 p -99.95 166.75 10.9 Favored 'General case' 0 CA--C 1.58 2.118 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.727 176.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -50.74 -38.3 46.85 Favored 'General case' 0 N--CA 1.514 2.762 0 O-C-N 120.325 -1.484 . . . . 0.0 114.697 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -48.61 80.87 Favored 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 124.127 0.971 . . . . 0.0 112.765 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -30.19 69.17 Favored 'General case' 0 CA--C 1.59 2.494 0 O-C-N 121.558 -0.714 . . . . 0.0 110.816 176.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.63 -43.88 98.03 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 120.919 1.691 . . . . 0.0 110.732 173.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.324 11.8 ptpt -67.64 -32.96 74.01 Favored 'General case' 0 CA--C 1.584 2.25 0 CA-C-N 121.696 2.043 . . . . 0.0 110.403 175.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 64.4 mmt-85 -56.28 -53.56 55.74 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-N 120.953 1.706 . . . . 0.0 109.812 171.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . 0.319 0.7 OUTLIER -65.71 -32.23 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 CA-C-N 119.207 0.912 . . . . 0.0 111.772 179.052 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.34 -42.62 66.94 Favored 'General case' 0 CA--C 1.574 1.889 0 O-C-N 120.33 -1.481 . . . . 0.0 111.556 173.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -64.81 -46.5 81.77 Favored 'General case' 0 CA--C 1.589 2.471 0 CA-C-N 118.389 0.541 . . . . 0.0 111.053 171.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -74.56 -31.93 62.25 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 120.459 3.503 . . . . 0.0 120.459 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 15.5 mt -55.07 -70.39 0.11 Allowed 'General case' 0 N--CA 1.49 1.531 0 CA-C-N 121.047 1.749 . . . . 0.0 115.641 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -157.11 -49.13 0.01 OUTLIER Glycine 0 CA--C 1.546 2.029 0 CA-C-N 113.018 -1.901 . . . . 0.0 114.866 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.71 143.02 26.17 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 120.024 1.912 . . . . 0.0 110.014 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -81.55 113.31 19.49 Favored 'General case' 0 CA--C 1.562 1.426 0 O-C-N 120.407 -1.433 . . . . 0.0 110.576 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.25 10.9 tp -86.12 -113.52 0.04 OUTLIER 'General case' 0 CA--C 1.57 1.716 0 CA-C-O 117.493 -1.241 . . . . 0.0 108.948 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.7 t -152.34 158.14 42.31 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 122.789 2.54 . . . . 0.0 110.47 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -40.94 -49.41 3.25 Favored 'General case' 0 CA--C 1.567 1.631 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.0 -42.91 97.03 Favored 'General case' 0 CA--C 1.575 1.914 0 C-N-CA 125.67 1.588 . . . . 0.0 112.481 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.19 -54.34 48.05 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 123.84 0.856 . . . . 0.0 110.414 174.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.2 mt -56.48 -35.38 67.9 Favored 'General case' 0 CA--C 1.571 1.788 0 O-C-N 121.046 -1.034 . . . . 0.0 112.684 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -70.52 -36.71 73.91 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.319 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -62.83 -39.6 94.83 Favored 'General case' 0 CA--C 1.586 2.345 0 CA-C-N 120.391 1.45 . . . . 0.0 109.722 173.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -36.62 83.87 Favored 'General case' 0 CA--C 1.589 2.468 0 CA-C-N 119.216 0.916 . . . . 0.0 111.306 173.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.69 -54.2 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 119.86 -1.775 . . . . 0.0 109.812 173.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -55.15 -40.13 70.28 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -67.19 -39.1 86.33 Favored 'General case' 0 CA--C 1.593 2.612 0 CA-C-N 119.965 1.257 . . . . 0.0 112.201 172.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.41 -41.63 47.08 Favored 'General case' 0 CA--C 1.579 2.087 0 N-CA-C 119.662 3.208 . . . . 0.0 119.662 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -73.09 54.04 0.38 Allowed 'General case' 0 CA--C 1.584 2.286 0 C-N-CA 127.107 2.163 . . . . 0.0 115.823 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.286 0.1 OUTLIER -52.59 -27.53 17.25 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 119.433 3.124 . . . . 0.0 119.433 -178.46 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -79.76 -40.73 28.1 Favored 'General case' 0 CA--C 1.587 2.377 0 CA-C-O 117.69 -1.148 . . . . 0.0 109.636 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 115.54 136.0 5.89 Favored Glycine 0 CA--C 1.559 2.788 0 N-CA-C 118.673 2.229 . . . . 0.0 118.673 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . 0.266 17.1 t70 126.19 -62.22 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.532 0 C-N-CA 127.82 2.448 . . . . 0.0 109.721 177.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 154.7 39.6 0.02 OUTLIER Glycine 0 N--CA 1.488 2.157 0 N-CA-C 118.814 2.285 . . . . 0.0 118.814 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -153.63 138.6 17.23 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 123.134 1.445 . . . . 0.0 109.722 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.79 123.39 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.847 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 70.1 m -99.9 171.58 7.77 Favored 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 121.64 0.733 . . . . 0.0 112.548 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.46 -49.99 66.25 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 179.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.441 ' HA ' HD13 ' A' ' 163' ' ' LEU . 7.1 pt20 -60.04 -34.74 73.8 Favored 'General case' 0 CA--C 1.576 1.96 0 CA-C-N 120.441 1.473 . . . . 0.0 114.282 176.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.4 -22.22 44.6 Favored 'General case' 0 N--CA 1.503 2.212 0 CA-C-N 120.275 1.398 . . . . 0.0 112.073 175.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.49 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -65.13 -56.71 11.39 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 125.98 1.712 . . . . 0.0 110.327 175.319 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 160' ' ' GLN . 0.3 OUTLIER -80.06 -52.01 8.33 Favored 'General case' 0 CA--C 1.577 2.011 0 CA-C-O 118.238 -0.887 . . . . 0.0 112.195 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -80.1 -33.61 38.64 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 118.123 2.638 . . . . 0.0 118.123 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.262 5.6 tp . . . . . 0 N--CA 1.517 2.898 0 N-CA-C 118.821 2.897 . . . . 0.0 118.821 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.512 2.637 0 N-CA-C 119.748 3.24 . . . . 0.0 119.748 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.63 -37.84 42.67 Favored Glycine 0 N--CA 1.499 2.881 0 C-N-CA 125.19 1.376 . . . . 0.0 114.407 176.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -53.84 -58.32 7.68 Favored 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 126.154 1.782 . . . . 0.0 111.193 172.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -57.76 -43.67 85.6 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 120.816 1.644 . . . . 0.0 111.171 175.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.1 tp -60.33 -50.8 72.2 Favored 'General case' 0 CA--C 1.565 1.541 0 O-C-N 121.128 -0.982 . . . . 0.0 111.796 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.8 m . . . . . 0 N--CA 1.495 1.81 0 CA-C-N 119.207 0.912 . . . . 0.0 112.725 176.265 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . 0.528 ' HD2' ' H ' ' A' ' 104' ' ' GLU . 0.1 OUTLIER . . . . . 0 N--CA 1.51 2.544 0 CA-C-O 117.754 -1.117 . . . . 0.0 111.105 . . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . 0.528 ' H ' ' HD2' ' A' ' 103' ' ' LYS . 12.8 tp10 69.93 -63.81 0.38 Allowed 'General case' 0 N--CA 1.524 3.228 0 CA-C-N 123.222 2.737 . . . . 0.0 112.529 -176.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -67.45 -20.0 65.44 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-O 116.514 -1.708 . . . . 0.0 113.007 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -46.68 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 CA-C-N 123.395 2.816 . . . . 0.0 110.18 174.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -42.65 68.08 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -44.06 79.29 Favored 'General case' 0 CA--C 1.566 1.588 0 CA-C-O 116.936 -1.507 . . . . 0.0 111.705 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.94 78.96 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 122.104 2.229 . . . . 0.0 112.929 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.448 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 6.6 t80 -65.0 -41.71 95.15 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 121.309 1.868 . . . . 0.0 112.618 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.42 ' HZ2' ' CD ' ' A' ' 117' ' ' GLU . 8.0 mmmm -65.47 -38.24 89.19 Favored 'General case' 0 CA--C 1.576 1.975 0 CA-C-O 116.882 -1.532 . . . . 0.0 111.783 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.3 pp -72.83 -29.87 63.58 Favored 'General case' 0 CA--C 1.576 1.97 0 CA-C-N 122.177 2.262 . . . . 0.0 112.388 173.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.4 -42.72 70.78 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 124.992 1.317 . . . . 0.0 112.961 173.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -87.07 80.38 8.38 Favored 'General case' 0 CA--C 1.59 2.485 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.053 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -49.9 -17.46 0.38 Allowed 'General case' 0 CA--C 1.596 2.741 0 N-CA-C 117.484 2.402 . . . . 0.0 117.484 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -103.67 8.92 37.43 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-N 120.813 1.642 . . . . 0.0 112.622 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.42 ' CD ' ' HZ2' ' A' ' 111' ' ' LYS . 54.4 tp10 69.34 -11.62 0.47 Allowed 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 119.338 3.088 . . . . 0.0 119.338 177.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.6 t -65.87 -18.37 65.29 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 116.504 2.039 . . . . 0.0 116.504 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 67.46 62.57 4.28 Favored Glycine 0 CA--C 1.541 1.661 0 N-CA-C 119.637 2.615 . . . . 0.0 119.637 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -147.78 109.9 4.55 Favored 'General case' 0 CA--C 1.566 1.577 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 177.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.5 mp -101.64 129.05 53.44 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.688 0 O-C-N 120.997 -1.065 . . . . 0.0 109.731 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.0 p -104.53 171.74 7.17 Favored 'General case' 0 CA--C 1.579 2.091 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.421 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -56.18 -36.95 68.94 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -62.47 -43.9 97.69 Favored 'General case' 0 CA--C 1.577 1.993 0 O-C-N 120.706 -1.246 . . . . 0.0 112.006 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -33.44 75.99 Favored 'General case' 0 CA--C 1.588 2.406 0 O-C-N 120.614 -1.304 . . . . 0.0 109.577 175.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.0 mt -55.75 -44.65 77.8 Favored 'General case' 0 N--CA 1.504 2.227 0 CA-C-N 120.863 1.665 . . . . 0.0 110.914 172.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -56.4 -48.69 76.4 Favored 'General case' 0 CA--C 1.572 1.812 0 C-N-CA 124.038 0.935 . . . . 0.0 111.498 175.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -46.17 89.33 Favored 'General case' 0 N--CA 1.505 2.316 0 CA-C-N 119.279 0.945 . . . . 0.0 112.764 176.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . 0.279 1.9 t -69.72 -37.45 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 CA-C-O 117.008 -1.472 . . . . 0.0 110.304 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -49.78 -48.69 50.33 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-N 121.435 1.925 . . . . 0.0 113.004 174.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -27.97 66.55 Favored 'General case' 0 CA--C 1.593 2.602 0 CA-C-N 119.607 1.094 . . . . 0.0 112.221 172.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.57 -54.96 23.86 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.363 0.8 OUTLIER -44.19 -52.48 7.33 Favored 'General case' 0 CA--C 1.569 1.708 0 N-CA-C 117.198 2.295 . . . . 0.0 117.198 176.088 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 137.42 -47.64 0.94 Allowed Glycine 0 N--CA 1.491 2.319 0 CA-C-N 114.532 -1.213 . . . . 0.0 112.915 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -83.15 138.45 33.65 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -89.26 171.53 9.72 Favored 'General case' 0 CA--C 1.575 1.914 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -176.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.289 0.3 OUTLIER -108.07 -172.79 2.13 Favored 'General case' 0 CA--C 1.559 1.311 1 N-CA-C 121.82 4.008 . . . . 0.0 121.82 -173.776 . . . . . . . . 4 3 . 1 . 011 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 9.2 t -156.23 138.87 15.07 Favored 'General case' 0 CA--C 1.562 1.427 0 N-CA-C 105.468 -2.049 . . . . 0.0 105.468 170.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -43.65 -43.05 5.58 Favored 'General case' 0 CA--C 1.574 1.885 0 N-CA-C 117.743 2.497 . . . . 0.0 117.743 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -61.44 -50.92 70.85 Favored 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 127.414 2.286 . . . . 0.0 112.58 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -47.0 84.29 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 120.678 1.581 . . . . 0.0 110.706 176.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.36 -44.21 84.15 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-N 121.215 1.825 . . . . 0.0 114.234 177.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.525 HE22 ' CG2' ' A' ' 146' ' ' ILE 0.262 0.9 OUTLIER -70.17 -35.14 73.79 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 120.257 1.39 . . . . 0.0 112.285 178.582 . . . . . . . . 4 4 . 1 . 011 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.93 -40.48 95.64 Favored 'General case' 0 CA--C 1.585 2.315 0 CA-C-N 120.746 1.612 . . . . 0.0 110.465 173.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.3 mmt -61.35 -41.78 97.62 Favored 'General case' 0 CA--C 1.576 1.963 0 C-N-CA 123.845 0.858 . . . . 0.0 110.834 174.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.525 ' CG2' HE22 ' A' ' 143' ' ' GLN . 10.0 mm -59.2 -56.33 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-O 116.876 -1.535 . . . . 0.0 110.607 175.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -56.9 -42.29 79.64 Favored 'General case' 0 N--CA 1.505 2.289 0 CA-C-N 120.988 1.722 . . . . 0.0 113.125 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -66.87 -31.82 72.68 Favored 'General case' 0 CA--C 1.597 2.777 0 CA-C-N 120.719 1.6 . . . . 0.0 113.691 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.03 -44.53 19.97 Favored 'General case' 0 CA--C 1.579 2.083 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.289 25.3 t0 -79.81 67.33 5.56 Favored 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 127.719 2.408 . . . . 0.0 109.986 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.28 0.0 OUTLIER -64.61 -26.32 68.35 Favored 'General case' 0 CA--C 1.563 1.444 0 O-C-N 117.61 -3.181 . . . . 0.0 119.21 -173.57 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.89 -24.75 60.89 Favored 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 120.312 1.415 . . . . 0.0 111.905 171.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 88.83 36.65 7.69 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 119.361 2.504 . . . . 0.0 119.361 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -103.47 3.54 35.03 Favored 'General case' 0 CA--C 1.584 2.286 0 CA-C-N 119.07 1.435 . . . . 0.0 114.485 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 92.21 9.71 61.7 Favored Glycine 0 CA--C 1.554 2.476 0 CA-C-N 121.304 1.866 . . . . 0.0 117.095 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -158.09 152.32 24.36 Favored 'General case' 0 CA--C 1.575 1.913 0 CA-C-N 120.054 1.927 . . . . 0.0 112.014 -177.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 7.2 t -99.73 123.6 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.509 0 O-C-N 119.835 -1.791 . . . . 0.0 107.932 -174.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.84 173.94 6.44 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-O 123.055 1.407 . . . . 0.0 113.026 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.42 -50.0 53.13 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 116.21 -1.852 . . . . 0.0 115.943 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.471 ' HA ' ' CD2' ' A' ' 163' ' ' LEU . 0.0 OUTLIER -63.31 -33.96 76.65 Favored 'General case' 0 CA--C 1.576 1.969 0 CA-C-N 122.79 2.541 . . . . 0.0 113.791 177.09 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -27.17 60.3 Favored 'General case' 0 CA--C 1.584 2.25 0 CA-C-N 121.282 1.855 . . . . 0.0 112.055 173.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -61.81 -59.88 4.49 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 126.5 1.92 . . . . 0.0 111.578 175.122 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -80.08 -57.41 3.64 Favored 'General case' 0 CA--C 1.573 1.838 0 CA-C-O 118.093 -0.956 . . . . 0.0 113.083 179.245 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -80.2 -60.12 2.45 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 119.555 3.169 . . . . 0.0 119.555 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.275 0.2 OUTLIER . . . . . 0 CA--C 1.579 2.076 1 C-N-CA 132.694 4.398 . . . . 0.0 106.588 -176.522 . . . . . . . . 3 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 115.748 1.758 . . . . 0.0 115.748 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -59.79 -50.6 65.99 Favored Glycine 0 N--CA 1.496 2.667 0 CA-C-N 121.706 2.048 . . . . 0.0 115.522 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.78 -52.57 56.19 Favored 'General case' 0 CA--C 1.577 2.007 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.37 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -54.77 -38.1 66.81 Favored 'General case' 0 N--CA 1.505 2.322 0 C-N-CA 124.082 0.953 . . . . 0.0 112.031 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.67 -52.07 65.83 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.372 1.069 . . . . 0.0 110.973 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.501 2.108 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 177.178 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.511 2.596 0 CA-C-O 117.421 -1.276 . . . . 0.0 114.113 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 68.6 -47.99 0.56 Allowed 'General case' 0 N--CA 1.533 3.713 0 CA-C-N 123.598 2.908 . . . . 0.0 111.278 -172.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -59.07 -25.76 64.04 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 127.344 2.258 . . . . 0.0 113.422 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -42.57 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.681 0 CA-C-N 122.309 2.322 . . . . 0.0 110.107 171.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.45 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 22.9 mt -70.65 -42.19 71.15 Favored 'General case' 0 CA--C 1.566 1.57 0 CA-C-O 118.939 -0.553 . . . . 0.0 112.415 178.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -65.48 -42.02 92.67 Favored 'General case' 0 CA--C 1.57 1.717 0 CA-C-N 119.955 1.252 . . . . 0.0 111.358 174.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.65 85.41 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 120.558 1.527 . . . . 0.0 113.663 177.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.438 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 0.4 OUTLIER -66.94 -44.58 80.24 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 119.7 1.136 . . . . 0.0 111.077 175.528 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -65.39 -34.55 78.57 Favored 'General case' 0 CA--C 1.575 1.922 0 CA-C-O 117.466 -1.254 . . . . 0.0 112.734 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 pp -71.83 -28.69 63.74 Favored 'General case' 0 CA--C 1.574 1.893 0 CA-C-N 122.0 2.182 . . . . 0.0 110.746 171.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -36.54 68.85 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 119.435 1.016 . . . . 0.0 112.065 171.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -70.8 54.42 0.16 Allowed 'General case' 0 CA--C 1.597 2.753 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -53.6 -21.83 7.42 Favored 'General case' 0 N--CA 1.516 2.862 0 O-C-N 118.365 -2.71 . . . . 0.0 115.226 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -94.42 -25.1 17.07 Favored 'General case' 0 CA--C 1.589 2.479 0 C-N-CA 124.776 1.23 . . . . 0.0 110.211 176.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 77.19 56.3 0.03 OUTLIER 'General case' 0 CA--C 1.58 2.134 0 CA-C-O 126.19 2.9 . . . . 0.0 112.603 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 68.3 p -105.51 -40.2 5.87 Favored 'General case' 0 CA--C 1.569 1.675 0 CA-C-N 111.313 -2.676 . . . . 0.0 108.64 177.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.82 33.78 12.22 Favored Glycine 0 N--CA 1.487 2.04 0 N-CA-C 118.091 1.996 . . . . 0.0 118.091 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.9 126.4 5.53 Favored 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.5 mp -99.93 124.53 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 CA-C-O 123.152 1.454 . . . . 0.0 107.392 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 58.3 p -99.97 165.52 11.5 Favored 'General case' 0 CA--C 1.583 2.249 0 CA-C-N 112.399 -2.182 . . . . 0.0 107.33 175.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -53.11 -37.97 62.2 Favored 'General case' 0 N--CA 1.512 2.647 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.11 -39.95 93.82 Favored 'General case' 0 CA--C 1.577 2.013 0 O-C-N 121.267 -0.896 . . . . 0.0 112.154 178.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.62 -36.1 82.72 Favored 'General case' 0 CA--C 1.583 2.241 0 CA-C-N 120.678 1.581 . . . . 0.0 109.433 175.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.63 -46.89 70.65 Favored 'General case' 0 N--CA 1.507 2.415 0 CA-C-N 120.184 1.357 . . . . 0.0 110.227 172.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -56.93 -46.44 82.03 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 124.608 1.163 . . . . 0.0 111.817 174.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.3 mtm105 -57.17 -52.29 65.91 Favored 'General case' 0 N--CA 1.506 2.348 0 CA-C-N 119.548 1.067 . . . . 0.0 111.678 176.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.78 -44.69 99.7 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.44 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.173 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.77 -45.26 86.2 Favored 'General case' 0 CA--C 1.576 1.949 0 CA-C-N 119.884 1.22 . . . . 0.0 113.225 174.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -64.86 -48.9 72.61 Favored 'General case' 0 CA--C 1.567 1.599 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 176.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.67 -34.35 73.84 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 23.2 mt -79.07 -56.74 4.15 Favored 'General case' 0 CA--C 1.574 1.889 0 C-N-CA 124.908 1.283 . . . . 0.0 113.484 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 140.18 -16.07 2.99 Favored Glycine 0 CA--C 1.562 2.969 0 C-N-CA 125.447 1.498 . . . . 0.0 114.454 -176.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -71.22 60.15 0.28 Allowed 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 125.889 1.675 . . . . 0.0 114.465 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -76.59 -41.7 45.27 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 119.198 -2.189 . . . . 0.0 116.673 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.27 0.0 OUTLIER 34.77 -107.23 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.512 0 CA-C-N 121.177 1.808 . . . . 0.0 112.365 -179.479 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.0 t -158.86 164.32 35.83 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 122.443 2.383 . . . . 0.0 108.31 174.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -42.27 -49.96 4.99 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-N 111.53 -2.577 . . . . 0.0 116.228 176.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -63.92 -39.38 94.03 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 125.723 1.609 . . . . 0.0 113.222 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -59.07 -54.23 49.38 Favored 'General case' 0 N--CA 1.507 2.387 0 CA-C-N 119.939 1.245 . . . . 0.0 109.936 174.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mt -59.72 -38.2 81.01 Favored 'General case' 0 CA--C 1.578 2.031 0 O-C-N 120.948 -1.095 . . . . 0.0 112.533 175.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -69.99 -39.14 76.08 Favored 'General case' 0 CA--C 1.562 1.433 0 CA-C-O 116.682 -1.628 . . . . 0.0 111.407 -178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.69 -33.6 76.01 Favored 'General case' 0 CA--C 1.581 2.138 0 CA-C-N 121.584 1.993 . . . . 0.0 109.921 173.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.3 mmt -59.75 -45.55 91.88 Favored 'General case' 0 CA--C 1.593 2.605 0 CA-C-N 121.203 1.819 . . . . 0.0 109.523 171.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 4.9 mm -58.23 -54.48 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 C-N-CA 124.398 1.079 . . . . 0.0 111.052 174.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -42.34 50.24 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -32.84 64.58 Favored 'General case' 0 CA--C 1.588 2.438 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.5 -42.49 29.46 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 118.79 2.885 . . . . 0.0 118.79 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.321 36.3 t0 -63.02 72.95 0.02 OUTLIER 'General case' 0 CA--C 1.591 2.551 0 C-N-CA 127.661 2.385 . . . . 0.0 112.987 -178.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -39.96 -50.09 2.5 Favored 'General case' 0 C--N 1.368 1.374 0 N-CA-C 121.506 3.891 . . . . 0.0 121.506 -175.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -102.68 4.84 38.6 Favored 'General case' 0 CA--C 1.581 2.163 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 83.39 31.22 28.34 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 122.308 3.683 . . . . 0.0 122.308 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -91.26 -20.71 21.62 Favored 'General case' 0 CA--C 1.581 2.156 0 CA-C-N 120.873 2.336 . . . . 0.0 115.662 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 112.63 9.91 18.04 Favored Glycine 0 CA--C 1.557 2.7 0 N-CA-C 116.879 1.512 . . . . 0.0 116.879 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -149.52 152.37 35.47 Favored 'General case' 0 CA--C 1.573 1.857 0 CA-C-O 123.9 1.809 . . . . 0.0 112.106 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 6.1 t -99.89 119.34 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.221 0 N-CA-C 104.501 -2.407 . . . . 0.0 104.501 -179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 58.1 m -99.92 170.95 8.16 Favored 'General case' 0 CA--C 1.566 1.573 0 CA-C-O 122.185 0.993 . . . . 0.0 112.99 -177.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.72 -45.07 77.99 Favored 'General case' 0 N--CA 1.507 2.379 0 CA-C-O 117.134 -1.412 . . . . 0.0 112.814 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -37.59 79.64 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 122.715 2.507 . . . . 0.0 114.586 175.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.282 3.3 tp10 -73.44 -32.79 64.58 Favored 'General case' 0 CA--C 1.587 2.403 0 CA-C-N 122.567 2.44 . . . . 0.0 110.863 174.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.45 ' CE1' ' HA ' ' A' ' 107' ' ' LEU . 0.1 OUTLIER -57.86 -57.12 14.19 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.699 1.59 . . . . 0.0 112.292 176.46 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . 0.258 1.7 pp -80.11 -43.09 22.31 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-O 117.669 -1.158 . . . . 0.0 113.699 178.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -80.1 -34.81 37.65 Favored 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.7 tp . . . . . 0 N--CA 1.518 2.968 0 N-CA-C 118.505 2.78 . . . . 0.0 118.505 -179.28 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . 0.272 34.5 m-85 . . . . . 0 N--CA 1.508 2.44 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -56.0 -46.62 84.07 Favored Glycine 0 N--CA 1.5 2.946 0 CA-C-N 122.09 2.223 . . . . 0.0 113.5 174.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.89 -56.36 23.26 Favored 'General case' 0 CA--C 1.577 1.999 0 C-N-CA 124.573 1.149 . . . . 0.0 111.509 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -49.38 -48.68 46.73 Favored 'General case' 0 CA--C 1.586 2.349 0 CA-C-N 119.587 1.085 . . . . 0.0 113.047 176.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 44.7 tp -62.6 -47.94 81.58 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.186 0.595 . . . . 0.0 111.885 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.634 176.369 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.273 0.0 OUTLIER . . . . . 0 N--CA 1.509 2.52 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 68.99 -50.75 0.59 Allowed 'General case' 0 N--CA 1.526 3.364 0 CA-C-N 122.299 2.318 . . . . 0.0 113.493 -177.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -62.34 -25.42 67.89 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 125.715 1.606 . . . . 0.0 113.269 176.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.1 tt -50.35 -47.48 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 CA-C-N 121.447 1.93 . . . . 0.0 111.968 174.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.404 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 14.8 mt -72.63 -37.73 67.96 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-N 114.321 -1.309 . . . . 0.0 112.22 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -68.86 -35.99 77.59 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-N 120.459 1.481 . . . . 0.0 111.095 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.72 -52.03 62.32 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 121.507 1.958 . . . . 0.0 112.513 177.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.461 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 2.3 t80 -65.47 -44.96 85.53 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 118.916 0.78 . . . . 0.0 111.838 176.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -65.59 -34.04 77.3 Favored 'General case' 0 CA--C 1.571 1.786 0 CA-C-O 117.198 -1.382 . . . . 0.0 112.31 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . 0.253 41.9 mt -73.42 -20.0 60.83 Favored 'General case' 0 CA--C 1.588 2.405 0 CA-C-N 122.306 2.321 . . . . 0.0 111.245 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -46.0 72.09 Favored 'General case' 0 CA--C 1.572 1.821 0 CA-C-N 121.493 1.951 . . . . 0.0 112.478 171.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -86.87 70.23 10.33 Favored 'General case' 0 CA--C 1.59 2.51 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.22 -18.12 0.54 Allowed 'General case' 0 N--CA 1.517 2.905 0 O-C-N 118.399 -2.688 . . . . 0.0 116.539 177.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -86.33 -4.71 59.22 Favored 'General case' 0 CA--C 1.584 2.277 0 CA-C-N 121.455 1.934 . . . . 0.0 112.951 176.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 81.03 -13.9 0.88 Allowed 'General case' 0 N--CA 1.516 2.831 0 N-CA-C 118.537 2.792 . . . . 0.0 118.537 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 35.2 p -57.81 -37.38 73.69 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 126.907 2.083 . . . . 0.0 113.909 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 72.17 56.26 6.45 Favored Glycine 0 N--CA 1.476 1.355 0 N-CA-C 117.399 1.72 . . . . 0.0 117.399 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -145.29 110.32 5.17 Favored 'General case' 0 CA--C 1.56 1.352 0 N-CA-C 106.047 -1.835 . . . . 0.0 106.047 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.92 122.62 52.01 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.3 p -99.96 168.0 10.14 Favored 'General case' 0 CA--C 1.577 1.99 0 CA-C-N 111.917 -2.402 . . . . 0.0 107.58 176.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -55.21 -36.16 65.65 Favored 'General case' 0 N--CA 1.506 2.363 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -64.26 -41.91 96.73 Favored 'General case' 0 CA--C 1.57 1.719 0 O-C-N 121.343 -0.848 . . . . 0.0 112.345 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -33.94 77.05 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-N 120.205 1.366 . . . . 0.0 109.574 174.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 83.9 mt -55.5 -49.26 73.03 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-N 120.062 1.301 . . . . 0.0 111.245 173.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -56.04 -52.78 63.02 Favored 'General case' 0 N--CA 1.499 1.993 0 C-N-CA 124.461 1.104 . . . . 0.0 110.851 175.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.4 mmt-85 -49.63 -52.95 27.04 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 123.372 0.669 . . . . 0.0 112.484 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.5 t -71.67 -39.1 68.81 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.516 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.98 -49.07 66.86 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 119.743 1.156 . . . . 0.0 112.85 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -27.42 51.15 Favored 'General case' 0 CA--C 1.578 2.049 0 CA-C-O 117.664 -1.16 . . . . 0.0 113.336 173.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -77.37 -34.61 54.98 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 117.772 2.508 . . . . 0.0 117.772 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 21.1 mt -70.55 -72.24 0.21 Allowed 'General case' 0 CA--C 1.564 1.519 0 CA-C-N 120.868 1.667 . . . . 0.0 113.42 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 177.14 -45.95 0.1 Allowed Glycine 0 N--CA 1.487 2.057 0 N-CA-C 116.304 1.282 . . . . 0.0 116.304 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -101.17 95.14 6.35 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 119.08 1.44 . . . . 0.0 109.386 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.24 117.59 23.63 Favored 'General case' 0 CA--C 1.562 1.43 0 O-C-N 121.448 -0.782 . . . . 0.0 111.548 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.88 -122.93 0.03 OUTLIER 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 14.7 t -145.91 163.86 33.8 Favored 'General case' 0 CA--C 1.575 1.906 0 O-C-N 120.678 -1.264 . . . . 0.0 109.827 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . 0.262 0.5 OUTLIER -54.19 -43.11 70.45 Favored 'General case' 0 CA--C 1.602 2.976 0 CA-C-N 115.07 -0.968 . . . . 0.0 113.241 -176.842 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -63.9 -43.46 95.94 Favored 'General case' 0 CA--C 1.569 1.691 0 C-N-CA 128.054 2.542 . . . . 0.0 113.222 175.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -55.69 -52.59 63.35 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 120.877 1.671 . . . . 0.0 109.783 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 1.3 mp -57.57 -39.16 76.08 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 174.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.252 25.8 tp60 -71.28 -35.13 71.24 Favored 'General case' 0 CA--C 1.567 1.614 0 CA-C-N 119.746 1.157 . . . . 0.0 110.66 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -60.69 -40.78 93.43 Favored 'General case' 0 CA--C 1.583 2.248 0 CA-C-N 119.476 1.035 . . . . 0.0 109.424 173.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 52.4 mmm -60.64 -40.41 91.85 Favored 'General case' 0 CA--C 1.579 2.076 0 C-N-CA 124.199 1.0 . . . . 0.0 111.648 173.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.2 mm -65.05 -58.29 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 125.12 1.368 . . . . 0.0 111.804 175.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.46 -36.94 69.61 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.79 -42.37 70.41 Favored 'General case' 0 CA--C 1.591 2.519 0 CA-C-N 119.831 1.196 . . . . 0.0 112.656 172.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.95 9.65 3.45 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 120.116 3.376 . . . . 0.0 120.116 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.251 0.0 OUTLIER -97.77 21.24 10.74 Favored 'General case' 0 CA--C 1.593 2.621 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 -176.678 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -25.15 63.87 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 119.766 3.247 . . . . 0.0 119.766 -176.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -67.63 -23.93 65.41 Favored 'General case' 0 CA--C 1.598 2.809 0 CA-C-N 119.827 1.194 . . . . 0.0 111.068 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 96.36 49.88 1.95 Allowed Glycine 0 N--CA 1.488 2.155 0 N-CA-C 119.924 2.73 . . . . 0.0 119.924 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -135.84 -0.36 2.58 Favored 'General case' 0 CA--C 1.578 2.044 0 CA-C-O 116.905 -1.521 . . . . 0.0 113.759 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 71.31 13.09 73.4 Favored Glycine 0 N--CA 1.509 3.551 0 CA-C-N 123.506 2.866 . . . . 0.0 117.202 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -147.28 174.48 11.59 Favored 'General case' 0 CA--C 1.584 2.26 0 C-N-CA 127.737 2.415 . . . . 0.0 106.505 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 12.2 t -99.92 120.56 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.628 0 O-C-N 117.87 -3.019 . . . . 0.0 105.991 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.94 172.2 7.37 Favored 'General case' 0 CA--C 1.568 1.65 0 CA-C-O 123.613 1.673 . . . . 0.0 112.664 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.25 2.9 pm0 -55.24 -40.33 70.79 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -63.21 -36.74 84.65 Favored 'General case' 0 CA--C 1.583 2.217 0 CA-C-N 120.824 1.647 . . . . 0.0 112.017 175.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -76.75 -20.0 56.99 Favored 'General case' 0 N--CA 1.508 2.439 0 CA-C-N 120.88 1.673 . . . . 0.0 112.3 175.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 3.5 t80 -69.8 -54.17 14.88 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 125.74 1.616 . . . . 0.0 109.946 174.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -47.07 15.44 Favored 'General case' 0 CA--C 1.582 2.183 0 CA-C-O 118.118 -0.944 . . . . 0.0 112.878 176.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -80.07 -21.86 42.9 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 118.413 2.746 . . . . 0.0 118.413 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 3.2 tp . . . . . 0 N--CA 1.522 3.164 0 N-CA-C 118.375 2.732 . . . . 0.0 118.375 -178.698 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 . . . . . 0 N--CA 1.51 2.561 0 N-CA-C 118.75 2.87 . . . . 0.0 118.75 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.18 -49.68 49.16 Favored Glycine 0 N--CA 1.498 2.779 0 CA-C-N 120.781 1.628 . . . . 0.0 114.318 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -57.08 -49.57 75.46 Favored 'General case' 0 CA--C 1.573 1.864 0 C-N-CA 124.264 1.025 . . . . 0.0 113.755 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . 0.268 58.5 t80 -55.45 -45.88 76.82 Favored 'General case' 0 CA--C 1.586 2.365 0 C-N-CA 124.913 1.285 . . . . 0.0 111.979 176.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -53.89 50.5 Favored 'General case' 0 CA--C 1.562 1.44 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.906 174.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.502 2.143 0 CA-C-N 119.103 0.865 . . . . 0.0 112.788 177.173 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.6 pttm . . . . . 0 N--CA 1.512 2.643 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 69.99 -38.9 0.42 Allowed 'General case' 0 N--CA 1.524 3.261 0 O-C-N 119.364 -2.085 . . . . 0.0 111.994 -173.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -54.77 -35.6 63.98 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.013 2.125 . . . . 0.0 111.852 175.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.3 tt -56.91 -42.42 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.366 0 CA-C-N 121.446 1.93 . . . . 0.0 111.529 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 mp -71.54 -43.23 66.79 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 118.301 -0.857 . . . . 0.0 113.088 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -66.82 -40.48 88.05 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 120.361 1.437 . . . . 0.0 112.252 175.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.23 -49.54 71.54 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 121.145 1.793 . . . . 0.0 113.416 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.491 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 21.3 t80 -67.76 -44.39 77.61 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 120.001 1.273 . . . . 0.0 112.09 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -66.22 -38.19 87.34 Favored 'General case' 0 CA--C 1.579 2.081 0 CA-C-O 116.804 -1.57 . . . . 0.0 111.207 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.3 mt -74.25 -19.95 60.33 Favored 'General case' 0 CA--C 1.58 2.121 0 CA-C-N 122.765 2.529 . . . . 0.0 112.869 175.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -42.44 78.1 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 121.419 1.918 . . . . 0.0 111.53 172.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -85.83 78.79 9.46 Favored 'General case' 0 CA--C 1.592 2.58 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.75 -18.85 0.3 Allowed 'General case' 0 N--CA 1.516 2.835 0 CA-C-N 123.362 2.801 . . . . 0.0 116.909 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -90.14 -2.99 58.15 Favored 'General case' 0 CA--C 1.592 2.581 0 CA-C-N 121.175 1.807 . . . . 0.0 111.564 175.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 71.12 -5.98 1.42 Allowed 'General case' 0 CA--C 1.578 2.057 0 N-CA-C 117.499 2.407 . . . . 0.0 117.499 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.628 ' HG1' ' N ' ' A' ' 119' ' ' GLY . 6.8 p -56.48 -42.93 79.11 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 125.562 1.545 . . . . 0.0 112.697 177.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.628 ' N ' ' HG1' ' A' ' 118' ' ' THR . . . 93.83 69.02 1.08 Allowed Glycine 0 CA--C 1.538 1.495 0 N-CA-C 116.941 1.536 . . . . 0.0 116.941 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.87 109.87 3.9 Favored 'General case' 0 CA--C 1.574 1.885 0 CA-C-N 117.86 0.83 . . . . 0.0 109.753 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.26 131.36 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.563 0 CA-C-N 120.806 1.639 . . . . 0.0 109.13 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 64.6 p -107.41 166.0 10.98 Favored 'General case' 0 CA--C 1.581 2.168 0 CA-C-N 113.231 -1.804 . . . . 0.0 107.481 173.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -48.33 -47.23 37.01 Favored 'General case' 0 N--CA 1.512 2.645 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -56.73 -38.12 71.92 Favored 'General case' 0 CA--C 1.579 2.079 0 CA-C-N 114.266 -1.334 . . . . 0.0 113.423 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.09 -37.34 81.1 Favored 'General case' 0 CA--C 1.59 2.501 0 CA-C-N 121.003 1.728 . . . . 0.0 108.882 174.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 mt -53.08 -45.72 68.31 Favored 'General case' 0 N--CA 1.518 2.943 0 CA-C-N 120.503 1.501 . . . . 0.0 110.803 172.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -56.8 -46.8 81.34 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.747 1.219 . . . . 0.0 111.649 174.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -58.25 6.19 Favored 'General case' 0 N--CA 1.505 2.308 0 CA-C-O 121.475 0.655 . . . . 0.0 112.426 175.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.6 t -65.4 -34.56 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.455 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.717 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.52 -30.45 70.64 Favored 'General case' 0 CA--C 1.578 2.057 0 CA-C-N 119.033 0.833 . . . . 0.0 112.636 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -43.02 35.55 Favored 'General case' 0 CA--C 1.57 1.723 0 CA-C-O 117.174 -1.393 . . . . 0.0 110.294 173.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -54.02 -45.96 71.68 Favored 'General case' 0 N--CA 1.506 2.339 0 CA-C-N 121.199 1.818 . . . . 0.0 113.453 174.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.347 5.4 mp -69.77 -65.7 0.68 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 127.193 2.197 . . . . 0.0 111.735 175.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.11 -32.29 2.01 Favored Glycine 0 CA--C 1.559 2.825 0 N-CA-C 114.72 0.648 . . . . 0.0 114.72 -176.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.41 68.1 0.75 Allowed 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 125.243 1.417 . . . . 0.0 110.53 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -144.79 -93.39 0.1 Allowed 'General case' 0 CA--C 1.567 1.609 0 O-C-N 120.709 -1.244 . . . . 0.0 111.815 -176.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.254 0.0 OUTLIER -144.69 -146.24 0.18 Allowed 'General case' 0 CA--C 1.582 2.209 0 CA-C-N 120.742 1.61 . . . . 0.0 112.572 -179.214 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.0 t -137.1 171.44 14.5 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 119.972 -1.705 . . . . 0.0 112.222 -177.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -39.9 -54.41 2.17 Favored 'General case' 0 CA--C 1.566 1.571 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.34 -47.65 83.27 Favored 'General case' 0 CA--C 1.57 1.737 0 CA-C-N 113.544 -1.662 . . . . 0.0 112.07 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.58 -43.4 98.9 Favored 'General case' 0 CA--C 1.584 2.284 0 C-N-CA 123.706 0.803 . . . . 0.0 111.952 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 50.2 mt -56.08 -45.56 79.33 Favored 'General case' 0 CA--C 1.58 2.12 0 O-C-N 119.786 -1.821 . . . . 0.0 111.313 173.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.499 HE22 ' CG2' ' A' ' 146' ' ' ILE . 0.9 OUTLIER -66.4 -32.95 74.65 Favored 'General case' 0 CA--C 1.573 1.846 0 O-C-N 121.209 -0.932 . . . . 0.0 112.772 177.009 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.81 -44.04 97.66 Favored 'General case' 0 CA--C 1.582 2.196 0 CA-C-N 120.496 1.498 . . . . 0.0 110.173 174.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 20.1 ptp -64.55 -34.11 77.48 Favored 'General case' 0 CA--C 1.582 2.183 0 CA-C-N 119.878 1.217 . . . . 0.0 111.448 174.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.499 ' CG2' HE22 ' A' ' 143' ' ' GLN . 6.9 mm -60.29 -60.04 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 CA-C-N 120.582 1.537 . . . . 0.0 109.505 173.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.36 -35.3 62.63 Favored 'General case' 0 N--CA 1.506 2.337 0 CA-C-N 119.695 1.134 . . . . 0.0 113.537 -178.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -68.94 -40.33 79.04 Favored 'General case' 0 CA--C 1.6 2.871 0 CA-C-N 121.322 1.874 . . . . 0.0 111.788 172.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.28 -24.74 50.97 Favored 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 119.286 3.069 . . . . 0.0 119.286 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.83 27.41 0.02 OUTLIER 'General case' 0 CA--C 1.584 2.254 0 N-CA-C 120.799 3.629 . . . . 0.0 120.799 -176.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -33.6 57.28 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 118.365 2.728 . . . . 0.0 118.365 -176.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -71.3 -26.5 62.88 Favored 'General case' 0 CA--C 1.578 2.042 0 CA-C-O 116.415 -1.755 . . . . 0.0 113.357 175.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 149.58 138.0 2.86 Favored Glycine 0 CA--C 1.554 2.481 0 CA-C-N 123.241 2.746 . . . . 0.0 119.918 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.55 7.44 0.06 Allowed 'General case' 0 CA--C 1.579 2.076 1 N-CA-C 122.281 4.178 . . . . 0.0 122.281 173.59 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 104.56 41.87 1.95 Allowed Glycine 0 N--CA 1.496 2.669 0 CA-C-N 124.212 3.187 . . . . 0.0 118.038 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.26 145.39 20.51 Favored 'General case' 0 CA--C 1.572 1.82 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.3 t -99.82 121.22 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 C-N-CA 124.137 0.975 . . . . 0.0 109.914 -174.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.7 t -100.22 175.38 5.75 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-O 124.075 1.893 . . . . 0.0 112.109 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -50.05 59.86 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 115.584 -2.15 . . . . 0.0 115.369 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.421 ' HA ' ' CD1' ' A' ' 163' ' ' LEU . 3.4 pp0? -62.16 -32.28 72.87 Favored 'General case' 0 CA--C 1.573 1.852 0 CA-C-N 123.641 2.928 . . . . 0.0 114.543 178.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.15 -29.92 60.61 Favored 'General case' 0 CA--C 1.577 1.984 0 CA-C-N 120.616 1.553 . . . . 0.0 111.906 175.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.491 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.3 OUTLIER -62.79 -58.43 7.44 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 125.471 1.508 . . . . 0.0 112.787 176.13 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.421 ' CD1' ' HA ' ' A' ' 160' ' ' GLN . 0.4 OUTLIER -80.07 -33.31 39.03 Favored 'General case' 0 CA--C 1.574 1.897 0 N-CA-C 113.985 1.105 . . . . 0.0 113.985 -178.254 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -75.64 -19.91 58.87 Favored 'General case' 0 CA--C 1.576 1.953 0 CA-C-N 121.45 1.932 . . . . 0.0 116.046 177.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 N--CA 1.521 3.095 0 N-CA-C 118.196 2.665 . . . . 0.0 118.196 -179.709 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 117.331 -1.318 . . . . 0.0 114.119 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.12 -45.74 95.45 Favored Glycine 0 N--CA 1.491 2.362 0 CA-C-N 121.567 1.985 . . . . 0.0 115.43 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.5 -55.51 13.27 Favored 'General case' 0 CA--C 1.572 1.812 0 CA-C-O 117.092 -1.432 . . . . 0.0 111.193 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -47.51 -49.31 26.29 Favored 'General case' 0 N--CA 1.507 2.394 0 CA-C-N 120.399 1.454 . . . . 0.0 114.238 177.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.25 -47.85 75.31 Favored 'General case' 0 CA--C 1.563 1.443 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.703 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.502 2.141 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 175.607 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.259 0.0 OUTLIER . . . . . 0 N--CA 1.509 2.48 0 N-CA-C 115.89 1.811 . . . . 0.0 115.89 . . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 66.42 -48.66 0.44 Allowed 'General case' 0 N--CA 1.524 3.266 0 CA-C-N 122.326 2.33 . . . . 0.0 112.031 -172.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -35.06 6.15 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 128.587 2.755 . . . . 0.0 114.466 175.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.0 tt -60.48 -41.32 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 CA-C-N 120.497 1.498 . . . . 0.0 111.701 176.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.473 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 0.5 OUTLIER -71.78 -46.91 56.78 Favored 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -179.776 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -67.62 -41.26 84.22 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 117.487 -1.244 . . . . 0.0 112.534 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.16 -44.65 75.49 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 121.068 1.758 . . . . 0.0 113.167 178.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.493 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 6.3 t80 -67.15 -43.9 81.13 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.61 2.004 . . . . 0.0 112.836 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . 0.25 7.6 tptt -67.75 -32.42 73.02 Favored 'General case' 0 CA--C 1.58 2.12 0 CA-C-N 120.977 1.717 . . . . 0.0 111.826 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.3 mt -80.02 -19.94 46.55 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-N 122.401 2.364 . . . . 0.0 112.179 172.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -43.77 90.61 Favored 'General case' 0 CA--C 1.568 1.667 0 CA-C-N 121.642 2.019 . . . . 0.0 111.58 172.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -83.98 84.48 7.57 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-O 118.263 -0.875 . . . . 0.0 108.938 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -44.39 -15.67 0.02 OUTLIER 'General case' 0 CA--C 1.604 3.035 0 N-CA-C 117.782 2.512 . . . . 0.0 117.782 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -99.51 -11.26 21.22 Favored 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 120.619 1.554 . . . . 0.0 112.77 176.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 71.04 1.02 3.63 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 -177.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -69.78 -26.28 64.2 Favored 'General case' 0 CA--C 1.582 2.175 0 C-N-CA 125.566 1.546 . . . . 0.0 111.109 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 77.15 69.09 1.43 Allowed Glycine 0 C--N 1.359 1.813 0 N-CA-C 120.595 2.998 . . . . 0.0 120.595 175.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -149.5 109.87 4.19 Favored 'General case' 0 CA--C 1.568 1.64 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.16 128.11 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 CA-C-O 122.544 1.164 . . . . 0.0 108.711 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.9 p -102.45 170.81 7.83 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-N 112.991 -1.913 . . . . 0.0 107.724 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -56.06 -35.05 66.51 Favored 'General case' 0 N--CA 1.511 2.591 0 O-C-N 120.442 -1.411 . . . . 0.0 114.68 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -45.79 86.6 Favored 'General case' 0 CA--C 1.578 2.029 0 O-C-N 120.551 -1.343 . . . . 0.0 112.66 178.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -67.97 -31.91 71.96 Favored 'General case' 0 CA--C 1.576 1.98 0 O-C-N 121.062 -1.024 . . . . 0.0 111.471 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.5 mt -56.83 -48.33 78.28 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 120.708 1.595 . . . . 0.0 111.263 174.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.337 0.0 OUTLIER -70.6 -28.26 64.73 Favored 'General case' 0 CA--C 1.581 2.145 0 CA-C-O 116.647 -1.644 . . . . 0.0 111.034 177.218 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -57.4 -57.2 13.71 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 121.832 2.105 . . . . 0.0 108.506 172.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . 0.337 0.1 OUTLIER -67.53 -41.89 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 CA-C-O 117.399 -1.286 . . . . 0.0 111.973 -178.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -45.05 -46.78 11.64 Favored 'General case' 0 CA--C 1.576 1.976 0 CA-C-N 121.269 1.85 . . . . 0.0 112.567 174.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -66.34 -41.52 89.45 Favored 'General case' 0 CA--C 1.59 2.51 0 O-C-N 121.118 -0.989 . . . . 0.0 112.865 173.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -72.37 -60.08 2.41 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 121.376 3.843 . . . . 0.0 121.376 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.488 20.6 tp -33.16 -51.14 0.32 Allowed 'General case' 0 CA--C 1.56 1.362 1 N-CA-C 122.353 4.205 . . . . 0.0 122.353 -177.836 . . . . . . . . 3 2 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 152.64 -23.14 0.83 Allowed Glycine 0 CA--C 1.548 2.118 0 CA-C-N 112.162 -2.29 . . . . 0.0 111.98 -176.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -151.37 136.23 17.27 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 120.763 2.281 . . . . 0.0 109.909 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -93.5 -42.94 8.97 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 117.811 2.523 . . . . 0.0 117.811 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.3 tp 66.54 -118.17 0.27 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 117.195 -1.384 . . . . 0.0 108.152 -176.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.7 t -156.71 158.73 37.45 Favored 'General case' 0 CA--C 1.566 1.58 0 CA-C-O 126.036 2.827 . . . . 0.0 111.769 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -39.94 -50.26 2.49 Favored 'General case' 0 CA--C 1.577 1.994 0 CA-C-N 109.851 -3.34 . . . . 0.0 116.888 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.23 -41.33 97.06 Favored 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 125.945 1.698 . . . . 0.0 112.44 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -60.5 -47.5 85.86 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 123.836 0.854 . . . . 0.0 110.488 174.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.6 mp -55.68 -46.54 77.56 Favored 'General case' 0 CA--C 1.563 1.449 0 O-C-N 120.726 -1.234 . . . . 0.0 113.074 174.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.468 HE22 ' CG2' ' A' ' 146' ' ' ILE 0.25 1.0 OUTLIER -66.57 -30.41 70.7 Favored 'General case' 0 CA--C 1.576 1.955 0 CA-C-O 118.101 -0.952 . . . . 0.0 113.13 177.512 . . . . . . . . 4 4 . 1 . 015 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.02 -46.0 89.66 Favored 'General case' 0 CA--C 1.581 2.138 0 CA-C-N 120.527 1.512 . . . . 0.0 110.089 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -64.13 -33.54 76.01 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.745 -1.222 . . . . 0.0 111.775 175.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.468 ' CG2' HE22 ' A' ' 143' ' ' GLN . 17.7 mm -59.49 -55.03 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 CA-C-N 121.643 2.02 . . . . 0.0 109.848 172.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.02 -39.27 65.98 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 117.41 -1.281 . . . . 0.0 113.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -51.23 37.44 Favored 'General case' 0 CA--C 1.592 2.563 0 CA-C-N 121.177 1.808 . . . . 0.0 111.223 172.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.89 74.47 Favored 'General case' 0 CA--C 1.557 1.242 0 N-CA-C 120.485 3.513 . . . . 0.0 120.485 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.23 49.33 0.06 Allowed 'General case' 0 CA--C 1.59 2.499 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -50.54 -41.02 53.43 Favored 'General case' 0 CA--C 1.572 1.814 0 O-C-N 119.451 -2.031 . . . . 0.0 115.437 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -65.23 -38.83 91.61 Favored 'General case' 0 CA--C 1.584 2.262 0 C-N-CA 124.322 1.049 . . . . 0.0 113.203 174.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 101.18 41.02 2.69 Favored Glycine 0 CA--C 1.548 2.155 0 N-CA-C 121.853 3.501 . . . . 0.0 121.853 176.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -119.26 6.17 11.21 Favored 'General case' 0 CA--C 1.586 2.347 0 CA-C-N 119.124 1.462 . . . . 0.0 113.935 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 79.08 22.13 66.35 Favored Glycine 0 CA--C 1.571 3.591 0 O-C-N 119.205 -2.184 . . . . 0.0 113.342 -172.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -160.02 151.19 19.39 Favored 'General case' 0 CA--C 1.574 1.888 0 C-N-CA 126.016 1.726 . . . . 0.0 109.073 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 13.0 t -99.73 130.45 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.578 0 O-C-N 120.12 -1.613 . . . . 0.0 110.559 -173.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 54.0 p -99.77 171.35 7.94 Favored 'General case' 0 CA--C 1.57 1.74 0 CA-C-O 122.813 1.292 . . . . 0.0 112.193 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.314 20.6 pt-20 -58.93 -37.74 77.38 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.426 -1.421 . . . . 0.0 114.657 -178.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -60.41 -36.58 78.47 Favored 'General case' 0 CA--C 1.584 2.271 0 CA-C-N 122.966 2.621 . . . . 0.0 112.531 173.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -32.31 71.0 Favored 'General case' 0 N--CA 1.513 2.717 0 CA-C-N 122.116 2.235 . . . . 0.0 109.655 175.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -62.14 -37.5 85.41 Favored 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 124.912 1.285 . . . . 0.0 112.941 172.212 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -52.04 8.35 Favored 'General case' 0 CA--C 1.579 2.09 0 C-N-CA 126.267 1.827 . . . . 0.0 112.345 177.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -19.94 0.12 Allowed 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 118.487 2.773 . . . . 0.0 118.487 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.573 1.844 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 176.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.505 2.296 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.38 -43.14 34.69 Favored Glycine 0 N--CA 1.499 2.841 0 N-CA-C 116.815 1.486 . . . . 0.0 116.815 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.87 -51.35 67.35 Favored 'General case' 0 CA--C 1.576 1.952 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.948 176.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.31 -38.94 69.33 Favored 'General case' 0 CA--C 1.59 2.499 0 C-N-CA 124.205 1.002 . . . . 0.0 111.664 175.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.84 -53.26 53.46 Favored 'General case' 0 CA--C 1.563 1.46 0 O-C-N 120.522 -1.361 . . . . 0.0 109.992 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.499 2.003 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 176.585 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.513 2.675 0 CA-C-O 117.527 -1.225 . . . . 0.0 114.172 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 64.51 -46.2 0.31 Allowed 'General case' 0 N--CA 1.533 3.677 0 CA-C-N 123.413 2.824 . . . . 0.0 113.341 -173.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -70.71 -20.2 62.68 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 125.887 1.675 . . . . 0.0 113.654 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.28 -36.95 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 CA-C-N 120.15 1.341 . . . . 0.0 111.699 172.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.429 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 3.2 mp -68.25 -45.77 72.28 Favored 'General case' 0 CA--C 1.562 1.422 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -41.82 82.69 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 117.692 -1.146 . . . . 0.0 110.918 175.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.3 -46.25 89.58 Favored 'General case' 0 CA--C 1.562 1.407 0 CA-C-N 121.091 1.769 . . . . 0.0 113.832 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -49.02 71.79 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 121.109 1.777 . . . . 0.0 110.398 175.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -62.06 -36.6 82.12 Favored 'General case' 0 CA--C 1.579 2.079 0 CA-C-O 117.799 -1.096 . . . . 0.0 112.697 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.6 mt -76.74 -19.96 57.06 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-N 121.109 1.777 . . . . 0.0 111.812 173.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -40.17 96.41 Favored 'General case' 0 CA--C 1.581 2.153 0 CA-C-N 121.745 2.066 . . . . 0.0 110.115 170.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -73.92 72.95 1.62 Allowed 'General case' 0 CA--C 1.586 2.351 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.3 -11.72 0.55 Allowed 'General case' 0 CA--C 1.616 3.517 0 O-C-N 118.609 -2.557 . . . . 0.0 113.916 172.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -98.2 -9.55 25.49 Favored 'General case' 0 CA--C 1.585 2.312 0 C-N-CA 125.647 1.579 . . . . 0.0 111.963 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 74.98 -11.92 1.01 Allowed 'General case' 0 N--CA 1.507 2.388 0 CA-C-N 122.538 2.426 . . . . 0.0 114.794 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.0 t -57.58 -24.05 54.07 Favored 'General case' 0 CA--C 1.568 1.653 0 C-N-CA 125.866 1.667 . . . . 0.0 114.897 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.2 53.49 13.9 Favored Glycine 0 C--N 1.354 1.559 0 N-CA-C 119.196 2.438 . . . . 0.0 119.196 176.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.8 109.94 2.35 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 123.678 0.791 . . . . 0.0 109.362 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.7 mp -100.0 122.13 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.7 t -104.51 176.85 5.02 Favored 'General case' 0 CA--C 1.583 2.222 0 CA-C-O 124.402 2.049 . . . . 0.0 106.113 173.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.25 -48.9 35.04 Favored 'General case' 0 N--CA 1.507 2.407 0 N-CA-C 117.637 2.458 . . . . 0.0 117.637 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -58.2 -40.0 80.46 Favored 'General case' 0 CA--C 1.582 2.186 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.7 -30.11 66.59 Favored 'General case' 0 N--CA 1.512 2.644 0 CA-C-N 120.549 1.522 . . . . 0.0 109.294 174.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.94 -45.96 74.92 Favored 'General case' 0 N--CA 1.508 2.452 0 CA-C-N 121.692 2.042 . . . . 0.0 109.468 170.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -56.02 -48.76 75.36 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 125.48 1.512 . . . . 0.0 111.286 173.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -54.05 -48.85 70.12 Favored 'General case' 0 N--CA 1.502 2.133 0 CA-C-N 118.698 0.681 . . . . 0.0 112.723 175.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.52 -44.62 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.032 178.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.12 -38.81 40.79 Favored 'General case' 0 CA--C 1.58 2.118 0 CA-C-N 120.647 1.567 . . . . 0.0 113.269 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -71.8 -43.96 64.77 Favored 'General case' 0 CA--C 1.583 2.217 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.909 172.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -54.36 -56.62 16.72 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 125.15 1.38 . . . . 0.0 113.503 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.317 9.0 mp -51.63 -37.1 48.65 Favored 'General case' 0 CA--C 1.556 1.173 0 N-CA-C 117.762 2.504 . . . . 0.0 117.762 174.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.26 -39.89 2.64 Favored Glycine 0 CA--C 1.547 2.071 0 CA-C-N 112.91 -1.95 . . . . 0.0 113.647 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -86.85 84.56 7.33 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -81.64 115.52 20.94 Favored 'General case' 0 CA--C 1.558 1.279 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -176.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 mp -70.69 145.02 50.82 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 14.1 t -75.89 163.59 27.06 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.784 -1.198 . . . . 0.0 112.777 -177.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -43.21 -46.66 6.16 Favored 'General case' 0 CA--C 1.572 1.821 0 N-CA-C 118.087 2.625 . . . . 0.0 118.087 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.94 -49.08 74.0 Favored 'General case' 0 CA--C 1.574 1.883 0 CA-C-N 113.116 -1.856 . . . . 0.0 111.496 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -54.7 -51.41 65.65 Favored 'General case' 0 N--CA 1.505 2.281 0 C-N-CA 123.826 0.85 . . . . 0.0 112.879 176.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.72 -45.84 88.68 Favored 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 124.79 1.236 . . . . 0.0 113.204 177.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.439 HE22 ' CG2' ' A' ' 146' ' ' ILE . 0.8 OUTLIER -67.85 -34.67 77.16 Favored 'General case' 0 CA--C 1.572 1.82 0 CA-C-N 120.255 1.389 . . . . 0.0 112.523 177.602 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -60.44 -44.76 95.48 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 121.004 1.729 . . . . 0.0 109.753 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.83 -43.19 76.75 Favored 'General case' 0 CA--C 1.579 2.095 0 C-N-CA 124.947 1.299 . . . . 0.0 111.583 174.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.439 ' CG2' HE22 ' A' ' 143' ' ' GLN . 9.7 mm -58.91 -60.01 2.97 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-O 115.877 -2.011 . . . . 0.0 109.884 175.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.4 -36.81 61.88 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 121.603 2.001 . . . . 0.0 114.158 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.52 -52.15 66.55 Favored 'General case' 0 N--CA 1.516 2.848 0 CA-C-O 121.92 0.866 . . . . 0.0 109.919 172.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.52 81.37 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.565 173.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.261 0.0 OUTLIER -78.9 40.5 0.4 Allowed 'General case' 0 CA--C 1.585 2.304 0 C-N-CA 127.565 2.346 . . . . 0.0 114.505 179.439 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -59.7 -33.24 71.35 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 117.518 -3.239 . . . . 0.0 116.664 -178.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -69.28 -27.07 65.09 Favored 'General case' 0 CA--C 1.59 2.485 0 C-N-CA 123.693 0.797 . . . . 0.0 112.799 175.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 102.24 63.53 0.73 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 121.67 3.428 . . . . 0.0 121.67 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -132.97 -4.34 3.14 Favored 'General case' 0 CA--C 1.592 2.568 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 176.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 73.14 16.0 78.61 Favored Glycine 0 N--CA 1.51 3.622 0 CA-C-N 123.287 2.767 . . . . 0.0 117.781 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.11 163.45 33.8 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 126.164 1.786 . . . . 0.0 109.964 -177.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.3 t -99.88 110.11 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.33 171.86 7.51 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-O 123.235 1.493 . . . . 0.0 110.677 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -47.52 45.21 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 115.251 -2.309 . . . . 0.0 115.741 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.481 ' HA ' ' CD2' ' A' ' 163' ' ' LEU 0.263 3.2 pp0? -63.25 -35.36 80.08 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-N 123.745 2.975 . . . . 0.0 113.791 178.081 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.92 -30.3 63.78 Favored 'General case' 0 N--CA 1.517 2.906 0 CA-C-N 123.067 2.667 . . . . 0.0 111.781 174.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 107' ' ' LEU . 7.6 t80 -60.92 -55.95 26.89 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.664 1.585 . . . . 0.0 112.435 175.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.481 ' CD2' ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -80.01 -41.66 25.38 Favored 'General case' 0 CA--C 1.575 1.93 0 CA-C-O 117.472 -1.251 . . . . 0.0 114.045 178.191 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -66.22 -19.9 65.96 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 122.478 2.399 . . . . 0.0 117.36 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.269 4.6 tp . . . . . 0 N--CA 1.508 2.434 0 C-N-CA 130.516 3.526 . . . . 0.0 117.628 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 . . . . . 0 N--CA 1.498 1.974 0 N-CA-C 116.126 1.898 . . . . 0.0 116.126 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.36 -43.63 99.11 Favored Glycine 0 N--CA 1.503 3.125 0 CA-C-N 121.052 1.751 . . . . 0.0 114.887 175.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.22 -47.52 70.58 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.321 1.048 . . . . 0.0 111.604 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -41.2 78.78 Favored 'General case' 0 CA--C 1.585 2.301 0 C-N-CA 124.162 0.985 . . . . 0.0 110.629 175.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 2.1 tm? -57.83 -57.81 11.12 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 125.661 1.584 . . . . 0.0 112.052 175.12 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.507 2.407 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 178.495 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt . . . . . 0 N--CA 1.501 2.092 0 CA-C-O 116.63 -1.653 . . . . 0.0 115.03 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -46.26 -32.68 3.22 Favored 'General case' 0 CA--C 1.591 2.533 0 N-CA-C 117.471 2.397 . . . . 0.0 117.471 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -26.24 68.56 Favored 'General case' 0 CA--C 1.56 1.347 0 CA-C-O 115.974 -1.965 . . . . 0.0 114.291 175.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -41.04 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.731 0 CA-C-N 122.985 2.63 . . . . 0.0 111.087 173.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.485 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 3.6 mp -68.94 -44.04 73.86 Favored 'General case' 0 CA--C 1.561 1.404 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -64.64 -42.85 95.17 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-N 119.416 1.007 . . . . 0.0 111.356 174.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.46 69.51 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.464 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.3 t80 -67.13 -43.22 82.91 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-O 118.63 -0.7 . . . . 0.0 111.76 177.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -69.03 -31.12 69.68 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 117.333 -1.318 . . . . 0.0 113.384 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.8 -28.53 60.76 Favored 'General case' 0 CA--C 1.574 1.883 0 CA-C-N 122.437 2.381 . . . . 0.0 111.164 171.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.76 -37.55 73.86 Favored 'General case' 0 CA--C 1.56 1.35 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 174.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -84.17 51.18 2.01 Favored 'General case' 0 CA--C 1.6 2.897 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -43.69 -29.24 0.49 Allowed 'General case' 0 N--CA 1.512 2.642 0 N-CA-C 118.411 2.745 . . . . 0.0 118.411 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -86.73 -56.66 3.3 Favored 'General case' 0 CA--C 1.556 1.185 0 CA-C-O 116.486 -1.721 . . . . 0.0 112.428 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 165.56 -22.54 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.542 0 CA-C-N 121.162 1.801 . . . . 0.0 115.117 -174.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.449 ' C ' ' H ' ' A' ' 120' ' ' LYS . 2.7 t -84.3 69.81 10.52 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.148 1.779 . . . . 0.0 112.364 -177.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.75 52.66 0.15 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 119.845 2.698 . . . . 0.0 119.845 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 118' ' ' THR . 4.2 mmpt? -145.49 122.43 11.33 Favored 'General case' 0 CA--C 1.583 2.238 1 N-CA-C 99.175 -4.38 . . . . 0.0 99.175 178.093 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.4 mp -99.72 120.34 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.382 0 CA-C-N 123.836 3.016 . . . . 0.0 109.065 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.0 t -100.16 169.88 8.85 Favored 'General case' 0 CA--C 1.589 2.467 0 CA-C-N 111.591 -2.55 . . . . 0.0 105.651 173.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -52.08 -37.91 55.5 Favored 'General case' 0 N--CA 1.511 2.581 0 N-CA-C 117.05 2.241 . . . . 0.0 117.05 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -60.95 -39.4 89.34 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.918 -1.114 . . . . 0.0 113.202 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -37.07 83.46 Favored 'General case' 0 CA--C 1.585 2.309 0 O-C-N 121.596 -0.69 . . . . 0.0 109.729 175.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 93.6 mt -53.72 -44.5 69.93 Favored 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 119.884 1.22 . . . . 0.0 110.603 172.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -60.93 -44.75 96.77 Favored 'General case' 0 CA--C 1.572 1.808 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.915 174.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -50.9 -53.92 28.52 Favored 'General case' 0 N--CA 1.508 2.428 0 CA-C-N 119.682 1.128 . . . . 0.0 112.451 175.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 3.5 t -72.59 -32.42 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.55 73.43 Favored 'General case' 0 CA--C 1.57 1.744 0 C-N-CA 124.013 0.925 . . . . 0.0 110.939 175.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -68.37 -33.93 75.14 Favored 'General case' 0 CA--C 1.575 1.941 0 CA-C-N 119.844 1.202 . . . . 0.0 113.53 174.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.43 -46.47 80.24 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-N 120.395 1.452 . . . . 0.0 114.891 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.372 5.2 mp -71.05 -54.39 11.33 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.172 2.189 . . . . 0.0 114.104 177.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.65 -47.85 1.21 Allowed Glycine 0 N--CA 1.485 1.916 0 CA-C-O 118.913 -0.937 . . . . 0.0 112.209 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.56 83.82 5.42 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 178.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . 0.282 7.8 p30 -116.35 -134.61 0.34 Allowed 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.84 -125.41 0.16 Allowed 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 -177.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 7.0 t -154.14 163.34 40.27 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.385 -1.447 . . . . 0.0 108.585 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -39.95 -53.69 2.3 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 116.698 2.111 . . . . 0.0 116.698 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.49 -45.06 92.45 Favored 'General case' 0 CA--C 1.575 1.939 0 C-N-CA 125.45 1.5 . . . . 0.0 112.717 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -63.96 -46.73 83.33 Favored 'General case' 0 CA--C 1.583 2.241 0 C-N-CA 124.429 1.092 . . . . 0.0 111.046 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.9 mt -56.57 -37.41 70.55 Favored 'General case' 0 CA--C 1.579 2.072 0 CA-C-N 121.248 1.84 . . . . 0.0 110.891 172.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -70.12 -36.23 74.67 Favored 'General case' 0 CA--C 1.569 1.695 0 CA-C-O 117.649 -1.167 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.06 -38.85 90.33 Favored 'General case' 0 CA--C 1.586 2.356 0 CA-C-N 120.674 1.579 . . . . 0.0 109.941 173.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.9 mtt -61.07 -39.67 90.76 Favored 'General case' 0 CA--C 1.584 2.264 0 O-C-N 121.323 -0.861 . . . . 0.0 111.227 173.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 5.9 mm -62.16 -56.95 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.621 -1.299 . . . . 0.0 110.302 173.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.75 -39.62 62.34 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -71.58 -39.98 70.23 Favored 'General case' 0 CA--C 1.592 2.587 0 CA-C-N 119.557 1.071 . . . . 0.0 113.397 173.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.12 -29.99 43.5 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 120.45 3.5 . . . . 0.0 120.45 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.23 61.86 0.03 OUTLIER 'General case' 0 CA--C 1.588 2.422 0 N-CA-C 118.965 2.95 . . . . 0.0 118.965 -176.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -52.75 -38.11 60.42 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 118.736 -2.477 . . . . 0.0 114.33 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -32.31 73.15 Favored 'General case' 0 CA--C 1.579 2.093 0 CA-C-O 118.083 -0.96 . . . . 0.0 113.208 176.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 93.9 112.78 2.33 Favored Glycine 0 CA--C 1.553 2.421 0 N-CA-C 117.515 1.766 . . . . 0.0 117.515 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . 0.265 15.3 t70 123.07 -57.13 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.38 0 C-N-CA 127.573 2.349 . . . . 0.0 108.567 178.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 175.34 48.89 0.06 OUTLIER Glycine 0 N--CA 1.482 1.705 0 N-CA-C 120.139 2.816 . . . . 0.0 120.139 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.0 145.46 15.3 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 121.31 2.555 . . . . 0.0 114.107 178.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 20.2 t -99.87 123.55 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.6 m -100.83 176.41 5.3 Favored 'General case' 0 CA--C 1.573 1.836 0 CA-C-O 124.718 2.199 . . . . 0.0 113.589 -177.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.275 81.3 tt0 -52.81 -50.08 64.39 Favored 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 112.541 -2.118 . . . . 0.0 115.322 -178.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -65.5 -31.46 72.55 Favored 'General case' 0 CA--C 1.585 2.298 0 CA-C-N 122.521 2.418 . . . . 0.0 110.965 175.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -67.33 -28.94 68.39 Favored 'General case' 0 N--CA 1.519 2.98 0 CA-C-N 122.893 2.588 . . . . 0.0 112.868 176.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.485 ' CE1' ' HA ' ' A' ' 107' ' ' LEU 0.276 5.3 t80 -68.96 -40.81 78.69 Favored 'General case' 0 CA--C 1.583 2.228 0 C-N-CA 127.652 2.381 . . . . 0.0 111.768 171.855 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.38 -32.75 55.14 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 126.968 2.107 . . . . 0.0 113.632 177.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -46.91 -19.95 0.12 Allowed 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 116.605 2.076 . . . . 0.0 116.605 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.1 tp . . . . . 0 CA--C 1.592 2.558 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 175.674 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 CA--C 1.582 2.178 0 CA-C-O 116.773 -1.584 . . . . 0.0 114.433 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.05 -42.82 94.39 Favored Glycine 0 N--CA 1.498 2.795 0 CA-C-N 123.447 2.84 . . . . 0.0 114.183 176.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -64.33 -41.96 96.52 Favored 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 124.247 1.019 . . . . 0.0 110.909 176.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -58.23 -49.62 76.45 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 120.459 1.481 . . . . 0.0 108.296 173.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.5 tt -50.4 -56.39 11.63 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 124.467 1.107 . . . . 0.0 113.829 176.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.4 m . . . . . 0 N--CA 1.502 2.152 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 176.031 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER . . . . . 0 N--CA 1.513 2.678 0 CA-C-O 118.136 -0.935 . . . . 0.0 108.772 . . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 72.87 -55.62 0.68 Allowed 'General case' 0 N--CA 1.531 3.589 0 CA-C-N 123.979 3.082 . . . . 0.0 110.503 -174.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.94 -36.5 12.57 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 128.021 2.528 . . . . 0.0 114.583 176.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 58.2 mt -63.9 -53.6 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 CA-C-N 121.926 2.148 . . . . 0.0 109.089 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . 0.263 0.2 OUTLIER -69.64 -40.53 76.46 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 179.653 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -69.03 -45.87 69.39 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-O 116.973 -1.489 . . . . 0.0 112.619 175.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.24 -46.0 68.4 Favored 'General case' 0 C--N 1.365 1.256 0 CA-C-N 121.867 2.121 . . . . 0.0 111.519 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.446 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 13.7 t80 -64.02 -43.9 94.18 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 122.543 2.429 . . . . 0.0 112.966 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -66.52 -36.68 83.29 Favored 'General case' 0 CA--C 1.586 2.361 0 CA-C-N 120.743 1.611 . . . . 0.0 111.414 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.9 mt -78.8 -19.92 50.99 Favored 'General case' 0 CA--C 1.586 2.343 0 CA-C-N 122.536 2.425 . . . . 0.0 113.268 174.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -40.29 88.11 Favored 'General case' 0 CA--C 1.568 1.665 0 C-N-CA 126.026 1.73 . . . . 0.0 110.128 171.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -79.21 80.39 5.57 Favored 'General case' 0 CA--C 1.594 2.65 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -19.51 0.04 OUTLIER 'General case' 0 N--CA 1.513 2.68 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 175.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -92.77 -1.79 56.51 Favored 'General case' 0 CA--C 1.591 2.523 0 CA-C-N 120.8 1.637 . . . . 0.0 112.441 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 70.5 -5.1 1.46 Allowed 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.717 ' HG1' ' N ' ' A' ' 119' ' ' GLY . 11.9 p -65.66 -51.29 60.68 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 125.825 1.65 . . . . 0.0 110.366 177.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.717 ' N ' ' HG1' ' A' ' 118' ' ' THR . . . 101.15 73.07 1.01 Allowed Glycine 0 CA--C 1.536 1.388 0 N-CA-C 115.231 0.853 . . . . 0.0 115.231 179.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -159.36 113.48 2.34 Favored 'General case' 0 CA--C 1.565 1.548 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 177.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.4 mp -99.79 124.89 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.401 0 CA-C-O 124.054 1.883 . . . . 0.0 111.154 -176.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' SER . . . . . 0.409 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 82.3 p -106.11 169.17 8.66 Favored 'General case' 0 CA--C 1.578 2.025 0 CA-C-N 110.314 -3.13 . . . . 0.0 106.473 174.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -52.99 -33.49 51.7 Favored 'General case' 0 CA--C 1.583 2.238 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -44.47 93.39 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 177.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 122' ' ' SER . 0.2 OUTLIER -60.62 -42.87 97.75 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.67 175.836 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 78.8 mt -53.87 -46.29 71.27 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 119.529 1.059 . . . . 0.0 112.241 174.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -58.5 -50.79 72.48 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 117.44 -1.267 . . . . 0.0 113.043 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -60.02 -45.15 93.72 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-O 117.191 -1.385 . . . . 0.0 112.206 177.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -54.94 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-N 120.735 1.607 . . . . 0.0 110.312 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.8 -42.18 5.43 Favored 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 115.721 1.748 . . . . 0.0 115.721 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -22.21 42.5 Favored 'General case' 0 CA--C 1.594 2.643 0 CA-C-N 120.036 1.289 . . . . 0.0 113.05 172.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -75.46 -42.9 52.05 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 119.432 3.123 . . . . 0.0 119.432 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.28 -47.19 84.43 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 161.68 -42.5 0.39 Allowed Glycine 0 N--CA 1.487 2.053 0 N-CA-C 117.364 1.706 . . . . 0.0 117.364 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -123.13 122.21 37.88 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-N 119.383 1.591 . . . . 0.0 109.32 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -83.54 150.82 25.72 Favored 'General case' 0 CA--C 1.573 1.852 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.09 -130.79 0.3 Allowed 'General case' 0 CA--C 1.567 1.627 0 C-N-CA 125.692 1.597 . . . . 0.0 108.43 -178.7 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.0 t -152.98 160.61 43.04 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 126.221 2.915 . . . . 0.0 111.581 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -43.21 -52.06 5.8 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-N 109.468 -3.514 . . . . 0.0 115.932 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -60.23 -42.32 94.97 Favored 'General case' 0 CA--C 1.569 1.673 0 C-N-CA 125.463 1.505 . . . . 0.0 113.643 178.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -59.27 -51.34 70.4 Favored 'General case' 0 CA--C 1.584 2.283 0 C-N-CA 123.95 0.9 . . . . 0.0 109.93 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.8 mp -57.56 -43.07 84.22 Favored 'General case' 0 CA--C 1.56 1.338 0 O-C-N 120.137 -1.602 . . . . 0.0 114.312 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.515 HE22 ' CG2' ' A' ' 146' ' ' ILE 0.274 1.0 OUTLIER -67.45 -32.51 73.41 Favored 'General case' 0 CA--C 1.567 1.613 0 CA-C-N 119.997 1.271 . . . . 0.0 112.185 178.855 . . . . . . . . 4 4 . 1 . 018 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.11 -42.13 98.92 Favored 'General case' 0 CA--C 1.587 2.371 0 CA-C-N 120.715 1.598 . . . . 0.0 109.903 173.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 38.6 mmt -59.66 -43.46 93.93 Favored 'General case' 0 CA--C 1.58 2.097 0 C-N-CA 123.592 0.757 . . . . 0.0 112.11 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.515 ' CG2' HE22 ' A' ' 143' ' ' GLN . 14.8 mm -59.81 -54.88 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 124.948 1.299 . . . . 0.0 111.319 175.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.76 -39.55 71.34 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 118.293 -0.86 . . . . 0.0 113.306 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -69.25 -38.27 78.36 Favored 'General case' 0 CA--C 1.597 2.785 0 CA-C-N 120.337 1.426 . . . . 0.0 113.561 173.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -74.7 -40.4 61.37 Favored 'General case' 0 CA--C 1.574 1.888 0 N-CA-C 118.906 2.928 . . . . 0.0 118.906 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.293 26.1 t70 -67.8 49.42 0.05 Allowed 'General case' 0 CA--C 1.594 2.651 0 C-N-CA 126.903 2.081 . . . . 0.0 115.743 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.293 3.4 tmm_? -39.78 -50.11 2.36 Favored 'General case' 0 N--CA 1.51 2.546 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -173.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -142.97 55.08 1.38 Allowed 'General case' 0 CA--C 1.578 2.051 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 173.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -114.25 -141.58 7.75 Favored Glycine 0 CA--C 1.563 3.054 0 CA-C-N 122.434 2.379 . . . . 0.0 114.214 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -129.44 42.53 3.28 Favored 'General case' 0 CA--C 1.599 2.846 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 76.95 31.0 54.95 Favored Glycine 1 CA--C 1.58 4.133 0 CA-C-N 124.11 3.141 . . . . 0.0 110.107 -169.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -160.05 154.66 24.06 Favored 'General case' 0 CA--C 1.579 2.085 0 C-N-CA 126.21 1.804 . . . . 0.0 111.488 -175.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 9.7 t -99.84 121.63 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.378 0 O-C-N 119.921 -1.737 . . . . 0.0 108.283 -176.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.4 p -99.85 172.48 7.22 Favored 'General case' 0 CA--C 1.575 1.907 0 CA-C-O 123.602 1.668 . . . . 0.0 111.984 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.9 -50.03 8.17 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 116.264 1.95 . . . . 0.0 116.264 178.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . 0.26 3.1 pt20 -61.17 -40.12 92.7 Favored 'General case' 0 CA--C 1.581 2.169 0 CA-C-N 122.06 2.209 . . . . 0.0 113.431 178.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.59 -30.56 67.27 Favored 'General case' 0 CA--C 1.586 2.355 0 CA-C-N 120.487 1.494 . . . . 0.0 111.71 173.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.446 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 1.6 t80 -64.84 -45.77 84.71 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 175.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.98 -47.62 14.67 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 117.318 -1.325 . . . . 0.0 112.123 -176.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -79.97 -60.21 2.43 Favored 'General case' 0 CA--C 1.566 1.573 0 CA-C-N 121.071 1.76 . . . . 0.0 113.152 177.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.3 tp . . . . . 0 CA--C 1.587 2.379 0 C-N-CA 130.992 3.717 . . . . 0.0 108.496 -177.126 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 117.86 -1.067 . . . . 0.0 113.528 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.1 -49.44 71.61 Favored Glycine 0 N--CA 1.489 2.189 0 CA-C-N 120.812 1.642 . . . . 0.0 114.091 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.44 -51.69 66.5 Favored 'General case' 0 CA--C 1.572 1.796 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.756 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -50.74 -45.76 58.85 Favored 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.931 1.242 . . . . 0.0 112.224 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.12 -56.58 20.34 Favored 'General case' 0 CA--C 1.565 1.539 0 C-N-CA 124.726 1.21 . . . . 0.0 110.454 174.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.5 2.063 0 C-N-CA 125.065 1.346 . . . . 0.0 113.755 176.47 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.256 0.0 OUTLIER . . . . . 0 N--CA 1.512 2.643 0 CA-C-O 118.09 -0.957 . . . . 0.0 112.63 . . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 69.31 -48.97 0.6 Allowed 'General case' 0 N--CA 1.533 3.717 0 CA-C-N 123.138 2.699 . . . . 0.0 113.586 -173.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -71.86 -19.97 61.88 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 127.505 2.322 . . . . 0.0 113.524 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -46.62 -42.27 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.936 0 CA-C-N 123.847 3.022 . . . . 0.0 112.463 175.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 mp -70.47 -43.5 69.68 Favored 'General case' 0 CA--C 1.564 1.512 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 177.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -68.95 -38.75 79.62 Favored 'General case' 0 CA--C 1.564 1.508 0 CA-C-O 117.817 -1.087 . . . . 0.0 112.273 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.02 -48.24 71.81 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-N 120.964 1.711 . . . . 0.0 112.415 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.5 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.7 t80 -66.65 -46.32 76.12 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 121.1 1.773 . . . . 0.0 111.357 176.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -32.23 73.79 Favored 'General case' 0 CA--C 1.578 2.044 0 CA-C-N 120.272 1.396 . . . . 0.0 112.305 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 46.9 mt -76.57 -19.91 57.38 Favored 'General case' 0 CA--C 1.59 2.512 0 CA-C-N 122.004 2.184 . . . . 0.0 111.387 172.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -46.65 74.77 Favored 'General case' 0 CA--C 1.568 1.66 0 CA-C-N 121.558 1.981 . . . . 0.0 112.01 172.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -80.39 71.98 7.23 Favored 'General case' 0 CA--C 1.585 2.303 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -48.67 -16.85 0.13 Allowed 'General case' 0 CA--C 1.598 2.818 0 N-CA-C 117.021 2.23 . . . . 0.0 117.021 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -95.22 3.7 54.33 Favored 'General case' 0 CA--C 1.59 2.493 0 CA-C-N 120.554 1.525 . . . . 0.0 112.072 176.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 69.36 -3.72 1.51 Allowed 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 118.905 2.928 . . . . 0.0 118.905 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.5 t -75.97 -26.86 57.19 Favored 'General case' 0 CA--C 1.567 1.604 0 O-C-N 120.452 -1.405 . . . . 0.0 113.934 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 75.15 67.33 1.75 Allowed Glycine 0 C--N 1.355 1.637 0 N-CA-C 118.663 2.225 . . . . 0.0 118.663 177.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.0 109.89 4.31 Favored 'General case' 0 CA--C 1.579 2.058 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -104.42 123.26 58.2 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.408 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 177.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.58 165.72 10.86 Favored 'General case' 0 CA--C 1.581 2.135 0 CA-C-N 112.366 -2.197 . . . . 0.0 107.222 175.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -44.89 -45.25 10.22 Favored 'General case' 0 N--CA 1.511 2.598 0 N-CA-C 119.091 2.997 . . . . 0.0 119.091 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -62.62 -44.8 95.39 Favored 'General case' 0 CA--C 1.579 2.085 0 CA-C-N 114.086 -1.415 . . . . 0.0 112.237 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.262 0.7 OUTLIER -67.21 -31.26 71.53 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 119.909 1.231 . . . . 0.0 108.755 174.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.1 mt -54.87 -44.67 74.24 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-N 122.363 2.347 . . . . 0.0 110.68 171.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -56.59 -50.55 71.62 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 124.514 1.126 . . . . 0.0 112.41 175.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -47.65 85.08 Favored 'General case' 0 N--CA 1.504 2.265 0 CA-C-O 117.304 -1.332 . . . . 0.0 111.975 177.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.2 t -66.96 -33.49 63.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 CA-C-N 119.988 1.267 . . . . 0.0 112.133 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.98 -50.53 72.4 Favored 'General case' 0 CA--C 1.569 1.682 0 CA-C-N 119.656 1.116 . . . . 0.0 111.426 175.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -77.34 -33.1 55.49 Favored 'General case' 0 CA--C 1.587 2.391 0 CA-C-N 120.197 1.362 . . . . 0.0 114.61 174.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -72.22 -22.3 61.28 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 117.346 2.35 . . . . 0.0 117.346 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.71 -72.38 0.23 Allowed 'General case' 0 CA--C 1.564 1.515 0 C-N-CA 124.775 1.23 . . . . 0.0 111.641 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -159.78 -48.33 0.01 OUTLIER Glycine 0 N--CA 1.487 2.073 0 CA-C-O 118.622 -1.099 . . . . 0.0 115.363 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.98 139.69 32.5 Favored 'General case' 0 CA--C 1.574 1.886 0 CA-C-N 119.375 1.587 . . . . 0.0 106.734 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -67.13 167.05 12.74 Favored 'General case' 0 CA--C 1.579 2.077 0 N-CA-C 119.417 3.117 . . . . 0.0 119.417 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 5.7 tp -136.96 131.93 33.68 Favored 'General case' 0 CA--C 1.575 1.934 0 N-CA-C 104.422 -2.436 . . . . 0.0 104.422 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.3 t -78.98 166.45 22.35 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 123.533 1.635 . . . . 0.0 114.359 -175.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -40.15 -52.15 2.59 Favored 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.65 -45.84 90.96 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 125.235 1.414 . . . . 0.0 112.212 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -56.24 -55.55 31.92 Favored 'General case' 0 N--CA 1.507 2.404 0 CA-C-O 122.341 1.067 . . . . 0.0 112.024 176.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 16.2 mt -58.17 -35.97 72.36 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 124.833 1.253 . . . . 0.0 112.984 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.261 22.4 tp60 -72.43 -36.69 68.65 Favored 'General case' 0 CA--C 1.566 1.57 0 CA-C-N 120.441 1.473 . . . . 0.0 111.131 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.52 -41.34 94.19 Favored 'General case' 0 CA--C 1.587 2.396 0 CA-C-N 120.741 1.609 . . . . 0.0 110.116 172.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.3 mmt -60.28 -42.32 95.21 Favored 'General case' 0 CA--C 1.579 2.068 0 C-N-CA 123.34 0.656 . . . . 0.0 111.598 174.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.5 mm -58.39 -60.11 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-O 116.604 -1.665 . . . . 0.0 110.447 175.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -55.88 -41.72 74.88 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 116.933 -1.508 . . . . 0.0 113.186 -177.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -39.27 86.56 Favored 'General case' 0 N--CA 1.515 2.792 0 CA-C-N 122.736 2.516 . . . . 0.0 112.97 174.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . 0.261 . . -80.04 -26.48 39.72 Favored 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 120.268 3.433 . . . . 0.0 120.268 177.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.82 12.66 0.48 Allowed 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 121.644 3.942 . . . . 0.0 121.644 -175.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.278 0.3 OUTLIER -45.53 -44.22 12.51 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 121.308 3.818 . . . . 0.0 121.308 -172.702 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -116.12 50.83 1.0 Allowed 'General case' 0 CA--C 1.575 1.921 0 CA-C-N 119.494 1.043 . . . . 0.0 109.448 175.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -148.73 -144.39 3.95 Favored Glycine 0 CA--C 1.563 3.033 0 O-C-N 119.803 -1.811 . . . . 0.0 113.845 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -129.5 47.49 2.49 Favored 'General case' 0 CA--C 1.599 2.841 0 N-CA-C 104.16 -2.533 . . . . 0.0 104.16 -178.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 82.59 31.69 29.49 Favored Glycine 0 CA--C 1.571 3.551 0 CA-C-N 124.54 3.336 . . . . 0.0 113.071 -173.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -152.05 154.77 36.61 Favored 'General case' 0 CA--C 1.568 1.641 0 C-N-CA 126.455 1.902 . . . . 0.0 108.84 -178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.3 t -99.8 125.39 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.662 -1.273 . . . . 0.0 110.112 -175.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.02 170.4 8.52 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 125.289 1.436 . . . . 0.0 111.567 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.287 0.0 OUTLIER -54.07 -46.71 72.06 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -178.608 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -67.27 -33.25 74.92 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 119.516 -1.99 . . . . 0.0 112.288 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.262 2.3 pt-20 -73.05 -23.25 60.55 Favored 'General case' 0 CA--C 1.604 3.041 0 CA-C-N 121.619 2.009 . . . . 0.0 110.411 172.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.2 OUTLIER -65.45 -41.86 92.98 Favored 'General case' 0 N--CA 1.508 2.458 0 C-N-CA 126.75 2.02 . . . . 0.0 111.427 170.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -28.72 55.04 Favored 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 126.803 2.041 . . . . 0.0 112.616 176.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -21.16 1.33 Allowed 'General case' 0 N--CA 1.504 2.228 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.575 1.926 0 C-N-CA 125.256 1.422 . . . . 0.0 114.126 175.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 116.396 -1.764 . . . . 0.0 115.159 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -53.95 -33.12 49.96 Favored Glycine 0 N--CA 1.498 2.772 0 CA-C-N 122.616 2.462 . . . . 0.0 116.603 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -70.0 -54.32 13.76 Favored 'General case' 0 CA--C 1.578 2.033 0 C-N-CA 123.859 0.863 . . . . 0.0 110.437 175.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -56.65 -43.73 80.62 Favored 'General case' 0 N--CA 1.512 2.64 0 CA-C-N 121.051 1.75 . . . . 0.0 111.179 174.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.63 -55.18 38.34 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 125.282 1.433 . . . . 0.0 113.043 175.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.506 2.334 0 CA-C-N 118.724 0.693 . . . . 0.0 112.273 178.073 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER . . . . . 0 N--CA 1.515 2.809 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 . . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 67.46 -47.87 0.5 Allowed 'General case' 0 N--CA 1.535 3.777 0 CA-C-N 123.201 2.728 . . . . 0.0 110.676 -171.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.38 -33.78 14.55 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 128.452 2.701 . . . . 0.0 115.053 175.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.42 -48.0 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 CA-C-N 123.114 2.688 . . . . 0.0 108.53 175.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 mp -70.89 -43.46 68.3 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -70.12 -40.5 74.83 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 116.782 -1.58 . . . . 0.0 113.537 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.1 -39.37 72.12 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 122.244 2.293 . . . . 0.0 112.342 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.446 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 5.8 t80 -69.85 -47.07 64.08 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 121.455 1.934 . . . . 0.0 111.963 177.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -65.24 -36.09 83.05 Favored 'General case' 0 CA--C 1.587 2.393 0 CA-C-N 120.587 1.54 . . . . 0.0 110.321 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.5 mt -75.28 -20.01 59.38 Favored 'General case' 0 CA--C 1.584 2.264 0 CA-C-N 122.244 2.293 . . . . 0.0 112.916 174.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -64.46 -45.98 85.07 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 122.157 2.253 . . . . 0.0 110.102 171.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -78.43 86.01 4.5 Favored 'General case' 0 CA--C 1.592 2.569 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -47.57 -14.29 0.04 OUTLIER 'General case' 0 CA--C 1.599 2.844 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -105.1 -1.51 25.48 Favored 'General case' 0 CA--C 1.595 2.683 0 C-N-CA 125.36 1.464 . . . . 0.0 112.106 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 73.03 -2.07 2.84 Favored 'General case' 0 CA--C 1.584 2.258 0 N-CA-C 117.649 2.463 . . . . 0.0 117.649 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' THR . . . . . 0.423 ' HG1' ' N ' ' A' ' 119' ' ' GLY . 9.4 p -57.39 -41.75 80.85 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 119.281 -2.137 . . . . 0.0 112.328 176.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . 0.423 ' N ' ' HG1' ' A' ' 118' ' ' THR . . . 92.45 72.75 1.22 Allowed Glycine 0 CA--C 1.534 1.247 0 N-CA-C 116.8 1.48 . . . . 0.0 116.8 178.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.06 110.06 4.12 Favored 'General case' 0 CA--C 1.58 2.112 0 CA-C-O 118.57 -0.728 . . . . 0.0 111.742 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -111.23 128.06 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.355 0 CA-C-N 121.474 1.943 . . . . 0.0 109.015 178.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.6 p -108.95 172.24 6.96 Favored 'General case' 0 CA--C 1.584 2.255 0 CA-C-N 112.272 -2.24 . . . . 0.0 107.159 172.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.38 -43.51 44.27 Favored 'General case' 0 N--CA 1.516 2.874 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -50.08 56.48 Favored 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.86 -34.11 74.91 Favored 'General case' 0 N--CA 1.503 2.207 0 CA-C-O 116.959 -1.495 . . . . 0.0 109.913 175.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 69.9 mt -58.02 -38.53 76.35 Favored 'General case' 0 N--CA 1.502 2.16 0 CA-C-N 122.629 2.468 . . . . 0.0 112.86 175.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.333 11.9 ptpt -74.42 -33.97 63.13 Favored 'General case' 0 CA--C 1.575 1.937 0 CA-C-O 114.652 -2.594 . . . . 0.0 109.628 175.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . 0.28 0.6 OUTLIER -60.72 -49.2 78.47 Favored 'General case' 0 N--CA 1.512 2.648 0 CA-C-N 124.785 3.448 . . . . 0.0 110.067 173.191 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -45.05 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 120.411 1.46 . . . . 0.0 113.111 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.94 -49.52 71.16 Favored 'General case' 0 CA--C 1.573 1.85 0 CA-C-O 118.387 -0.816 . . . . 0.0 112.648 176.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -20.98 44.07 Favored 'General case' 0 CA--C 1.584 2.272 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 174.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -79.96 -32.1 39.9 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.8 mt -75.25 -74.36 0.21 Allowed 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 124.868 1.267 . . . . 0.0 112.283 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -163.37 -44.98 0.02 OUTLIER Glycine 0 N--CA 1.488 2.13 0 CA-C-O 117.54 -1.7 . . . . 0.0 117.175 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -129.29 109.33 11.02 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 120.563 2.181 . . . . 0.0 112.312 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -78.76 122.62 26.25 Favored 'General case' 0 CA--C 1.566 1.559 0 O-C-N 120.943 -1.098 . . . . 0.0 110.747 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 49.5 mt -80.84 -111.61 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.1 t -150.78 156.4 41.2 Favored 'General case' 0 CA--C 1.561 1.381 0 CA-C-O 126.986 3.279 . . . . 0.0 110.623 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -41.56 -48.6 4.0 Favored 'General case' 0 CA--C 1.572 1.814 0 CA-C-N 109.082 -3.69 . . . . 0.0 116.964 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -42.45 96.78 Favored 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 125.121 1.368 . . . . 0.0 113.224 178.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -57.34 -51.76 68.09 Favored 'General case' 0 CA--C 1.578 2.058 0 C-N-CA 124.819 1.248 . . . . 0.0 110.148 174.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.47 -49.63 76.78 Favored 'General case' 0 CA--C 1.564 1.498 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 176.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -66.23 -33.61 76.14 Favored 'General case' 0 CA--C 1.577 2.016 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.899 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -64.75 -39.84 94.3 Favored 'General case' 0 CA--C 1.583 2.227 0 CA-C-N 120.545 1.521 . . . . 0.0 109.34 173.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 21.8 mmt -58.48 -39.54 80.26 Favored 'General case' 0 CA--C 1.578 2.057 0 CA-C-N 119.555 1.071 . . . . 0.0 110.699 173.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 16.7 mm -58.04 -53.5 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 124.631 1.172 . . . . 0.0 110.407 173.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -55.15 -37.66 67.25 Favored 'General case' 0 N--CA 1.503 2.219 0 CA-C-N 119.598 1.09 . . . . 0.0 113.226 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -65.02 -48.14 74.94 Favored 'General case' 0 N--CA 1.512 2.647 0 CA-C-O 122.866 1.317 . . . . 0.0 112.432 172.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -69.54 -32.1 70.71 Favored 'General case' 0 CA--C 1.574 1.895 0 N-CA-C 120.293 3.442 . . . . 0.0 120.293 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -78.56 62.8 3.22 Favored 'General case' 0 CA--C 1.594 2.668 0 C-N-CA 125.791 1.636 . . . . 0.0 112.022 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.55 -44.19 69.04 Favored 'General case' 0 CA--C 1.561 1.39 0 O-C-N 118.245 -2.784 . . . . 0.0 115.832 -178.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -66.49 -30.22 70.51 Favored 'General case' 0 CA--C 1.585 2.317 0 CA-C-N 119.923 1.238 . . . . 0.0 112.785 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 90.14 22.22 36.09 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 120.693 3.037 . . . . 0.0 120.693 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -90.33 -30.95 17.13 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 119.843 1.821 . . . . 0.0 112.717 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 148.18 -22.27 1.4 Allowed Glycine 0 CA--C 1.55 2.251 0 N-CA-C 118.288 2.075 . . . . 0.0 118.288 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.82 177.54 7.17 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-O 123.221 1.486 . . . . 0.0 110.962 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 4.6 t -101.55 121.21 52.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 35.8 m -99.97 170.93 8.17 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-O 122.05 0.928 . . . . 0.0 112.573 -178.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.274 9.3 pt-20 -59.75 -41.53 91.18 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -177.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -36.92 80.53 Favored 'General case' 0 CA--C 1.582 2.197 0 CA-C-N 121.454 1.933 . . . . 0.0 112.413 175.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -20.01 58.65 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.4 -1.437 . . . . 0.0 112.943 176.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.446 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.2 OUTLIER -71.63 -57.5 4.33 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.009 1.724 . . . . 0.0 110.578 174.791 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -60.03 2.49 Favored 'General case' 0 CA--C 1.572 1.794 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . 0.252 6.6 ptt-85 -80.19 -40.37 27.37 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 121.625 3.935 . . . . 0.0 121.625 -175.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.4 tp . . . . . 0 N--CA 1.523 3.221 0 CA-C-N 125.667 3.849 . . . . 0.0 118.388 -178.982 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 CA--C 1.599 2.852 1 N-CA-C 99.799 -4.148 . . . . 0.0 99.799 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -39.79 -38.37 1.11 Allowed Glycine 0 N--CA 1.512 3.736 0 CA-C-N 124.68 3.4 . . . . 0.0 118.435 -177.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -70.19 -52.62 21.96 Favored 'General case' 0 CA--C 1.58 2.114 0 CA-C-O 117.077 -1.439 . . . . 0.0 108.616 171.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.01 -40.6 76.96 Favored 'General case' 0 CA--C 1.6 2.884 0 CA-C-N 122.77 2.532 . . . . 0.0 112.385 175.04 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 tt -58.64 -60.05 4.44 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.002 1.721 . . . . 0.0 111.541 176.175 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.502 2.157 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 178.668 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.515 2.812 0 CA-C-O 117.281 -1.342 . . . . 0.0 110.483 . . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 73.45 -54.68 0.69 Allowed 'General case' 0 N--CA 1.538 3.928 0 CA-C-N 124.028 3.104 . . . . 0.0 107.99 -169.161 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -39.96 -46.26 2.03 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 131.437 3.895 . . . . 0.0 114.57 175.348 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.8 tt -68.96 -41.94 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 CA-C-N 120.51 1.505 . . . . 0.0 112.935 176.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.79 -47.59 52.36 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 179.401 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -68.04 -38.88 83.01 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 120.096 1.317 . . . . 0.0 112.072 176.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.23 -42.3 75.88 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-N 121.353 1.888 . . . . 0.0 113.851 178.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.478 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 9.4 t80 -66.67 -47.26 73.05 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 121.016 1.735 . . . . 0.0 110.562 176.356 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -61.92 -36.63 81.94 Favored 'General case' 0 CA--C 1.575 1.939 0 CA-C-N 120.85 1.659 . . . . 0.0 113.314 -179.451 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.5 mt -80.06 -19.97 46.33 Favored 'General case' 0 CA--C 1.579 2.091 0 CA-C-N 121.984 2.174 . . . . 0.0 112.186 173.512 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -42.25 88.4 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-N 121.334 1.879 . . . . 0.0 111.399 172.562 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.12 75.76 2.97 Favored 'General case' 0 CA--C 1.594 2.638 0 CA-C-N 118.385 0.538 . . . . 0.0 112.084 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -39.97 -11.94 0.01 OUTLIER 'General case' 0 CA--C 1.609 3.222 0 N-CA-C 118.929 2.937 . . . . 0.0 118.929 175.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -100.3 -12.12 19.76 Favored 'General case' 0 CA--C 1.585 2.324 0 C-N-CA 125.77 1.628 . . . . 0.0 112.304 177.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 78.36 -7.99 1.72 Allowed 'General case' 0 CA--C 1.597 2.768 0 C-N-CA 126.768 2.027 . . . . 0.0 115.116 -178.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.9 t -71.79 -21.7 61.68 Favored 'General case' 0 CA--C 1.572 1.813 0 C-N-CA 127.094 2.157 . . . . 0.0 115.25 178.433 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 82.55 65.53 1.61 Allowed Glycine 0 C--N 1.348 1.246 0 N-CA-C 117.668 1.827 . . . . 0.0 117.668 178.637 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.33 124.14 6.1 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 123.789 0.836 . . . . 0.0 108.797 178.509 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . 0.27 0.5 OUTLIER -99.9 119.97 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 N-CA-C 104.101 -2.555 . . . . 0.0 104.101 176.448 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.7 p -100.34 163.13 12.52 Favored 'General case' 0 CA--C 1.584 2.263 0 CA-C-N 111.695 -2.502 . . . . 0.0 106.479 174.318 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.82 -38.55 56.24 Favored 'General case' 0 N--CA 1.521 3.114 0 O-C-N 119.757 -1.839 . . . . 0.0 113.961 177.016 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -54.56 -45.39 73.47 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 124.586 1.155 . . . . 0.0 113.05 177.15 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -65.44 -35.87 82.21 Favored 'General case' 0 CA--C 1.585 2.296 0 CA-C-N 119.296 0.953 . . . . 0.0 109.693 174.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 76.5 mt -58.59 -40.72 84.0 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-N 120.1 1.318 . . . . 0.0 111.506 174.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -61.43 -48.37 81.49 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-N 119.646 1.112 . . . . 0.0 110.344 173.606 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.7 mmm-85 -51.76 -56.59 12.96 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 123.118 0.567 . . . . 0.0 112.474 174.14 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . 0.286 14.6 m -65.99 -35.27 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 124.958 1.303 . . . . 0.0 113.708 -178.297 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.4 -48.92 79.82 Favored 'General case' 0 CA--C 1.572 1.813 0 CA-C-N 119.036 0.835 . . . . 0.0 110.703 173.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -68.4 -42.19 79.4 Favored 'General case' 0 CA--C 1.582 2.198 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 174.035 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -69.21 -25.46 64.33 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 117.487 2.402 . . . . 0.0 117.487 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.5 mt -69.81 -66.56 0.57 Allowed 'General case' 0 CA--C 1.586 2.345 0 CA-C-N 120.577 1.535 . . . . 0.0 113.011 176.758 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 158.91 -43.79 0.47 Allowed Glycine 0 CA--C 1.557 2.68 0 C-N-CA 125.179 1.371 . . . . 0.0 112.177 -177.139 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -94.99 106.73 18.74 Favored 'General case' 0 CA--C 1.565 1.527 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 177.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -77.61 101.93 6.78 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -177.212 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.4 mp -77.53 155.26 31.73 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.242 0.617 . . . . 0.0 111.9 177.011 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.6 t -94.92 162.63 13.67 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 125.158 2.409 . . . . 0.0 111.737 -177.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -39.95 -50.97 2.52 Favored 'General case' 0 CA--C 1.572 1.803 0 CA-C-N 110.893 -2.867 . . . . 0.0 116.878 178.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -41.79 98.26 Favored 'General case' 0 CA--C 1.571 1.758 0 C-N-CA 124.998 1.319 . . . . 0.0 113.251 177.258 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -60.12 -49.96 75.59 Favored 'General case' 0 CA--C 1.577 1.995 0 C-N-CA 123.892 0.877 . . . . 0.0 111.618 175.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -49.6 76.83 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 177.579 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -67.05 -32.16 73.16 Favored 'General case' 0 CA--C 1.58 2.134 0 CA-C-N 119.506 1.048 . . . . 0.0 111.584 178.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -61.1 -47.39 86.49 Favored 'General case' 0 CA--C 1.578 2.021 0 CA-C-N 120.151 1.341 . . . . 0.0 109.929 173.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.9 ptp -63.94 -31.37 72.52 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 120.077 1.308 . . . . 0.0 111.951 175.073 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.8 mm -60.05 -54.12 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 CA-C-N 121.686 2.039 . . . . 0.0 109.33 172.469 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.65 -34.64 69.56 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.46 -54.58 30.34 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-O 121.811 0.815 . . . . 0.0 109.945 171.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.76 -39.45 74.04 Favored 'General case' 0 CA--C 1.572 1.801 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 178.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -90.33 96.19 10.54 Favored 'General case' 0 CA--C 1.59 2.49 0 CA-C-O 116.575 -1.678 . . . . 0.0 106.779 178.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -32.87 68.01 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 125.954 3.979 . . . . 0.0 118.286 -175.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -78.49 -36.11 45.58 Favored 'General case' 0 CA--C 1.589 2.46 0 CA-C-N 118.893 0.77 . . . . 0.0 110.668 173.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 88.05 51.89 3.07 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 118.647 2.219 . . . . 0.0 118.647 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -91.6 -42.63 10.1 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 118.955 -0.545 . . . . 0.0 111.397 176.784 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 151.69 -0.97 0.32 Allowed Glycine 0 CA--C 1.552 2.375 0 N-CA-C 119.777 2.671 . . . . 0.0 119.777 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -156.21 153.15 28.75 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 120.631 2.215 . . . . 0.0 111.347 -179.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 8.6 t -99.8 120.44 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 -178.231 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 7.1 t -99.91 173.41 6.68 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-O 123.768 1.747 . . . . 0.0 112.187 -178.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.28 -49.35 17.52 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 113.603 -1.635 . . . . 0.0 115.011 178.455 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -61.45 -41.24 96.9 Favored 'General case' 0 CA--C 1.569 1.695 0 CA-C-O 116.295 -1.812 . . . . 0.0 113.447 177.163 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -72.71 -23.85 60.91 Favored 'General case' 0 N--CA 1.506 2.369 0 CA-C-N 123.572 2.896 . . . . 0.0 113.422 175.206 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.5 OUTLIER -62.72 -59.93 4.2 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 124.822 1.249 . . . . 0.0 110.683 174.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.3 pp -80.16 -50.46 10.25 Favored 'General case' 0 CA--C 1.575 1.92 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 178.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -80.12 -33.8 38.37 Favored 'General case' 0 CA--C 1.581 2.169 0 N-CA-C 118.661 2.837 . . . . 0.0 118.661 -179.422 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.517 2.879 0 N-CA-C 119.765 3.246 . . . . 0.0 119.765 179.97 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 CA--C 1.581 2.171 0 CA-C-O 118.446 -0.788 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.34 -41.1 99.43 Favored Glycine 0 N--CA 1.5 2.901 0 CA-C-N 120.509 1.504 . . . . 0.0 114.243 174.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -64.24 -45.43 88.19 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 124.724 1.21 . . . . 0.0 111.206 175.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -57.11 -44.76 83.55 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-N 119.797 1.18 . . . . 0.0 110.215 174.641 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.25 -56.95 14.73 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 119.276 0.944 . . . . 0.0 112.361 177.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.515 2.775 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 177.823 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.513 2.699 0 CA-C-O 117.891 -1.052 . . . . 0.0 109.516 . . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 73.98 -56.78 0.64 Allowed 'General case' 0 N--CA 1.532 3.67 0 CA-C-N 124.357 3.253 . . . . 0.0 108.702 -172.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -49.04 -37.1 19.78 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 127.072 2.149 . . . . 0.0 114.23 176.161 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.5 mt -64.02 -54.13 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 CA-C-N 121.698 2.045 . . . . 0.0 109.125 175.614 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.3 mp -68.45 -41.74 79.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.71 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -66.89 -45.82 76.83 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-O 116.58 -1.676 . . . . 0.0 112.15 175.647 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.48 -44.31 78.87 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 122.307 2.321 . . . . 0.0 113.72 178.687 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.444 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 8.5 t80 -68.62 -43.15 76.96 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 120.479 1.49 . . . . 0.0 112.39 177.285 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -65.28 -36.27 83.57 Favored 'General case' 0 CA--C 1.571 1.771 0 CA-C-O 116.848 -1.548 . . . . 0.0 112.048 -179.405 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.72 -33.02 71.91 Favored 'General case' 0 CA--C 1.58 2.109 0 CA-C-N 122.464 2.393 . . . . 0.0 111.772 172.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -46.08 89.23 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 125.33 1.452 . . . . 0.0 114.185 174.834 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -75.08 66.65 1.66 Allowed 'General case' 0 CA--C 1.602 2.947 0 CA-C-N 119.978 1.263 . . . . 0.0 113.58 178.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -39.96 -24.46 0.02 OUTLIER 'General case' 0 N--CA 1.533 3.678 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 175.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -92.75 0.19 57.38 Favored 'General case' 0 CA--C 1.59 2.489 0 O-C-N 120.367 -1.458 . . . . 0.0 113.076 177.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 72.86 -7.55 1.44 Allowed 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 117.518 2.414 . . . . 0.0 117.518 177.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.1 p -71.05 -24.37 62.33 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 119.369 -2.082 . . . . 0.0 115.33 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 78.08 56.23 3.82 Favored Glycine 0 CA--C 1.54 1.656 0 N-CA-C 116.803 1.481 . . . . 0.0 116.803 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -153.0 109.94 3.47 Favored 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -179.274 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.3 mp -99.99 129.19 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.58 0 CA-C-O 123.236 1.493 . . . . 0.0 109.596 179.505 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.67 170.04 8.17 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 111.79 -2.459 . . . . 0.0 108.47 175.533 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -54.92 -38.1 67.23 Favored 'General case' 0 N--CA 1.508 2.451 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 179.432 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -65.18 -40.13 93.82 Favored 'General case' 0 CA--C 1.574 1.902 0 O-C-N 121.371 -0.831 . . . . 0.0 111.886 178.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -34.76 78.74 Favored 'General case' 0 CA--C 1.583 2.219 0 CA-C-O 117.754 -1.117 . . . . 0.0 109.107 174.072 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.9 mt -54.03 -47.48 71.51 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 121.06 1.754 . . . . 0.0 110.38 172.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -56.65 -45.62 81.51 Favored 'General case' 0 CA--C 1.576 1.958 0 C-N-CA 124.575 1.15 . . . . 0.0 111.801 174.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -54.4 -52.27 62.24 Favored 'General case' 0 N--CA 1.508 2.47 0 CA-C-N 119.271 0.941 . . . . 0.0 112.126 175.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . 0.266 6.1 t -67.9 -36.07 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.363 0 C-N-CA 123.193 0.597 . . . . 0.0 110.837 178.386 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.91 -45.15 82.84 Favored 'General case' 0 CA--C 1.573 1.853 0 CA-C-N 120.231 1.378 . . . . 0.0 113.216 175.451 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -71.68 -47.46 54.04 Favored 'General case' 0 CA--C 1.58 2.103 0 CA-C-N 120.401 1.455 . . . . 0.0 112.508 174.274 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -51.35 -44.92 62.19 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 118.053 2.612 . . . . 0.0 118.053 179.53 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -41.13 93.04 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 117.658 2.466 . . . . 0.0 117.658 179.759 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 175.79 -63.82 0.1 OUTLIER Glycine 0 CA--C 1.542 1.767 0 CA-C-N 112.173 -2.285 . . . . 0.0 111.174 178.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -165.06 135.89 3.95 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 120.714 2.257 . . . . 0.0 108.885 178.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -60.3 145.39 47.77 Favored 'General case' 0 CA--C 1.56 1.346 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -179.323 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.7 tt -78.71 -93.29 0.03 OUTLIER 'General case' 0 CA--C 1.562 1.405 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.381 179.593 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.2 m -157.86 143.71 17.26 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 120.873 1.67 . . . . 0.0 106.94 176.236 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -42.73 -50.3 5.57 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 117.339 2.348 . . . . 0.0 117.339 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.2 -41.71 99.2 Favored 'General case' 0 CA--C 1.574 1.881 0 C-N-CA 125.281 1.433 . . . . 0.0 113.708 177.878 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.89 -51.62 67.42 Favored 'General case' 0 N--CA 1.499 2.003 0 C-N-CA 124.799 1.24 . . . . 0.0 111.156 175.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 12.2 mt -57.03 -38.53 73.3 Favored 'General case' 0 CA--C 1.58 2.11 0 O-C-N 120.908 -1.12 . . . . 0.0 111.849 174.289 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -70.84 -38.6 73.2 Favored 'General case' 0 CA--C 1.568 1.659 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.736 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -58.68 -38.26 77.83 Favored 'General case' 0 CA--C 1.584 2.258 0 CA-C-N 120.077 1.308 . . . . 0.0 109.836 172.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -45.3 93.29 Favored 'General case' 0 CA--C 1.578 2.032 0 C-N-CA 124.248 1.019 . . . . 0.0 110.624 173.265 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 11.8 mm -58.64 -56.39 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 C-N-CA 124.871 1.268 . . . . 0.0 111.27 174.23 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -38.64 70.06 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -47.43 54.37 Favored 'General case' 0 CA--C 1.59 2.498 0 CA-C-N 120.082 1.31 . . . . 0.0 110.885 172.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.23 -37.16 79.48 Favored 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 117.401 2.371 . . . . 0.0 117.401 178.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.311 27.0 t70 -70.33 44.0 0.07 Allowed 'General case' 0 CA--C 1.604 3.023 0 CA-C-N 120.66 1.573 . . . . 0.0 113.308 178.315 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -39.91 -50.01 2.46 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 120.284 3.439 . . . . 0.0 120.284 -171.758 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -137.5 55.73 1.79 Allowed 'General case' 0 CA--C 1.575 1.904 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 175.426 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -128.46 -141.28 5.17 Favored Glycine 0 CA--C 1.567 3.32 0 CA-C-N 121.681 2.037 . . . . 0.0 114.731 -178.612 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -129.47 16.95 5.95 Favored 'General case' 0 CA--C 1.593 2.6 0 C-N-CA 125.69 1.596 . . . . 0.0 114.911 -177.247 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 114.31 19.31 6.31 Favored Glycine 0 CA--C 1.568 3.355 0 O-C-N 119.526 -1.984 . . . . 0.0 113.64 -175.528 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -157.24 163.39 38.83 Favored 'General case' 0 CA--C 1.58 2.125 0 C-N-CA 125.979 1.712 . . . . 0.0 107.883 -177.773 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.89 116.2 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.282 0 O-C-N 119.095 -2.253 . . . . 0.0 107.349 -176.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 4.2 t -100.75 171.81 7.46 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 122.849 1.309 . . . . 0.0 114.246 -178.466 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -46.21 23.71 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.304 1.442 . . . . 0.0 114.504 176.076 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -42.87 99.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.214 -1.554 . . . . 0.0 114.783 177.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.256 2.0 tp10 -72.19 -34.54 68.49 Favored 'General case' 0 CA--C 1.591 2.531 0 CA-C-N 120.418 1.463 . . . . 0.0 110.42 174.441 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.444 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 4.0 t80 -57.4 -50.6 72.46 Favored 'General case' 0 C--N 1.361 1.07 0 CA-C-N 120.626 1.557 . . . . 0.0 113.397 176.665 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.08 -55.59 4.83 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-O 119.146 -0.454 . . . . 0.0 112.126 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? -80.27 -60.0 2.49 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 118.019 2.6 . . . . 0.0 118.019 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.261 7.2 tp . . . . . 0 N--CA 1.511 2.607 1 C-N-CA 131.874 4.07 . . . . 0.0 112.773 -177.462 . . . . . . . . 2 1 . 1 . 023 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.514 2.726 0 N-CA-C 117.184 2.29 . . . . 0.0 117.184 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -50.69 -37.02 33.38 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 116.999 1.56 . . . . 0.0 116.999 177.42 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.04 -42.27 97.13 Favored 'General case' 0 CA--C 1.579 2.088 0 CA-C-O 118.583 -0.723 . . . . 0.0 111.668 175.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -62.39 -45.84 91.31 Favored 'General case' 0 CA--C 1.589 2.48 0 CA-C-N 120.926 1.694 . . . . 0.0 107.352 172.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.24 -55.63 14.51 Favored 'General case' 0 N--CA 1.509 2.511 0 CA-C-N 120.378 1.445 . . . . 0.0 113.999 174.663 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.0 m . . . . . 0 N--CA 1.503 2.2 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 178.328 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.287 0.0 OUTLIER . . . . . 0 N--CA 1.513 2.72 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 . . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 65.38 -32.14 0.15 Allowed 'General case' 0 N--CA 1.527 3.403 0 O-C-N 119.276 -2.14 . . . . 0.0 112.765 -170.389 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -69.14 -30.45 68.71 Favored 'General case' 0 CA--C 1.568 1.638 0 CA-C-N 121.616 2.007 . . . . 0.0 112.476 175.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -37.2 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.408 0 CA-C-N 119.665 1.121 . . . . 0.0 111.434 173.559 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . 0.406 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 1.0 OUTLIER -62.87 -46.42 87.96 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 177.031 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -67.1 -40.65 86.95 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 119.336 0.971 . . . . 0.0 112.596 176.344 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.2 -54.87 30.71 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 117.358 -1.306 . . . . 0.0 113.023 177.389 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.507 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 3.2 t80 -62.84 -45.63 91.7 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-N 121.032 1.742 . . . . 0.0 112.141 178.257 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -64.49 -30.02 71.06 Favored 'General case' 0 CA--C 1.587 2.371 0 CA-C-N 120.481 1.491 . . . . 0.0 111.726 179.754 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.7 mt -79.76 -19.98 47.41 Favored 'General case' 0 CA--C 1.58 2.116 0 CA-C-N 122.382 2.355 . . . . 0.0 111.931 172.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -62.17 -44.46 96.56 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 122.625 2.466 . . . . 0.0 110.792 171.234 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.87 76.76 0.89 Allowed 'General case' 0 CA--C 1.581 2.173 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -178.295 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -50.86 -10.09 0.06 Allowed 'General case' 0 CA--C 1.617 3.528 0 O-C-N 119.773 -1.829 . . . . 0.0 115.472 172.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -104.66 -18.76 14.18 Favored 'General case' 0 CA--C 1.584 2.288 0 C-N-CA 126.57 1.948 . . . . 0.0 111.583 177.269 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 81.18 -5.25 1.65 Allowed 'General case' 0 CA--C 1.589 2.445 0 CA-C-N 121.796 2.089 . . . . 0.0 114.835 -179.328 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.1 t -64.89 -21.83 66.88 Favored 'General case' 0 CA--C 1.572 1.805 0 O-C-N 119.732 -1.855 . . . . 0.0 115.032 179.16 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.56 57.35 6.67 Favored Glycine 0 C--N 1.353 1.482 0 N-CA-C 118.784 2.274 . . . . 0.0 118.784 177.788 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.95 110.62 4.51 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 178.17 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . 0.25 0.5 OUTLIER -99.94 118.58 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 CA-C-O 123.908 1.813 . . . . 0.0 106.937 178.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 76.2 p -100.01 162.2 13.13 Favored 'General case' 0 CA--C 1.574 1.875 0 CA-C-N 111.212 -2.722 . . . . 0.0 106.438 174.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -52.25 -35.87 50.96 Favored 'General case' 0 CA--C 1.583 2.226 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -179.477 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -63.06 -39.06 93.6 Favored 'General case' 0 CA--C 1.571 1.754 0 CA-C-O 117.329 -1.319 . . . . 0.0 113.874 178.061 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.26 0.4 OUTLIER -72.08 -29.65 64.33 Favored 'General case' 0 N--CA 1.513 2.695 0 CA-C-N 121.623 2.011 . . . . 0.0 110.103 176.161 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.47 -42.34 82.4 Favored 'General case' 0 N--CA 1.514 2.763 0 CA-C-N 121.56 1.982 . . . . 0.0 110.175 169.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -60.14 -45.94 91.32 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 124.135 0.974 . . . . 0.0 111.505 174.468 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -50.74 -60.11 3.39 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 123.717 0.807 . . . . 0.0 111.423 174.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.3 m -62.88 -41.27 91.99 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.422 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -179.13 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.52 -50.51 71.62 Favored 'General case' 0 CA--C 1.567 1.601 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 177.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -37.05 54.2 Favored 'General case' 0 CA--C 1.577 2.015 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.929 174.803 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -66.98 -25.73 66.46 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 176.421 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.8 mt -60.78 -61.69 2.4 Favored 'General case' 0 CA--C 1.574 1.872 0 CA-C-N 119.746 1.157 . . . . 0.0 113.712 176.281 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 154.33 35.96 0.03 OUTLIER Glycine 0 CA--C 1.552 2.385 0 C-N-CA 124.65 1.119 . . . . 0.0 114.975 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 68.84 122.09 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 126.205 1.802 . . . . 0.0 113.145 -178.731 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -166.75 -50.13 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.549 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -129.19 169.23 15.05 Favored 'General case' 0 N--CA 1.498 1.974 0 CA-C-N 120.295 1.407 . . . . 0.0 113.303 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 13.4 t -110.17 162.38 14.64 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -176.004 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -43.3 -51.25 6.37 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 117.606 2.447 . . . . 0.0 117.606 179.375 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.6 -46.83 88.16 Favored 'General case' 0 CA--C 1.578 2.048 0 CA-C-N 113.785 -1.552 . . . . 0.0 113.041 178.129 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . 0.263 8.1 tp10 -57.25 -48.72 78.13 Favored 'General case' 0 CA--C 1.591 2.537 0 C-N-CA 124.539 1.136 . . . . 0.0 111.562 175.744 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 30.4 mt -56.41 -40.77 75.22 Favored 'General case' 0 CA--C 1.577 2.0 0 O-C-N 119.769 -1.832 . . . . 0.0 111.672 172.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.519 HE22 ' CG2' ' A' ' 146' ' ' ILE . 0.5 OUTLIER -62.91 -39.35 94.29 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 117.008 -1.473 . . . . 0.0 111.009 177.78 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -63.38 -32.7 74.2 Favored 'General case' 0 CA--C 1.593 2.598 0 CA-C-N 121.834 2.106 . . . . 0.0 110.722 173.23 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -64.44 -34.46 78.25 Favored 'General case' 0 CA--C 1.589 2.473 0 O-C-N 120.627 -1.295 . . . . 0.0 111.609 172.23 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.519 ' CG2' HE22 ' A' ' 143' ' ' GLN . 2.2 mm -60.33 -58.03 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 119.861 -1.775 . . . . 0.0 108.775 173.419 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.61 -35.41 63.36 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.252 179.652 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -38.15 83.37 Favored 'General case' 0 N--CA 1.513 2.697 0 CA-C-N 121.637 2.017 . . . . 0.0 112.039 172.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.0 -28.02 39.52 Favored 'General case' 0 CA--C 1.586 2.334 0 N-CA-C 120.411 3.486 . . . . 0.0 120.411 177.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.62 41.71 0.02 OUTLIER 'General case' 0 CA--C 1.596 2.743 0 N-CA-C 120.261 3.43 . . . . 0.0 120.261 -176.013 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -22.98 63.72 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 121.608 3.929 . . . . 0.0 121.608 -174.624 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.94 -29.04 68.01 Favored 'General case' 0 CA--C 1.596 2.727 0 CA-C-N 120.347 1.43 . . . . 0.0 110.922 172.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 109.3 18.25 9.33 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 122.466 3.746 . . . . 0.0 122.466 176.28 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -123.94 9.52 8.78 Favored 'General case' 0 CA--C 1.586 2.355 0 CA-C-N 119.827 1.813 . . . . 0.0 112.759 178.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 84.19 22.29 54.96 Favored Glycine 0 N--CA 1.505 3.258 0 CA-C-N 123.651 2.932 . . . . 0.0 118.31 -178.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -148.06 150.39 33.82 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 119.314 1.557 . . . . 0.0 108.746 178.056 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.3 t -99.89 117.98 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.116 -0.99 . . . . 0.0 110.561 -175.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.2 m -99.86 169.63 9.09 Favored 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 125.146 1.378 . . . . 0.0 111.702 -179.134 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -49.98 65.08 Favored 'General case' 0 N--CA 1.504 2.247 0 CA-C-O 116.177 -1.868 . . . . 0.0 113.554 178.655 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . 0.468 ' HA ' ' CD2' ' A' ' 163' ' ' LEU . 2.2 mp0 -59.53 -41.94 91.17 Favored 'General case' 0 CA--C 1.571 1.759 0 CA-C-N 122.797 2.544 . . . . 0.0 113.757 176.468 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.44 -19.8 61.51 Favored 'General case' 0 CA--C 1.587 2.401 0 CA-C-N 120.696 1.589 . . . . 0.0 112.948 174.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.507 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -69.14 -59.98 2.66 Favored 'General case' 0 CA--C 1.566 1.577 0 O-C-N 119.38 -2.075 . . . . 0.0 109.813 174.3 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -80.14 -51.58 8.81 Favored 'General case' 0 CA--C 1.58 2.118 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 178.743 . . . . . . . . 3 3 . 1 . 023 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 15.0 mtm-85 -80.18 -19.81 46.22 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 120.824 3.639 . . . . 0.0 120.824 -176.224 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.969 0 CA-C-N 124.777 3.444 . . . . 0.0 116.817 179.598 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 CA--C 1.627 3.918 1 N-CA-C 96.404 -5.406 . . . . 0.0 96.404 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -39.87 -40.53 1.66 Allowed Glycine 1 C--N 1.407 4.49 0 CA-C-N 124.969 3.531 . . . . 0.0 118.161 -175.587 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.72 -49.8 60.75 Favored 'General case' 0 CA--C 1.582 2.209 0 CA-C-N 111.664 -2.268 . . . . 0.0 109.462 174.644 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -60.81 -38.93 87.09 Favored 'General case' 0 N--CA 1.518 2.97 0 CA-C-N 123.173 2.715 . . . . 0.0 110.622 173.16 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.35 -59.08 6.02 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 119.584 -1.948 . . . . 0.0 111.763 176.37 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.501 2.099 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 177.134 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.524 3.27 0 CA-C-O 116.286 -1.816 . . . . 0.0 108.341 . . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 68.55 -53.0 0.55 Allowed 'General case' 1 N--CA 1.546 4.363 1 CA-C-N 126.13 4.059 . . . . 0.0 110.38 -173.137 . . . . . . . . 3 2 . 1 . 024 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . 0.323 2.6 tt0 -39.97 -50.32 2.52 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 131.664 3.985 . . . . 0.0 111.137 171.605 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.0 tt -63.47 -45.09 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 CA-C-N 119.426 1.012 . . . . 0.0 112.837 177.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.28 -45.95 71.7 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.029 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -66.14 -48.3 71.25 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-O 117.325 -1.322 . . . . 0.0 112.255 176.556 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.88 87.48 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 121.245 1.839 . . . . 0.0 114.433 179.083 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.453 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 6.8 t80 -68.52 -45.74 71.45 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-O 116.93 -1.51 . . . . 0.0 111.428 175.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -63.48 -33.8 76.37 Favored 'General case' 0 CA--C 1.58 2.124 0 CA-C-N 120.384 1.447 . . . . 0.0 112.264 -178.447 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 pp -76.33 -22.66 54.65 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 121.247 1.839 . . . . 0.0 112.582 172.33 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -62.34 -52.77 62.32 Favored 'General case' 0 CA--C 1.567 1.62 0 CA-C-N 121.232 1.833 . . . . 0.0 109.967 172.369 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -68.51 71.42 0.19 Allowed 'General case' 0 CA--C 1.591 2.552 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -176.301 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . 0.466 ' CG ' HH21 ' A' ' 128' ' ' ARG . 66.0 m-20 -40.03 -16.12 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.82 0 N-CA-C 119.095 2.998 . . . . 0.0 119.095 174.646 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -101.32 -2.9 29.91 Favored 'General case' 0 CA--C 1.589 2.475 0 CA-C-N 120.45 1.477 . . . . 0.0 112.292 177.62 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 73.55 -6.16 1.83 Allowed 'General case' 0 CA--C 1.586 2.359 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 178.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.6 p -72.16 -28.51 63.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 119.24 -2.163 . . . . 0.0 114.268 179.367 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.81 55.18 2.88 Favored Glycine 0 CA--C 1.541 1.706 0 N-CA-C 117.08 1.592 . . . . 0.0 117.08 179.74 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -146.15 109.92 4.87 Favored 'General case' 0 CA--C 1.561 1.404 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.327 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.3 mp -102.07 119.09 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 CA-C-O 124.032 1.873 . . . . 0.0 108.218 178.042 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.2 p -99.97 165.93 11.3 Favored 'General case' 0 CA--C 1.596 2.715 0 CA-C-N 111.152 -2.749 . . . . 0.0 104.951 172.243 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -49.05 -40.7 32.39 Favored 'General case' 0 N--CA 1.511 2.603 0 N-CA-C 117.268 2.322 . . . . 0.0 117.268 -179.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -59.29 -42.82 92.17 Favored 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 178.466 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -66.13 -36.8 84.1 Favored 'General case' 0 N--CA 1.508 2.439 0 CA-C-O 117.069 -1.443 . . . . 0.0 109.16 174.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 49.7 mt -55.72 -39.43 71.08 Favored 'General case' 0 CA--C 1.592 2.591 0 CA-C-N 121.997 2.181 . . . . 0.0 110.4 173.55 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -57.64 -48.72 78.67 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 125.563 1.545 . . . . 0.0 110.621 172.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.466 HH21 ' CG ' ' A' ' 115' ' ' ASP . 2.6 ppt_? -57.16 -44.0 83.07 Favored 'General case' 0 N--CA 1.517 2.881 0 CA-C-N 120.175 1.352 . . . . 0.0 112.855 175.832 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -43.54 86.26 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 178.377 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -48.48 -47.16 38.78 Favored 'General case' 0 CA--C 1.562 1.415 0 C-N-CA 125.05 1.34 . . . . 0.0 113.5 176.222 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -75.15 -34.29 61.61 Favored 'General case' 0 CA--C 1.589 2.47 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 173.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -75.5 -29.87 59.67 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 119.1 3.0 . . . . 0.0 119.1 179.41 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 37.7 mt -64.69 -75.31 0.09 Allowed 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -178.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -166.91 -41.54 0.02 OUTLIER Glycine 0 N--CA 1.492 2.417 0 N-CA-C 118.738 2.255 . . . . 0.0 118.738 -179.114 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -128.16 119.85 26.11 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 119.552 1.676 . . . . 0.0 108.415 -179.635 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -90.03 109.07 20.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.21 -0.931 . . . . 0.0 111.369 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.16 -116.78 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 122.869 0.468 . . . . 0.0 111.088 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.8 t -150.06 163.2 38.79 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 125.683 2.659 . . . . 0.0 110.124 179.655 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -44.67 -49.16 10.52 Favored 'General case' 0 CA--C 1.569 1.704 0 CA-C-N 110.377 -3.101 . . . . 0.0 117.249 177.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.88 -43.41 98.86 Favored 'General case' 0 CA--C 1.574 1.878 0 C-N-CA 125.761 1.625 . . . . 0.0 113.144 178.172 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -56.05 -54.8 40.64 Favored 'General case' 0 N--CA 1.505 2.291 0 C-N-CA 124.192 0.997 . . . . 0.0 110.779 174.119 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.3 mt -59.55 -35.09 73.54 Favored 'General case' 0 CA--C 1.574 1.873 0 O-C-N 120.886 -1.134 . . . . 0.0 113.282 175.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.5 HE22 ' CG2' ' A' ' 146' ' ' ILE . 0.6 OUTLIER -68.36 -38.75 81.74 Favored 'General case' 0 CA--C 1.561 1.396 0 CA-C-O 117.002 -1.475 . . . . 0.0 111.187 178.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -63.77 -35.77 81.7 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-N 121.246 1.839 . . . . 0.0 109.456 172.623 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 78.2 mmm -59.98 -39.62 86.31 Favored 'General case' 0 CA--C 1.588 2.417 0 O-C-N 120.091 -1.631 . . . . 0.0 110.965 173.144 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.5 ' CG2' HE22 ' A' ' 143' ' ' GLN . 3.2 mm -60.43 -55.93 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 C-N-CA 124.453 1.101 . . . . 0.0 109.18 172.175 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.3 -41.21 27.45 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -179.545 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -73.41 -45.59 53.72 Favored 'General case' 0 CA--C 1.587 2.384 0 N-CA-C 111.442 0.164 . . . . 0.0 111.442 174.536 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.28 -37.65 88.24 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 117.78 2.511 . . . . 0.0 117.78 177.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.31 32.7 t70 -77.52 44.44 0.44 Allowed 'General case' 0 CA--C 1.583 2.22 0 C-N-CA 126.075 1.75 . . . . 0.0 115.133 -178.737 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.09 -50.02 3.43 Favored 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 119.241 3.052 . . . . 0.0 119.241 -175.362 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -127.11 46.25 2.55 Favored 'General case' 0 CA--C 1.588 2.409 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 175.799 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -118.95 -32.84 1.22 Allowed Glycine 0 N--CA 1.497 2.706 0 N-CA-C 123.015 3.966 . . . . 0.0 123.015 -176.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 16.1 t70 79.71 -13.73 0.92 Allowed 'General case' 0 CA--C 1.598 2.816 0 CA-C-N 120.02 1.91 . . . . 0.0 113.594 -176.629 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 172.36 9.1 0.02 OUTLIER Glycine 0 CA--C 1.559 2.84 0 N-CA-C 118.689 2.236 . . . . 0.0 118.689 179.214 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -160.05 148.9 17.34 Favored 'General case' 0 CA--C 1.57 1.714 0 CA-C-N 120.333 2.067 . . . . 0.0 111.838 -179.438 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.4 t -99.84 112.05 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 N-CA-C 104.187 -2.523 . . . . 0.0 104.187 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 83.8 p -99.91 173.84 6.48 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-O 122.159 0.98 . . . . 0.0 113.386 -178.103 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -47.28 -49.19 24.23 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 179.481 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -61.97 -42.58 99.29 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 116.749 -1.596 . . . . 0.0 114.788 177.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.321 6.4 tp10 -72.81 -25.35 61.11 Favored 'General case' 0 CA--C 1.589 2.477 0 CA-C-N 122.147 2.249 . . . . 0.0 112.522 175.842 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.453 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.6 OUTLIER -63.85 -59.22 4.81 Favored 'General case' 0 CA--C 1.554 1.105 0 O-C-N 119.676 -1.89 . . . . 0.0 110.915 175.263 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . 0.262 0.3 OUTLIER -80.18 -47.6 14.44 Favored 'General case' 0 CA--C 1.575 1.936 0 CA-C-O 117.406 -1.283 . . . . 0.0 113.366 -179.868 . . . . . . . . 3 3 . 1 . 024 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.04 -19.91 46.51 Favored 'General case' 0 N--CA 1.505 2.314 0 CA-C-N 122.439 2.381 . . . . 0.0 117.276 177.751 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.253 6.7 tp . . . . . 0 N--CA 1.512 2.633 0 CA-C-N 122.582 2.446 . . . . 0.0 117.526 -178.705 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 . . . . . 0 N--CA 1.51 2.527 0 N-CA-C 119.987 3.328 . . . . 0.0 119.987 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 87' ' ' GLY . . . . . 0.407 ' O ' ' OG1' ' A' ' 91' ' ' THR . . . -44.98 -47.1 9.59 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 116.605 1.402 . . . . 0.0 116.605 179.234 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -62.81 -55.09 29.51 Favored 'General case' 0 CA--C 1.569 1.705 0 CA-C-O 117.431 -1.271 . . . . 0.0 112.193 176.203 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -52.44 -46.73 66.56 Favored 'General case' 0 N--CA 1.512 2.641 0 CA-C-N 120.363 1.438 . . . . 0.0 111.309 175.463 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.24 -56.01 27.57 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 124.627 1.171 . . . . 0.0 112.984 175.171 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 91' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 87' ' ' GLY . 9.2 m . . . . . 0 N--CA 1.501 2.094 0 C-N-CA 124.714 1.206 . . . . 0.0 112.813 176.092 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.04 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 . . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 69.92 -45.08 0.57 Allowed 'General case' 0 N--CA 1.526 3.36 0 CA-C-N 121.527 1.967 . . . . 0.0 111.883 -174.407 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -62.35 -22.48 66.13 Favored 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 126.151 1.781 . . . . 0.0 113.814 177.148 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.7 tt -53.87 -39.75 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.668 0 CA-C-N 122.884 2.584 . . . . 0.0 109.294 172.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.31 -48.31 78.6 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 179.199 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.06 -47.16 69.1 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 117.596 -1.192 . . . . 0.0 111.091 175.587 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.78 -43.95 97.4 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 120.819 1.645 . . . . 0.0 114.636 179.051 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 110' ' ' PHE . . . . . 0.474 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.5 t80 -69.69 -46.29 66.36 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 121.174 1.806 . . . . 0.0 111.482 177.259 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 111' ' ' LYS . . . . . 0.404 ' HZ2' ' CD ' ' A' ' 117' ' ' GLU 0.275 10.6 tptp -70.08 -27.66 64.79 Favored 'General case' 0 CA--C 1.576 1.96 0 CA-C-N 120.684 1.584 . . . . 0.0 112.939 -179.823 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 pp -77.73 -30.48 51.7 Favored 'General case' 0 CA--C 1.579 2.069 0 CA-C-N 122.533 2.424 . . . . 0.0 111.363 172.106 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.36 -49.11 77.21 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 175.534 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -94.69 68.23 3.35 Favored 'General case' 0 CA--C 1.596 2.712 0 O-C-N 123.679 0.612 . . . . 0.0 111.3 -177.748 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.75 -14.93 56.89 Favored 'General case' 0 CA--C 1.591 2.553 0 O-C-N 118.286 -2.759 . . . . 0.0 115.178 178.029 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -78.46 -16.08 57.95 Favored 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 121.955 2.161 . . . . 0.0 113.505 177.299 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 117' ' ' GLU . . . . . 0.404 ' CD ' ' HZ2' ' A' ' 111' ' ' LYS . 14.5 tp10 76.5 50.03 0.06 Allowed 'General case' 0 N--CA 1.508 2.426 0 CA-C-O 126.893 3.235 . . . . 0.0 114.816 179.124 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.8 p -107.65 -42.4 4.76 Favored 'General case' 0 CA--C 1.574 1.898 0 CA-C-N 109.422 -3.536 . . . . 0.0 109.692 177.202 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 69.7 52.37 20.7 Favored Glycine 0 N--CA 1.481 1.684 0 C-N-CA 126.22 1.867 . . . . 0.0 117.402 -179.688 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.03 113.07 6.12 Favored 'General case' 0 CA--C 1.562 1.437 0 CA-C-N 118.398 1.099 . . . . 0.0 109.429 179.209 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.2 mp -99.9 127.73 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.363 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 176.436 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.96 165.38 12.39 Favored 'General case' 0 CA--C 1.58 2.097 0 CA-C-N 111.765 -2.47 . . . . 0.0 107.052 177.742 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -41.99 -40.02 2.08 Favored 'General case' 0 N--CA 1.515 2.796 0 N-CA-C 118.167 2.654 . . . . 0.0 118.167 -178.65 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -61.74 -39.21 90.79 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 178.665 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -33.44 73.02 Favored 'General case' 0 CA--C 1.585 2.31 0 CA-C-O 117.465 -1.255 . . . . 0.0 109.109 175.767 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.4 mp -56.95 -39.23 74.18 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 122.268 2.304 . . . . 0.0 110.802 171.347 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -56.94 -46.33 82.15 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 123.868 0.867 . . . . 0.0 110.419 171.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 128' ' ' ARG . . . . . 0.412 HH21 ' CD ' ' A' ' 132' ' ' GLU . 6.5 mmm180 -56.59 -53.92 51.98 Favored 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 119.197 0.908 . . . . 0.0 112.516 174.089 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . 0.258 0.2 OUTLIER -58.93 -42.82 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.629 0 CA-C-O 117.078 -1.439 . . . . 0.0 111.687 178.421 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.24 -40.65 67.91 Favored 'General case' 0 CA--C 1.578 2.046 0 CA-C-N 120.496 1.498 . . . . 0.0 112.653 175.04 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -71.44 -46.47 59.96 Favored 'General case' 0 CA--C 1.576 1.949 0 CA-C-N 119.278 0.944 . . . . 0.0 111.62 173.434 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 132' ' ' GLU . . . . . 0.412 ' CD ' HH21 ' A' ' 128' ' ' ARG . 1.2 mp0 -52.93 -45.42 67.65 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 177.475 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.359 7.0 mp -70.4 -19.04 63.04 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 117.804 2.52 . . . . 0.0 117.804 175.26 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.57 -44.5 2.9 Favored Glycine 0 N--CA 1.486 2.03 0 CA-C-N 113.938 -1.483 . . . . 0.0 115.26 -179.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.02 93.72 8.66 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -85.0 -17.79 36.47 Favored 'General case' 0 CA--C 1.571 1.775 0 N-CA-C 118.036 2.606 . . . . 0.0 118.036 -178.178 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.294 0.0 OUTLIER 46.43 -116.61 0.67 Allowed 'General case' 0 N--CA 1.505 2.275 0 C-N-CA 126.034 1.734 . . . . 0.0 112.002 -177.931 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.8 t -151.19 165.5 33.75 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 122.668 2.486 . . . . 0.0 109.74 178.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -42.6 -49.12 5.51 Favored 'General case' 0 CA--C 1.57 1.743 0 CA-C-N 111.305 -2.68 . . . . 0.0 116.997 176.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.88 -44.23 97.23 Favored 'General case' 0 CA--C 1.573 1.854 0 C-N-CA 126.278 1.831 . . . . 0.0 112.226 177.628 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.87 -52.88 63.4 Favored 'General case' 0 N--CA 1.507 2.382 0 CA-C-N 119.388 0.994 . . . . 0.0 110.98 175.001 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.85 -36.68 74.97 Favored 'General case' 0 CA--C 1.574 1.874 0 O-C-N 121.205 -0.935 . . . . 0.0 113.049 175.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 143' ' ' GLN . . . . . 0.549 HE22 ' CG2' ' A' ' 146' ' ' ILE . 0.7 OUTLIER -69.54 -37.24 76.99 Favored 'General case' 0 CA--C 1.566 1.574 0 CA-C-N 119.455 1.025 . . . . 0.0 111.558 178.154 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -60.24 -40.32 89.82 Favored 'General case' 0 CA--C 1.587 2.395 0 CA-C-N 120.007 1.276 . . . . 0.0 109.726 173.328 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.7 mmm -59.28 -44.22 92.47 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.399 -0.813 . . . . 0.0 111.658 173.225 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 146' ' ' ILE . . . . . 0.549 ' CG2' HE22 ' A' ' 143' ' ' GLN . 2.8 mm -58.41 -59.78 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 C-N-CA 124.733 1.213 . . . . 0.0 110.769 174.922 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.54 -31.93 57.3 Favored 'General case' 0 N--CA 1.505 2.323 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -179.276 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.23 -36.69 61.31 Favored 'General case' 0 CA--C 1.599 2.86 0 CA-C-N 121.004 1.729 . . . . 0.0 111.905 172.368 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -75.01 -28.13 60.39 Favored 'General case' 0 CA--C 1.579 2.073 0 N-CA-C 117.767 2.506 . . . . 0.0 117.767 176.372 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.88 32.87 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.642 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 -178.201 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -27.76 61.33 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 119.863 3.282 . . . . 0.0 119.863 -173.43 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.55 -29.88 66.45 Favored 'General case' 0 CA--C 1.584 2.252 0 CA-C-O 116.021 -1.942 . . . . 0.0 111.875 175.192 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 143.61 -30.37 1.96 Allowed Glycine 0 N--CA 1.498 2.775 1 N-CA-C 126.657 5.423 . . . . 0.0 126.657 175.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -103.56 16.27 26.87 Favored 'General case' 0 CA--C 1.586 2.331 0 CA-C-N 121.308 2.554 . . . . 0.0 116.097 -176.501 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 84.69 18.49 61.65 Favored Glycine 0 N--CA 1.508 3.473 0 CA-C-N 125.208 3.64 . . . . 0.0 118.951 -179.611 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . 0.27 6.8 pt-20 -147.26 156.99 43.42 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 125.031 1.332 . . . . 0.0 107.831 178.631 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.78 121.03 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 120.0 -1.688 . . . . 0.0 109.554 -173.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 85.4 p -99.96 173.13 6.8 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 124.991 1.316 . . . . 0.0 111.467 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -57.53 -46.75 83.48 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -178.182 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -30.11 71.08 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-N 121.159 1.799 . . . . 0.0 112.372 177.696 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -78.21 -23.28 47.56 Favored 'General case' 0 CA--C 1.589 2.446 0 CA-C-N 122.123 2.238 . . . . 0.0 111.725 173.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 162' ' ' PHE . . . . . 0.474 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -61.85 -56.75 16.12 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 126.793 2.037 . . . . 0.0 108.803 173.686 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 163' ' ' LEU . . . . . 0.402 HD21 ' H ' ' A' ' 164' ' ' ARG . 0.0 OUTLIER -80.12 -60.06 2.48 Favored 'General case' 0 CA--C 1.589 2.449 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 176.357 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 164' ' ' ARG . . . . . 0.402 ' H ' HD21 ' A' ' 163' ' ' LEU . 1.4 tmm_? -80.2 -23.38 41.01 Favored 'General case' 0 CA--C 1.573 1.86 1 N-CA-C 122.082 4.105 . . . . 0.0 122.082 -177.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.254 8.0 tp . . . . . 0 N--CA 1.526 3.357 0 CA-C-N 122.374 2.352 . . . . 0.0 116.979 -174.798 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 CA--C 1.575 1.94 0 CA-C-O 117.587 -1.197 . . . . 0.0 114.066 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.34 -48.27 59.08 Favored Glycine 0 N--CA 1.496 2.66 0 CA-C-N 121.602 2.001 . . . . 0.0 115.443 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.83 -42.03 91.06 Favored 'General case' 0 CA--C 1.575 1.935 0 CA-C-O 117.652 -1.166 . . . . 0.0 110.122 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -57.41 -43.74 84.01 Favored 'General case' 0 N--CA 1.506 2.361 0 CA-C-N 121.024 1.738 . . . . 0.0 110.275 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.21 -56.76 17.87 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.924 -1.11 . . . . 0.0 112.826 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.7 m -57.03 -39.01 74.0 Favored 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 176.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.43 -48.24 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 C-N-CA 124.986 1.315 . . . . 0.0 112.084 175.51 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 11.6 tpp -68.64 -39.35 80.79 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 178.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.6 p -76.72 -35.78 57.61 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 117.547 -1.216 . . . . 0.0 111.026 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 72.45 2.67 4.43 Favored 'General case' 0 CA--C 1.581 2.157 0 CA-C-N 120.705 1.593 . . . . 0.0 114.422 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -105.44 100.58 10.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.207 -1.558 . . . . 0.0 107.241 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -78.37 58.2 2.08 Favored 'General case' 0 N--CA 1.501 2.079 0 N-CA-C 114.976 1.472 . . . . 0.0 114.976 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.5 m 168.16 89.77 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 103.249 -2.871 . . . . 0.0 103.249 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -134.62 -79.19 0.45 Allowed 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -177.099 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.32 162.18 39.13 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-N 120.698 1.59 . . . . 0.0 114.187 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 59.52 169.36 0.07 Allowed 'General case' 0 CA--C 1.583 2.218 0 N-CA-C 118.565 2.802 . . . . 0.0 118.565 176.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.4 t -171.6 100.39 0.19 Allowed 'General case' 0 N--CA 1.499 1.979 1 N-CA-C 99.691 -4.188 . . . . 0.0 99.691 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.27 172.5 0.21 Allowed 'General case' 0 N--CA 1.513 2.687 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -171.214 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 71.94 -50.85 0.7 Allowed 'General case' 0 N--CA 1.527 3.414 0 O-C-N 118.107 -2.871 . . . . 0.0 112.131 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -51.53 -38.99 56.79 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 126.957 2.103 . . . . 0.0 112.022 175.044 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.8 tt -57.71 -43.58 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.375 0 CA-C-N 122.119 2.236 . . . . 0.0 111.532 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.498 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 15.6 mt -72.43 -44.64 62.14 Favored 'General case' 0 CA--C 1.563 1.461 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -67.79 -41.29 83.43 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-O 117.794 -1.098 . . . . 0.0 112.996 176.285 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.82 -43.85 74.73 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 121.088 1.767 . . . . 0.0 112.432 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.416 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.2 t80 -67.31 -46.16 74.37 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 121.19 1.814 . . . . 0.0 111.71 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . 0.25 8.6 tptt -64.49 -32.27 73.83 Favored 'General case' 0 CA--C 1.573 1.855 0 CA-C-O 116.987 -1.482 . . . . 0.0 112.572 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.0 mt -77.25 -19.91 55.93 Favored 'General case' 0 CA--C 1.592 2.571 0 CA-C-N 122.25 2.296 . . . . 0.0 111.287 171.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.7 -45.77 60.81 Favored 'General case' 0 CA--C 1.571 1.781 0 CA-C-N 121.218 1.826 . . . . 0.0 112.633 173.607 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -80.95 67.7 6.95 Favored 'General case' 0 CA--C 1.592 2.569 0 CA-C-N 119.338 0.972 . . . . 0.0 113.161 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -43.46 -21.61 0.03 OUTLIER 'General case' 0 N--CA 1.519 2.98 0 N-CA-C 117.193 2.294 . . . . 0.0 117.193 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -85.98 -2.83 58.67 Favored 'General case' 0 CA--C 1.585 2.324 0 CA-C-N 120.804 1.638 . . . . 0.0 112.215 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 69.87 -0.48 2.69 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 117.904 2.557 . . . . 0.0 117.904 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 27.6 p -70.14 -40.08 75.01 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 125.774 1.629 . . . . 0.0 112.481 178.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 88.26 57.6 1.87 Allowed Glycine 0 CA--C 1.538 1.478 0 N-CA-C 116.664 1.426 . . . . 0.0 116.664 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -148.17 109.87 4.46 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.2 mp -101.47 124.81 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.625 0 CA-C-N 121.063 1.756 . . . . 0.0 106.533 176.143 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 62.4 p -104.44 166.64 10.26 Favored 'General case' 0 CA--C 1.587 2.395 0 CA-C-N 113.274 -1.785 . . . . 0.0 107.704 174.648 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -54.45 -35.31 62.87 Favored 'General case' 0 N--CA 1.511 2.613 0 O-C-N 119.947 -1.721 . . . . 0.0 115.136 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -62.52 -42.03 99.24 Favored 'General case' 0 CA--C 1.583 2.231 0 O-C-N 120.951 -1.093 . . . . 0.0 111.832 177.112 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -35.66 81.75 Favored 'General case' 0 CA--C 1.579 2.061 0 O-C-N 120.609 -1.307 . . . . 0.0 109.565 174.792 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.19 -42.64 69.95 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 120.77 1.623 . . . . 0.0 110.272 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -57.27 -49.76 75.03 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-N 119.325 0.966 . . . . 0.0 111.114 174.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -52.97 -51.43 61.55 Favored 'General case' 0 N--CA 1.507 2.409 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 4.0 t -73.26 -34.35 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 CA-C-O 117.881 -1.057 . . . . 0.0 112.29 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.17 83.18 Favored 'General case' 0 CA--C 1.572 1.815 0 CA-C-N 121.09 1.768 . . . . 0.0 112.292 173.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -70.68 -46.28 63.47 Favored 'General case' 0 CA--C 1.574 1.875 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -74.04 -19.99 60.45 Favored 'General case' 0 CA--C 1.57 1.722 0 N-CA-C 119.103 3.001 . . . . 0.0 119.103 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.99 -73.82 0.14 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.656 1.571 . . . . 0.0 113.244 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -170.71 -45.52 0.03 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 117.38 1.712 . . . . 0.0 117.38 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -132.96 99.24 4.52 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 119.23 1.515 . . . . 0.0 107.775 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -64.48 146.75 54.07 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 117.104 2.261 . . . . 0.0 117.104 -177.485 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 6.5 mp -105.73 178.77 4.46 Favored 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 124.799 1.24 . . . . 0.0 112.873 179.506 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 15.0 t -97.83 158.45 15.51 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.362 -0.836 . . . . 0.0 110.008 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.22 -46.62 54.79 Favored 'General case' 0 N--CA 1.512 2.668 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.03 -46.3 89.78 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 124.839 1.256 . . . . 0.0 114.118 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . 0.261 13.5 tp10 -60.21 -48.64 80.87 Favored 'General case' 0 CA--C 1.585 2.294 0 C-N-CA 124.836 1.254 . . . . 0.0 111.564 176.865 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 16.0 mt -56.29 -36.15 68.32 Favored 'General case' 0 CA--C 1.583 2.233 0 O-C-N 120.104 -1.623 . . . . 0.0 111.082 172.231 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.506 HE22 ' CG2' ' A' ' 146' ' ' ILE . 0.7 OUTLIER -67.79 -36.85 81.17 Favored 'General case' 0 C--N 1.372 1.565 0 CA-C-O 117.796 -1.097 . . . . 0.0 111.003 178.172 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -59.66 -40.2 86.98 Favored 'General case' 0 CA--C 1.587 2.401 0 CA-C-N 120.438 1.472 . . . . 0.0 109.748 172.098 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -41.48 91.25 Favored 'General case' 0 CA--C 1.588 2.438 0 O-C-N 121.136 -0.977 . . . . 0.0 111.419 173.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.506 ' CG2' HE22 ' A' ' 143' ' ' GLN . 8.4 mm -60.26 -53.56 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 C-N-CA 124.943 1.297 . . . . 0.0 109.644 173.004 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -53.97 -48.05 70.73 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 117.477 -1.249 . . . . 0.0 111.97 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -59.84 -38.98 83.62 Favored 'General case' 0 N--CA 1.514 2.757 0 CA-C-N 121.175 1.807 . . . . 0.0 113.808 174.849 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.86 -26.85 54.72 Favored 'General case' 0 CA--C 1.573 1.86 0 N-CA-C 118.97 2.952 . . . . 0.0 118.97 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.261 34.4 t70 -97.19 27.05 4.33 Favored 'General case' 0 CA--C 1.583 2.243 0 N-CA-C 117.963 2.579 . . . . 0.0 117.963 -177.524 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -27.13 59.87 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 118.988 2.959 . . . . 0.0 118.988 -176.798 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -123.25 44.81 2.58 Favored 'General case' 0 CA--C 1.588 2.412 0 C-N-CA 125.756 1.622 . . . . 0.0 107.756 176.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -143.32 -153.3 5.84 Favored Glycine 0 CA--C 1.574 3.741 0 CA-C-N 121.842 2.11 . . . . 0.0 113.989 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -128.88 24.45 5.67 Favored 'General case' 0 CA--C 1.602 2.945 0 O-C-N 120.622 -1.516 . . . . 0.0 114.031 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 107.17 17.64 11.34 Favored Glycine 0 CA--C 1.569 3.422 0 O-C-N 117.957 -2.964 . . . . 0.0 115.136 -176.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -160.06 151.33 19.49 Favored 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 127.2 2.2 . . . . 0.0 106.738 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 4.3 t -99.75 116.24 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 119.35 -2.094 . . . . 0.0 107.617 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 6.1 p -101.35 -179.97 4.19 Favored 'General case' 0 CA--C 1.571 1.787 0 CA-C-O 124.55 2.119 . . . . 0.0 111.713 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -48.19 13.17 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 112.78 -2.009 . . . . 0.0 113.772 175.765 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -57.24 -43.62 83.11 Favored 'General case' 0 CA--C 1.568 1.639 0 O-C-N 119.796 -1.815 . . . . 0.0 114.255 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.256 15.8 mt-10 -75.79 -19.92 58.61 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 120.279 1.4 . . . . 0.0 113.583 175.207 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.498 ' CE1' ' HA ' ' A' ' 107' ' ' LEU . 23.7 t80 -73.08 -48.23 37.65 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 125.419 1.488 . . . . 0.0 111.975 173.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.07 -20.94 44.02 Favored 'General case' 0 CA--C 1.572 1.821 0 C-N-CA 125.504 1.522 . . . . 0.0 114.072 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -19.99 0.62 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 176.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.501 2.097 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 176.893 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 . . . . . 0 N--CA 1.498 1.95 1 N-CA-C 122.365 4.209 . . . . 0.0 122.365 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -42.81 -50.35 5.98 Favored Glycine 0 N--CA 1.509 3.507 0 CA-C-N 122.154 2.252 . . . . 0.0 117.41 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -61.96 -48.1 81.92 Favored 'General case' 0 CA--C 1.575 1.91 0 C-N-CA 124.724 1.21 . . . . 0.0 113.181 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -56.16 -42.87 77.72 Favored 'General case' 0 N--CA 1.503 2.177 0 C-N-CA 124.83 1.252 . . . . 0.0 111.335 174.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.67 -53.85 52.38 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.72 1.208 . . . . 0.0 110.808 175.672 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.5 m -55.99 -41.39 74.75 Favored 'General case' 0 N--CA 1.506 2.341 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -45.35 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.136 0 C-N-CA 125.101 1.36 . . . . 0.0 112.503 174.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.476 ' SD ' ' O ' ' A' ' 135' ' ' GLU . 32.1 tpp -72.44 -36.6 68.58 Favored 'General case' 0 CA--C 1.563 1.471 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.59 ' C ' ' H ' ' A' ' 96' ' ' LYS . 42.1 p -79.35 -60.31 2.42 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 115.129 -2.367 . . . . 0.0 104.924 177.203 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 57.83 -37.43 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 117.846 2.536 . . . . 0.0 117.846 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.59 ' H ' ' C ' ' A' ' 94' ' ' THR . 17.0 pttm -165.91 144.28 5.84 Favored 'General case' 0 CA--C 1.569 1.699 0 C-N-CA 126.07 1.748 . . . . 0.0 113.093 -176.669 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 65.5 mtm 63.11 -46.01 0.21 Allowed 'General case' 0 N--CA 1.507 2.398 0 N-CA-C 120.704 3.594 . . . . 0.0 120.704 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.8 t -64.49 -71.67 0.17 Allowed 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 121.182 1.81 . . . . 0.0 114.635 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -148.17 166.22 28.55 Favored 'General case' 0 CA--C 1.576 1.943 0 CA-C-O 122.239 1.018 . . . . 0.0 111.105 177.345 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.01 68.05 1.2 Allowed 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -175.79 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.85 159.27 42.83 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 119.435 -2.04 . . . . 0.0 115.399 -179.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 36.3 m -149.75 120.37 7.49 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 99.53 152.93 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.625 0 C-N-CA 128.806 2.842 . . . . 0.0 109.047 -176.367 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 68.19 -59.12 0.44 Allowed 'General case' 0 N--CA 1.534 3.755 0 CA-C-N 124.039 3.109 . . . . 0.0 110.678 -175.143 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -30.27 34.27 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 126.91 2.084 . . . . 0.0 113.887 174.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.1 tt -58.95 -43.76 89.45 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.731 0 CA-C-N 120.662 1.574 . . . . 0.0 110.863 176.216 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -70.67 -45.07 65.74 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 118.549 -0.739 . . . . 0.0 112.565 177.09 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -65.63 -49.81 67.31 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 117.393 -1.289 . . . . 0.0 112.255 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.72 99.55 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 121.058 1.754 . . . . 0.0 114.38 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.485 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 18.3 t80 -71.32 -42.06 69.09 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 121.156 1.798 . . . . 0.0 112.548 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -68.06 -34.18 75.95 Favored 'General case' 0 CA--C 1.581 2.168 0 CA-C-O 116.485 -1.722 . . . . 0.0 111.622 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.0 pp -74.94 -30.68 61.3 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 122.908 2.595 . . . . 0.0 112.56 173.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.8 m-30 -55.81 -47.4 77.23 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 119.419 1.008 . . . . 0.0 112.761 173.42 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -79.26 79.17 5.71 Favored 'General case' 0 CA--C 1.592 2.595 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.925 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.14 -21.01 0.02 OUTLIER 'General case' 0 N--CA 1.517 2.925 0 N-CA-C 117.54 2.422 . . . . 0.0 117.54 175.23 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -92.06 -4.77 53.98 Favored 'General case' 0 CA--C 1.59 2.492 0 CA-C-N 120.654 1.57 . . . . 0.0 112.635 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 67.92 2.78 3.25 Favored 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.409 ' CB ' ' HZ1' ' A' ' 120' ' ' LYS . 64.6 p -72.14 -52.76 15.16 Favored 'General case' 0 CA--C 1.566 1.571 0 C-N-CA 126.828 2.051 . . . . 0.0 110.068 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 107.32 57.09 0.6 Allowed Glycine 0 CA--C 1.539 1.574 0 N-CA-C 118.884 2.314 . . . . 0.0 118.884 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.409 ' HZ1' ' CB ' ' A' ' 118' ' ' THR . 0.1 OUTLIER -137.71 109.97 7.35 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 120.099 1.95 . . . . 0.0 109.842 174.53 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.35 119.91 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.258 -0.901 . . . . 0.0 109.166 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.4 t -100.3 170.48 8.4 Favored 'General case' 0 CA--C 1.59 2.484 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 172.604 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -44.0 -38.0 3.27 Favored 'General case' 0 N--CA 1.513 2.707 0 N-CA-C 117.836 2.532 . . . . 0.0 117.836 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -56.93 -46.83 81.77 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.304 5.8 t-20 -66.35 -42.03 88.66 Favored 'General case' 0 N--CA 1.51 2.532 0 CA-C-O 114.794 -2.527 . . . . 0.0 108.575 177.036 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.8 mp -51.56 -38.68 55.47 Favored 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 123.279 2.763 . . . . 0.0 113.329 174.067 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.345 12.1 ptmt -72.84 -36.9 67.55 Favored 'General case' 0 CA--C 1.589 2.457 0 CA-C-O 115.932 -1.985 . . . . 0.0 110.794 176.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -61.43 -44.88 96.35 Favored 'General case' 0 N--CA 1.517 2.912 0 CA-C-N 124.046 3.112 . . . . 0.0 111.876 173.894 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -59.73 -44.29 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 123.558 0.743 . . . . 0.0 111.325 177.374 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.15 75.85 Favored 'General case' 0 CA--C 1.563 1.448 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -32.26 63.84 Favored 'General case' 0 CA--C 1.585 2.308 0 CA-C-N 120.355 1.434 . . . . 0.0 113.993 174.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -80.11 -34.38 37.91 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 119.173 3.027 . . . . 0.0 119.173 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.68 -67.56 0.4 Allowed 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -170.99 -39.37 0.03 OUTLIER Glycine 0 N--CA 1.489 2.232 0 N-CA-C 119.185 2.434 . . . . 0.0 119.185 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.476 ' O ' ' SD ' ' A' ' 93' ' ' MET . 30.5 tt0 -147.78 98.68 3.0 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-N 120.593 2.197 . . . . 0.0 110.639 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -67.18 131.36 45.64 Favored 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.83 -115.13 0.08 Allowed 'General case' 0 CA--C 1.574 1.883 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.5 t -154.85 165.52 36.38 Favored 'General case' 0 CA--C 1.559 1.291 0 CA-C-O 124.05 1.881 . . . . 0.0 108.302 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -40.56 -51.07 2.98 Favored 'General case' 0 CA--C 1.569 1.679 0 N-CA-C 117.052 2.242 . . . . 0.0 117.052 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.4 -42.54 98.78 Favored 'General case' 0 CA--C 1.569 1.708 0 C-N-CA 125.258 1.423 . . . . 0.0 113.317 178.155 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.6 -51.76 68.43 Favored 'General case' 0 N--CA 1.505 2.295 0 CA-C-N 119.05 0.841 . . . . 0.0 110.85 175.137 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.83 -37.23 73.44 Favored 'General case' 0 CA--C 1.568 1.642 0 O-C-N 121.143 -0.973 . . . . 0.0 113.231 175.462 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.1 tp60 -71.28 -37.35 71.89 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 118.001 -0.999 . . . . 0.0 111.356 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -60.7 -40.63 92.93 Favored 'General case' 0 CA--C 1.585 2.292 0 CA-C-N 119.665 1.12 . . . . 0.0 109.552 173.324 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.5 mmm -62.35 -40.41 96.29 Favored 'General case' 0 CA--C 1.582 2.184 0 O-C-N 121.17 -0.956 . . . . 0.0 111.494 173.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.1 mm -59.23 -55.02 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 C-N-CA 124.455 1.102 . . . . 0.0 109.654 174.159 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -53.4 -42.31 66.84 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -73.19 -27.28 61.54 Favored 'General case' 0 CA--C 1.595 2.71 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 175.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.06 -44.38 20.16 Favored 'General case' 0 CA--C 1.58 2.107 0 C-N-CA 126.299 1.84 . . . . 0.0 115.51 175.466 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -67.95 60.83 0.07 Allowed 'General case' 0 CA--C 1.594 2.66 0 C-N-CA 127.515 2.326 . . . . 0.0 114.102 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -25.82 63.82 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 117.778 -3.076 . . . . 0.0 118.359 -176.622 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.47 -35.29 65.67 Favored 'General case' 0 CA--C 1.59 2.497 0 CA-C-N 119.424 1.011 . . . . 0.0 110.531 173.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 106.75 3.66 36.9 Favored Glycine 0 N--CA 1.495 2.591 1 N-CA-C 123.775 4.27 . . . . 0.0 123.775 176.397 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -89.43 -26.26 21.08 Favored 'General case' 0 N--CA 1.504 2.261 0 CA-C-N 122.347 3.074 . . . . 0.0 114.966 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 127.47 28.28 0.91 Allowed Glycine 0 CA--C 1.551 2.314 0 N-CA-C 117.091 1.596 . . . . 0.0 117.091 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -160.04 149.7 18.0 Favored 'General case' 0 CA--C 1.568 1.645 0 CA-C-N 119.154 1.477 . . . . 0.0 111.228 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 6.6 t -99.78 122.89 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 -177.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 62.8 m -99.89 171.04 8.11 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.305 0.0 OUTLIER -55.85 -45.37 78.48 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 116.023 -1.942 . . . . 0.0 113.357 179.261 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.407 ' HA ' ' CD1' ' A' ' 163' ' ' LEU . 7.0 mm100 -62.89 -35.64 80.7 Favored 'General case' 0 CA--C 1.579 2.08 0 CA-C-N 123.211 2.732 . . . . 0.0 112.666 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.22 -22.79 59.21 Favored 'General case' 0 N--CA 1.506 2.361 0 CA-C-N 120.966 1.712 . . . . 0.0 112.458 174.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.2 OUTLIER -69.9 -59.06 3.16 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.431 1.493 . . . . 0.0 112.83 176.671 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.407 ' CD1' ' HA ' ' A' ' 160' ' ' GLN . 0.4 OUTLIER -80.08 -40.33 27.83 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 117.928 -1.034 . . . . 0.0 112.864 -179.03 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -80.1 -19.89 46.34 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 117.258 2.318 . . . . 0.0 117.258 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 N--CA 1.514 2.752 0 C-N-CA 127.635 2.374 . . . . 0.0 117.081 -177.808 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 N--CA 1.515 2.805 0 N-CA-C 119.251 3.056 . . . . 0.0 119.251 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.04 -39.73 26.85 Favored Glycine 0 N--CA 1.495 2.628 0 C-N-CA 125.331 1.443 . . . . 0.0 115.645 177.412 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -56.37 -47.05 79.67 Favored 'General case' 0 CA--C 1.577 1.998 0 C-N-CA 125.101 1.361 . . . . 0.0 112.332 173.835 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -63.94 -45.82 87.46 Favored 'General case' 0 CA--C 1.583 2.227 0 CA-C-N 119.439 1.018 . . . . 0.0 110.565 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.0 tp -60.33 -51.65 68.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.614 -1.304 . . . . 0.0 111.717 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.613 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 3.8 m -54.62 -38.01 66.3 Favored 'General case' 0 N--CA 1.499 2.022 0 C-N-CA 124.067 0.947 . . . . 0.0 113.468 176.73 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -49.15 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 C-N-CA 124.445 1.098 . . . . 0.0 110.671 175.206 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.475 ' SD ' HD12 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -65.28 -45.96 82.34 Favored 'General case' 0 CA--C 1.582 2.207 0 CA-C-N 118.32 0.509 . . . . 0.0 111.227 173.947 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.613 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 66.8 p -51.21 -50.92 58.16 Favored 'General case' 0 N--CA 1.511 2.622 0 C-N-CA 124.944 1.298 . . . . 0.0 112.856 176.097 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -62.36 -31.61 72.28 Favored 'General case' 0 CA--C 1.57 1.734 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -76.78 -50.12 14.29 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 120.319 1.418 . . . . 0.0 112.939 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.9 ttt -98.19 -111.92 0.16 Allowed 'General case' 0 CA--C 1.57 1.74 0 CA-C-N 120.228 1.376 . . . . 0.0 107.436 177.752 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 t -158.77 62.54 0.42 Allowed 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 121.356 1.889 . . . . 0.0 110.2 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -101.72 162.54 12.83 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 122.295 1.045 . . . . 0.0 112.127 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -111.67 -170.19 1.6 Allowed 'General case' 0 CA--C 1.58 2.11 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 -177.863 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 72.83 145.79 0.08 Allowed 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.6 t -171.41 129.4 0.7 Allowed 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 125.664 1.586 . . . . 0.0 106.978 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.32 151.99 0.12 Allowed 'General case' 0 CA--C 1.597 2.769 0 C-N-CA 125.975 1.71 . . . . 0.0 110.858 -176.124 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 66.87 -50.65 0.47 Allowed 'General case' 0 N--CA 1.539 3.988 0 CA-C-N 124.118 3.145 . . . . 0.0 111.311 -173.638 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -54.36 -28.6 44.14 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.436 2.295 . . . . 0.0 113.139 173.162 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.6 tt -54.43 -40.8 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 CA-C-N 121.755 2.07 . . . . 0.0 111.029 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.72 -44.52 73.69 Favored 'General case' 0 CA--C 1.559 1.295 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -68.68 -48.45 63.9 Favored 'General case' 0 CA--C 1.563 1.466 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.723 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.78 95.12 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-O 117.11 -1.424 . . . . 0.0 113.825 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.447 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 9.8 t80 -68.11 -44.26 76.58 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 121.35 1.886 . . . . 0.0 111.741 177.729 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -65.35 -33.05 75.05 Favored 'General case' 0 CA--C 1.582 2.18 0 CA-C-N 121.265 1.848 . . . . 0.0 111.998 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.4 pp -74.95 -32.49 61.74 Favored 'General case' 0 CA--C 1.582 2.192 0 CA-C-N 122.627 2.467 . . . . 0.0 112.089 173.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -47.62 82.92 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 125.329 1.452 . . . . 0.0 112.516 173.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -92.89 74.85 4.85 Favored 'General case' 0 CA--C 1.597 2.772 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -57.34 -24.7 56.81 Favored 'General case' 0 N--CA 1.51 2.574 0 CA-C-N 123.357 2.799 . . . . 0.0 117.043 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -82.31 -6.28 59.14 Favored 'General case' 0 CA--C 1.588 2.408 0 CA-C-N 121.24 1.836 . . . . 0.0 113.61 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 78.56 -9.38 1.51 Allowed 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 120.902 3.667 . . . . 0.0 120.902 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.7 p -52.06 -40.4 61.1 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 125.798 1.639 . . . . 0.0 113.84 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.86 73.4 1.28 Allowed Glycine 0 CA--C 1.533 1.183 0 N-CA-C 115.971 1.148 . . . . 0.0 115.971 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.45 109.89 2.43 Favored 'General case' 0 CA--C 1.569 1.7 0 C-N-CA 123.85 0.86 . . . . 0.0 111.981 178.021 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.7 mp -112.29 123.37 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 175.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.3 p -101.2 172.02 7.25 Favored 'General case' 0 CA--C 1.579 2.094 0 CA-C-N 113.201 -1.818 . . . . 0.0 108.02 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 2.9 t80 -53.99 -37.35 63.92 Favored 'General case' 0 CA--C 1.588 2.434 0 N-CA-C 116.018 1.859 . . . . 0.0 116.018 179.458 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -42.83 91.07 Favored 'General case' 0 CA--C 1.586 2.365 0 O-C-N 120.038 -1.664 . . . . 0.0 112.952 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.26 2.1 t-20 -65.77 -32.33 73.8 Favored 'General case' 0 N--CA 1.514 2.763 0 O-C-N 120.593 -1.317 . . . . 0.0 109.026 175.315 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 87.6 mt -55.88 -44.73 78.43 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-N 121.388 1.904 . . . . 0.0 110.332 171.943 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -52.04 -51.53 56.88 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 125.272 1.429 . . . . 0.0 110.808 174.565 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -59.95 -43.37 95.06 Favored 'General case' 0 N--CA 1.515 2.781 0 C-N-CA 118.433 -1.307 . . . . 0.0 113.638 176.448 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 47.7 t -70.03 -34.05 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 CA-C-O 118.775 -0.631 . . . . 0.0 111.562 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.54 -52.07 66.17 Favored 'General case' 0 CA--C 1.563 1.458 0 CA-C-N 119.796 1.18 . . . . 0.0 111.369 175.413 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -68.51 -35.39 77.43 Favored 'General case' 0 CA--C 1.581 2.16 0 CA-C-N 119.648 1.113 . . . . 0.0 113.958 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -72.73 -29.35 63.28 Favored 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 116.266 1.95 . . . . 0.0 116.266 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 13.6 mt -67.47 -73.23 0.14 Allowed 'General case' 0 CA--C 1.563 1.47 0 C-N-CA 125.325 1.45 . . . . 0.0 113.17 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -153.18 -46.16 0.02 OUTLIER Glycine 0 N--CA 1.488 2.117 0 CA-C-O 118.693 -1.059 . . . . 0.0 115.061 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -147.65 133.25 18.79 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 119.275 1.538 . . . . 0.0 109.007 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -81.82 98.48 8.5 Favored 'General case' 0 CA--C 1.561 1.378 0 O-C-N 121.069 -1.019 . . . . 0.0 110.114 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.475 HD12 ' SD ' ' A' ' 93' ' ' MET . 8.7 mp -70.33 177.63 3.26 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 121.509 0.671 . . . . 0.0 112.545 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.4 t -80.45 156.95 26.36 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 123.074 1.416 . . . . 0.0 112.681 -176.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -41.7 -50.4 4.22 Favored 'General case' 0 CA--C 1.572 1.817 0 N-CA-C 117.766 2.506 . . . . 0.0 117.766 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -62.37 -45.35 93.54 Favored 'General case' 0 CA--C 1.568 1.649 0 C-N-CA 125.638 1.575 . . . . 0.0 113.135 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.2 tp10 -58.6 -52.3 66.24 Favored 'General case' 0 CA--C 1.583 2.215 0 C-N-CA 124.383 1.073 . . . . 0.0 111.343 175.345 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 18.1 mt -57.85 -44.6 86.64 Favored 'General case' 0 CA--C 1.583 2.244 0 O-C-N 120.722 -1.236 . . . . 0.0 112.309 175.163 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.482 HE22 ' CG2' ' A' ' 146' ' ' ILE . 0.7 OUTLIER -64.05 -37.36 87.13 Favored 'General case' 0 CA--C 1.572 1.803 0 O-C-N 121.238 -0.914 . . . . 0.0 111.956 177.454 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.13 -39.51 82.56 Favored 'General case' 0 CA--C 1.585 2.299 0 CA-C-N 120.294 1.407 . . . . 0.0 110.391 173.328 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.4 mmt -61.68 -38.4 87.67 Favored 'General case' 0 CA--C 1.584 2.261 0 O-C-N 121.335 -0.853 . . . . 0.0 111.245 173.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.482 ' CG2' HE22 ' A' ' 143' ' ' GLN . 7.1 mm -61.75 -53.32 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.684 -1.26 . . . . 0.0 109.883 173.325 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -51.93 -38.76 57.6 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 119.597 1.089 . . . . 0.0 113.379 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.63 -54.86 37.27 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 123.602 1.668 . . . . 0.0 114.654 170.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.2 97.27 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 118.021 2.6 . . . . 0.0 118.021 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . 0.413 ' CG ' ' H ' ' A' ' 155' ' ' GLY 0.291 35.6 t70 -70.51 37.31 0.05 OUTLIER 'General case' 0 CA--C 1.595 2.676 0 C-N-CA 126.857 2.063 . . . . 0.0 116.525 -179.529 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.16 -40.71 11.52 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 120.065 3.357 . . . . 0.0 120.065 -175.096 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -131.12 52.4 2.06 Favored 'General case' 0 CA--C 1.579 2.074 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -131.9 -153.29 7.38 Favored Glycine 0 CA--C 1.571 3.538 0 O-C-N 120.147 -1.596 . . . . 0.0 113.254 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -137.75 43.74 2.24 Favored 'General case' 0 CA--C 1.605 3.063 0 O-C-N 120.583 -1.539 . . . . 0.0 108.464 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . 0.413 ' H ' ' CG ' ' A' ' 150' ' ' ASP . . . 95.05 19.83 29.83 Favored Glycine 0 CA--C 1.567 3.332 0 O-C-N 117.616 -3.178 . . . . 0.0 114.755 -175.47 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -160.04 150.16 18.4 Favored 'General case' 0 CA--C 1.572 1.794 0 C-N-CA 126.178 1.791 . . . . 0.0 108.15 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.6 t -99.76 119.23 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 119.989 -1.694 . . . . 0.0 108.384 -174.603 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 16.6 m -100.01 173.05 6.84 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -51.79 -49.35 62.88 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -36.59 83.97 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 120.73 1.605 . . . . 0.0 113.868 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -75.27 -24.06 57.51 Favored 'General case' 0 CA--C 1.581 2.142 0 CA-C-N 121.725 2.057 . . . . 0.0 112.939 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.447 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -62.91 -59.33 4.98 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.141 1.776 . . . . 0.0 109.561 174.179 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.03 -60.05 2.48 Favored 'General case' 0 CA--C 1.579 2.061 0 CA-C-O 118.152 -0.928 . . . . 0.0 112.422 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -80.19 -23.82 40.74 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 121.095 3.739 . . . . 0.0 121.095 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.2 tp . . . . . 0 N--CA 1.518 2.949 0 CA-C-N 123.348 2.795 . . . . 0.0 117.251 -176.401 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 N--CA 1.517 2.902 0 N-CA-C 117.337 2.347 . . . . 0.0 117.337 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.02 -34.67 31.49 Favored Glycine 0 N--CA 1.496 2.647 0 O-C-N 121.251 -0.906 . . . . 0.0 115.332 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.27 -51.75 68.48 Favored 'General case' 0 CA--C 1.568 1.637 0 C-N-CA 125.642 1.577 . . . . 0.0 110.645 175.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.38 -47.25 82.16 Favored 'General case' 0 N--CA 1.5 2.068 0 CA-C-N 120.487 1.494 . . . . 0.0 110.299 173.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.0 tp -56.01 -53.83 52.17 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.622 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 7.3 t -61.7 -36.24 80.34 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 117.698 -1.144 . . . . 0.0 112.846 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.4 t -58.44 -48.27 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 CA-C-N 120.401 1.455 . . . . 0.0 111.97 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -53.95 28.8 Favored 'General case' 0 CA--C 1.581 2.14 0 CA-C-N 118.612 0.642 . . . . 0.0 111.539 176.287 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.622 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 38.4 p -52.64 -55.27 23.67 Favored 'General case' 0 N--CA 1.51 2.55 0 C-N-CA 126.104 1.762 . . . . 0.0 113.737 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -61.98 -39.54 92.51 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.431 ' HZ3' ' CD ' ' A' ' 135' ' ' GLU . 0.7 OUTLIER -67.52 -40.7 85.1 Favored 'General case' 0 CA--C 1.574 1.899 0 CA-C-N 119.599 1.09 . . . . 0.0 112.925 176.817 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.9 ttt -75.99 -43.33 44.96 Favored 'General case' 0 CA--C 1.579 2.077 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 176.371 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.3 t 106.41 93.63 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 128.061 2.545 . . . . 0.0 108.979 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.23 -92.81 0.46 Allowed 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 118.257 -0.878 . . . . 0.0 109.061 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.87 -58.78 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 CA-C-N 121.448 1.931 . . . . 0.0 113.563 179.105 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.492 ' CG ' ' HG1' ' A' ' 94' ' ' THR . 9.7 m-20 64.22 106.21 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 179.476 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.9 t -167.05 -175.7 3.1 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.331 -1.481 . . . . 0.0 110.959 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.85 164.5 21.86 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 119.752 -1.843 . . . . 0.0 111.19 176.316 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 68.84 -42.02 0.48 Allowed 'General case' 0 N--CA 1.529 3.499 0 CA-C-N 123.116 2.689 . . . . 0.0 111.127 -171.769 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -54.82 -36.98 65.57 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.163 1.785 . . . . 0.0 112.296 175.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.4 tt -59.64 -40.77 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.49 0 CA-C-N 121.434 1.925 . . . . 0.0 111.105 174.042 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.444 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 3.3 mp -69.53 -48.57 60.04 Favored 'General case' 0 CA--C 1.556 1.211 0 CA-C-O 118.626 -0.702 . . . . 0.0 112.651 178.283 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -64.99 -41.46 95.38 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-O 117.468 -1.253 . . . . 0.0 111.648 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.8 85.17 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 121.189 1.813 . . . . 0.0 113.961 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.48 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.4 t80 -67.17 -41.57 85.74 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 121.595 1.998 . . . . 0.0 111.477 176.425 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -67.44 -32.19 72.89 Favored 'General case' 0 CA--C 1.58 2.121 0 CA-C-N 120.078 1.308 . . . . 0.0 112.216 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp -77.12 -26.29 53.07 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-N 122.155 2.252 . . . . 0.0 111.108 171.817 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -51.95 67.01 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 119.903 1.228 . . . . 0.0 109.387 172.598 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -68.83 73.28 0.26 Allowed 'General case' 0 CA--C 1.586 2.351 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.73 -15.05 0.08 Allowed 'General case' 0 CA--C 1.606 3.121 0 O-C-N 118.68 -2.513 . . . . 0.0 115.523 173.529 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 50.9 p30 -88.49 -16.41 32.8 Favored 'General case' 0 CA--C 1.581 2.137 0 C-N-CA 126.089 1.755 . . . . 0.0 112.804 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 78.22 -1.02 2.56 Favored 'General case' 0 CA--C 1.586 2.357 0 C-N-CA 127.642 2.377 . . . . 0.0 115.239 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 33.8 p -81.57 -14.6 56.62 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 118.769 -2.457 . . . . 0.0 115.834 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.09 51.54 22.75 Favored Glycine 0 CA--C 1.539 1.558 0 CA-C-N 121.365 1.893 . . . . 0.0 117.814 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -145.53 109.89 4.97 Favored 'General case' 0 CA--C 1.56 1.337 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.4 mp -109.97 126.2 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 CA-C-O 123.558 1.647 . . . . 0.0 107.742 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.4 p -104.56 176.89 5.01 Favored 'General case' 0 CA--C 1.578 2.052 0 CA-C-N 112.142 -2.299 . . . . 0.0 107.53 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 67.3 t80 -56.54 -35.74 68.46 Favored 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -179.669 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -64.88 -39.28 93.3 Favored 'General case' 0 CA--C 1.579 2.078 0 O-C-N 120.543 -1.348 . . . . 0.0 113.267 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.326 24.9 t-20 -73.59 -25.36 60.31 Favored 'General case' 0 CA--C 1.6 2.871 0 CA-C-N 120.194 1.361 . . . . 0.0 109.276 175.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 41.8 mt -57.28 -44.71 84.25 Favored 'General case' 0 N--CA 1.509 2.51 0 CA-C-N 122.109 2.231 . . . . 0.0 109.271 168.262 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -55.56 -44.24 76.65 Favored 'General case' 0 CA--C 1.568 1.662 0 CA-C-O 117.567 -1.206 . . . . 0.0 110.505 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.42 -54.94 29.61 Favored 'General case' 0 N--CA 1.504 2.229 0 CA-C-N 119.864 1.211 . . . . 0.0 111.649 174.069 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . 0.267 0.4 OUTLIER -61.82 -40.98 88.9 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.048 0 CA-C-N 119.749 1.159 . . . . 0.0 111.569 177.898 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.97 -49.75 70.62 Favored 'General case' 0 CA--C 1.581 2.159 0 CA-C-N 120.043 1.292 . . . . 0.0 112.16 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -76.03 -40.8 52.65 Favored 'General case' 0 CA--C 1.578 2.025 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.27 -40.01 84.73 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 115.972 1.842 . . . . 0.0 115.972 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -47.43 74.03 Favored 'General case' 0 CA--C 1.569 1.699 0 C-N-CA 124.766 1.226 . . . . 0.0 111.547 175.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 126.38 -42.78 1.43 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 117.895 1.918 . . . . 0.0 117.895 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.431 ' CD ' ' HZ3' ' A' ' 96' ' ' LYS . 33.3 mt-10 -112.07 122.5 47.92 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 118.738 1.269 . . . . 0.0 109.4 -178.818 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -139.78 171.51 14.12 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 116.723 2.119 . . . . 0.0 116.723 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -88.13 -125.96 0.05 Allowed 'General case' 0 CA--C 1.575 1.925 0 CA-C-N 114.619 -1.173 . . . . 0.0 112.085 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.7 t -141.26 168.1 20.58 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 123.766 1.746 . . . . 0.0 109.278 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -41.6 -51.67 3.93 Favored 'General case' 0 CA--C 1.57 1.741 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.73 -43.74 98.01 Favored 'General case' 0 CA--C 1.572 1.822 0 C-N-CA 125.588 1.555 . . . . 0.0 112.675 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.72 -52.87 63.83 Favored 'General case' 0 N--CA 1.505 2.319 0 C-N-CA 123.518 0.727 . . . . 0.0 110.769 175.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 14.2 mt -56.63 -36.15 69.14 Favored 'General case' 0 CA--C 1.573 1.844 0 O-C-N 120.796 -1.19 . . . . 0.0 113.014 175.142 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.257 22.3 tp60 -71.65 -35.89 70.53 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-O 117.751 -1.118 . . . . 0.0 110.621 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -59.13 -40.94 86.99 Favored 'General case' 0 CA--C 1.584 2.275 0 CA-C-N 120.357 1.435 . . . . 0.0 109.536 171.662 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 38.5 mmt -59.7 -38.28 81.16 Favored 'General case' 0 CA--C 1.583 2.24 0 C-N-CA 124.279 1.032 . . . . 0.0 112.421 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 4.6 mm -65.99 -60.08 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.662 -1.274 . . . . 0.0 110.672 173.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.82 -33.01 69.9 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -34.39 70.97 Favored 'General case' 0 N--CA 1.511 2.601 0 CA-C-N 121.039 1.745 . . . . 0.0 112.366 172.923 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.75 -37.49 41.08 Favored 'General case' 0 CA--C 1.585 2.31 0 N-CA-C 118.079 2.622 . . . . 0.0 118.079 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.89 20.42 0.0 OUTLIER 'General case' 0 CA--C 1.59 2.507 1 N-CA-C 122.628 4.307 . . . . 0.0 122.628 -177.65 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.87 -50.19 5.76 Favored 'General case' 0 N--CA 1.499 2.014 1 N-CA-C 124.669 5.063 . . . . 0.0 124.669 -169.049 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -117.63 47.77 1.48 Allowed 'General case' 0 CA--C 1.575 1.908 0 CA-C-N 121.342 1.883 . . . . 0.0 107.86 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -131.49 -129.26 3.03 Favored Glycine 0 CA--C 1.556 2.642 0 O-C-N 120.453 -1.404 . . . . 0.0 113.77 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -144.04 30.83 1.28 Allowed 'General case' 0 CA--C 1.591 2.528 0 CA-C-N 119.445 1.622 . . . . 0.0 109.134 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 92.48 29.61 10.84 Favored Glycine 0 N--CA 1.507 3.425 0 CA-C-N 123.219 2.736 . . . . 0.0 114.686 -175.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -160.04 157.93 29.56 Favored 'General case' 0 CA--C 1.581 2.135 0 C-N-CA 127.934 2.493 . . . . 0.0 104.829 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.79 123.89 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 118.837 -2.414 . . . . 0.0 110.901 -174.164 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.3 p -99.94 172.47 7.2 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 123.69 1.709 . . . . 0.0 112.126 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.281 0.0 OUTLIER -54.52 -43.45 71.91 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-O 116.891 -1.528 . . . . 0.0 113.285 178.11 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -34.47 77.96 Favored 'General case' 0 CA--C 1.567 1.627 0 CA-C-N 123.062 2.664 . . . . 0.0 113.046 177.306 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.06 -26.77 60.58 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-N 121.999 2.181 . . . . 0.0 112.326 173.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.48 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.0 OUTLIER -65.62 -60.22 3.13 Favored 'General case' 0 CA--C 1.563 1.442 0 CA-C-N 120.576 1.535 . . . . 0.0 110.886 175.913 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.8 pp -80.45 -60.1 2.45 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 177.797 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -80.1 -22.44 42.16 Favored 'General case' 0 N--CA 1.491 1.595 1 N-CA-C 123.256 4.539 . . . . 0.0 123.256 -174.225 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.252 5.5 mm . . . . . 0 CA--C 1.549 0.909 0 CA-C-N 124.396 3.271 . . . . 0.0 111.43 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 CA--C 1.611 3.324 0 CA-C-O 118.171 -0.919 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -42.31 -41.42 3.95 Favored Glycine 0 C--N 1.378 2.873 0 CA-C-N 122.678 2.49 . . . . 0.0 117.051 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -56.5 -53.53 56.37 Favored 'General case' 0 CA--C 1.585 2.3 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.551 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -55.39 -44.88 76.54 Favored 'General case' 0 N--CA 1.507 2.377 0 C-N-CA 124.361 1.065 . . . . 0.0 111.619 171.852 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.0 tp -58.75 -54.44 47.04 Favored 'General case' 0 CA--C 1.566 1.591 0 CA-C-O 116.755 -1.593 . . . . 0.0 111.171 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.449 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 4.3 t -58.46 -35.9 72.87 Favored 'General case' 0 N--CA 1.509 2.482 0 CA-C-N 121.588 1.994 . . . . 0.0 112.539 177.792 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.2 t -56.81 -47.14 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 CA-C-N 119.162 0.892 . . . . 0.0 109.861 173.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.426 ' SD ' ' HB3' ' A' ' 135' ' ' GLU . 0.0 OUTLIER -80.07 -31.45 39.37 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 177.246 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.449 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 31.4 p -41.86 -44.73 3.46 Favored 'General case' 0 N--CA 1.518 2.93 0 C-N-CA 126.902 2.081 . . . . 0.0 113.185 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -54.96 -24.49 24.21 Favored 'General case' 0 CA--C 1.583 2.223 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.03 -33.49 39.12 Favored 'General case' 0 CA--C 1.579 2.062 0 C-N-CA 124.372 1.069 . . . . 0.0 113.21 176.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 82.8 mtp -128.73 -93.57 0.44 Allowed 'General case' 0 CA--C 1.573 1.833 0 C-N-CA 124.284 1.034 . . . . 0.0 108.215 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.0 t -163.19 -68.55 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 CA-C-N 120.492 1.496 . . . . 0.0 111.106 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . 0.312 25.7 mm-40 59.59 -132.94 0.91 Allowed 'General case' 0 CA--C 1.582 2.205 0 N-CA-C 118.501 2.778 . . . . 0.0 118.501 179.147 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -137.69 -93.5 0.21 Allowed 'General case' 0 N--CA 1.509 2.514 0 CA-C-N 124.253 3.206 . . . . 0.0 117.632 -173.714 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 64.11 78.32 0.29 Allowed 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 126.593 1.957 . . . . 0.0 115.923 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.67 121.34 0.24 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 3.27 -67.43 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.093 0 N-CA-C 120.13 3.382 . . . . 0.0 120.13 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -44.27 -23.17 0.09 Allowed 'General case' 0 CA--C 1.612 3.352 0 CA-C-N 123.004 2.638 . . . . 0.0 115.934 170.873 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -52.92 -37.77 61.19 Favored 'General case' 0 C--N 1.373 1.596 0 C-N-CA 126.877 2.071 . . . . 0.0 112.371 173.91 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.1 tp -59.82 -49.74 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 CA-C-N 122.702 2.501 . . . . 0.0 111.98 178.353 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.5 mm? -73.36 -48.03 37.44 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 178.598 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -67.72 -42.61 81.66 Favored 'General case' 0 CA--C 1.562 1.421 0 CA-C-O 115.786 -2.054 . . . . 0.0 112.553 176.401 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.57 -41.09 76.31 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 123.472 2.851 . . . . 0.0 113.139 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.513 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 11.9 t80 -69.29 -45.8 68.75 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 122.213 2.279 . . . . 0.0 111.102 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . 0.283 5.1 mmtt -66.01 -31.27 72.08 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-N 121.205 1.82 . . . . 0.0 112.72 -178.262 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 pp -71.64 -30.92 66.29 Favored 'General case' 0 CA--C 1.581 2.16 0 CA-C-N 122.983 2.629 . . . . 0.0 111.524 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -63.02 -47.27 83.8 Favored 'General case' 0 CA--C 1.567 1.614 0 C-N-CA 124.564 1.146 . . . . 0.0 113.072 174.817 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -84.64 63.7 8.08 Favored 'General case' 0 CA--C 1.596 2.748 0 CA-C-N 119.949 1.25 . . . . 0.0 112.166 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -49.96 -19.55 0.73 Allowed 'General case' 0 N--CA 1.519 2.984 0 O-C-N 118.379 -2.7 . . . . 0.0 116.808 177.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -85.62 -3.08 58.78 Favored 'General case' 0 CA--C 1.591 2.555 0 CA-C-N 121.18 1.809 . . . . 0.0 112.625 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 80.67 -20.64 0.37 Allowed 'General case' 0 N--CA 1.514 2.754 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.484 ' HG1' ' N ' ' A' ' 119' ' ' GLY . 26.9 p -52.53 -39.57 61.54 Favored 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 127.394 2.278 . . . . 0.0 113.75 178.535 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.484 ' N ' ' HG1' ' A' ' 118' ' ' THR . . . 80.62 59.8 2.44 Favored Glycine 0 C--N 1.346 1.133 0 N-CA-C 118.17 2.028 . . . . 0.0 118.17 177.175 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -152.81 114.7 4.34 Favored 'General case' 0 CA--C 1.564 1.488 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.2 mp -99.87 127.69 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.433 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.4 p -107.59 172.61 6.73 Favored 'General case' 0 CA--C 1.576 1.944 0 CA-C-N 113.136 -1.847 . . . . 0.0 109.024 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -56.76 -34.38 67.52 Favored 'General case' 0 N--CA 1.507 2.42 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -63.49 -40.19 96.44 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.325 -0.859 . . . . 0.0 112.443 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.05 -35.08 79.58 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-O 117.721 -1.133 . . . . 0.0 108.856 174.586 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 44.9 mt -54.16 -47.16 72.27 Favored 'General case' 0 N--CA 1.506 2.353 0 CA-C-N 121.271 1.851 . . . . 0.0 110.508 172.116 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -56.13 -47.03 78.93 Favored 'General case' 0 N--CA 1.503 2.208 0 C-N-CA 123.427 0.691 . . . . 0.0 111.534 174.356 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -58.24 -50.7 72.65 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.494 -0.754 . . . . 0.0 112.048 174.908 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.9 t -65.53 -34.28 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.437 0 O-C-N 121.027 -1.046 . . . . 0.0 111.698 178.012 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.92 86.28 Favored 'General case' 0 CA--C 1.573 1.86 0 CA-C-N 119.485 1.039 . . . . 0.0 111.324 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -65.29 -39.98 93.26 Favored 'General case' 0 CA--C 1.586 2.344 0 CA-C-N 120.898 1.681 . . . . 0.0 111.484 173.653 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.34 -51.98 65.0 Favored 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 177.215 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.464 1.0 OUTLIER -54.48 -52.79 60.77 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 128.473 2.709 . . . . 0.0 115.823 173.107 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.55 -37.54 3.76 Favored Glycine 0 N--CA 1.486 2.005 0 CA-C-N 114.973 -1.012 . . . . 0.0 115.054 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.426 ' HB3' ' SD ' ' A' ' 93' ' ' MET . 3.3 tp10 -82.01 89.7 6.44 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-O 122.41 1.1 . . . . 0.0 108.972 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -91.75 109.48 20.8 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 121.656 0.741 . . . . 0.0 110.979 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.2 -109.09 0.03 OUTLIER 'General case' 0 CA--C 1.563 1.475 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.03 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.8 t -154.49 161.82 41.47 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 124.763 2.22 . . . . 0.0 108.357 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -42.83 -50.12 5.72 Favored 'General case' 0 CA--C 1.568 1.673 0 CA-C-N 111.571 -2.559 . . . . 0.0 117.249 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -63.41 -41.66 98.72 Favored 'General case' 0 CA--C 1.569 1.674 0 C-N-CA 125.652 1.581 . . . . 0.0 113.599 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -61.11 -54.72 41.09 Favored 'General case' 0 CA--C 1.58 2.113 0 C-N-CA 123.795 0.838 . . . . 0.0 110.398 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 10.7 mt -56.41 -39.1 72.49 Favored 'General case' 0 CA--C 1.576 1.944 0 O-C-N 120.681 -1.262 . . . . 0.0 112.918 174.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -68.22 -42.35 79.93 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-O 116.356 -1.783 . . . . 0.0 110.841 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.0 -37.83 77.8 Favored 'General case' 0 CA--C 1.578 2.039 0 CA-C-N 121.104 1.775 . . . . 0.0 110.146 174.545 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -43.52 95.83 Favored 'General case' 0 N--CA 1.506 2.345 0 CA-C-N 121.107 1.776 . . . . 0.0 110.796 172.844 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.4 mm -56.93 -52.1 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 C-N-CA 123.942 0.897 . . . . 0.0 109.892 172.834 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -51.07 -39.55 56.28 Favored 'General case' 0 CA--C 1.566 1.578 0 C-N-CA 125.01 1.324 . . . . 0.0 114.256 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -51.83 49.45 Favored 'General case' 0 N--CA 1.506 2.351 0 CA-C-O 122.349 1.071 . . . . 0.0 110.487 173.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.78 -41.6 95.72 Favored 'General case' 0 CA--C 1.575 1.911 0 N-CA-C 120.267 3.432 . . . . 0.0 120.267 -179.609 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -61.21 72.04 0.01 OUTLIER 'General case' 0 CA--C 1.598 2.804 0 N-CA-C 118.505 2.78 . . . . 0.0 118.505 -176.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -32.3 60.26 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 117.741 -3.1 . . . . 0.0 116.544 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -69.05 -33.27 73.31 Favored 'General case' 0 CA--C 1.579 2.081 0 CA-C-O 118.403 -0.808 . . . . 0.0 113.038 175.569 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 97.97 -9.43 63.68 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 120.305 2.882 . . . . 0.0 120.305 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -87.59 -34.39 18.55 Favored 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 120.481 2.14 . . . . 0.0 113.978 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 138.97 34.76 0.16 Allowed Glycine 0 CA--C 1.551 2.299 0 N-CA-C 116.756 1.462 . . . . 0.0 116.756 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -160.05 142.2 13.11 Favored 'General case' 0 CA--C 1.574 1.898 0 CA-C-N 119.47 1.635 . . . . 0.0 112.233 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 4.4 t -99.95 127.14 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.463 0 C-N-CA 125.167 1.387 . . . . 0.0 110.79 -176.281 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.417 ' H ' ' CD ' ' A' ' 161' ' ' GLU . 70.8 p -100.03 175.28 5.81 Favored 'General case' 0 CA--C 1.568 1.653 0 N-CA-C 116.329 1.974 . . . . 0.0 116.329 -179.212 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -52.64 -50.12 63.8 Favored 'General case' 0 N--CA 1.511 2.588 0 CA-C-O 117.714 -1.136 . . . . 0.0 113.129 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.469 ' HA ' ' CD1' ' A' ' 163' ' ' LEU . 0.0 OUTLIER -63.87 -30.81 71.86 Favored 'General case' 0 CA--C 1.563 1.453 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.417 ' CD ' ' H ' ' A' ' 158' ' ' SER . 0.0 OUTLIER -79.95 -25.21 40.52 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 119.412 1.006 . . . . 0.0 111.605 176.15 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.513 ' CE1' ' HB3' ' A' ' 110' ' ' PHE 0.256 0.0 OUTLIER -65.68 -60.1 3.25 Favored 'General case' 0 CA--C 1.557 1.224 0 CA-C-N 120.504 1.502 . . . . 0.0 109.365 175.426 . . . . . . . . 4 4 . 1 . 005 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.469 ' CD1' ' HA ' ' A' ' 160' ' ' GLN . 0.4 OUTLIER -80.32 -60.04 2.47 Favored 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 178.46 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . 0.451 ' H ' HD11 ' A' ' 163' ' ' LEU . 0.7 OUTLIER -80.08 -19.91 46.39 Favored 'General case' 0 CA--C 1.582 2.191 0 N-CA-C 119.298 3.073 . . . . 0.0 119.298 -178.007 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.254 7.8 tp . . . . . 0 N--CA 1.517 2.899 0 CA-C-N 123.394 2.816 . . . . 0.0 117.595 -176.25 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 . . . . . 0 N--CA 1.507 2.402 0 N-CA-C 119.495 3.146 . . . . 0.0 119.495 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -53.74 -36.07 54.04 Favored Glycine 0 N--CA 1.506 3.365 0 CA-C-N 120.807 1.639 . . . . 0.0 115.764 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -69.05 -59.89 2.73 Favored 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 125.741 1.616 . . . . 0.0 111.428 176.179 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -50.44 -46.77 56.76 Favored 'General case' 0 N--CA 1.506 2.372 0 CA-C-N 120.443 1.474 . . . . 0.0 113.428 176.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.6 tp -65.02 -50.45 66.2 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-O 117.587 -1.197 . . . . 0.0 111.954 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.545 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 6.7 t -57.07 -38.0 72.66 Favored 'General case' 0 N--CA 1.509 2.514 0 CA-C-N 120.523 1.511 . . . . 0.0 113.259 178.039 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.1 t -56.57 -53.19 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 C-N-CA 125.241 1.416 . . . . 0.0 109.696 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.6 OUTLIER -70.7 -36.7 73.39 Favored 'General case' 0 CA--C 1.583 2.212 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 176.616 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.545 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 73.3 p -66.31 -49.55 66.66 Favored 'General case' 0 N--CA 1.509 2.518 0 C-N-CA 124.681 1.193 . . . . 0.0 112.29 177.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -54.09 -30.05 46.95 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.424 ' HZ2' ' CD ' ' A' ' 135' ' ' GLU . 20.8 ttmm -64.05 -35.07 79.52 Favored 'General case' 0 CA--C 1.583 2.227 0 C-N-CA 124.525 1.13 . . . . 0.0 112.921 174.785 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 53.7 mtt -103.42 -174.26 2.51 Favored 'General case' 0 CA--C 1.581 2.136 0 C-N-CA 125.059 1.344 . . . . 0.0 109.357 176.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.8 m -83.72 59.85 5.41 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 119.11 -2.244 . . . . 0.0 115.155 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -143.96 141.79 30.39 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 122.338 1.066 . . . . 0.0 111.441 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.25 -170.82 2.89 Favored 'General case' 0 CA--C 1.579 2.089 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.947 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 74.34 135.57 0.05 Allowed 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 67.0 p -109.85 -137.58 0.37 Allowed 'General case' 0 CA--C 1.584 2.272 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.203 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.344 0.0 OUTLIER 47.7 -86.16 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.512 0 C-N-CA 128.229 2.612 . . . . 0.0 114.779 -176.839 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.437 ' CD ' ' HZ1' ' A' ' 108' ' ' LYS . 4.1 mm-40 -42.97 -27.04 0.16 Allowed 'General case' 0 CA--C 1.595 2.691 0 CA-C-N 123.766 2.985 . . . . 0.0 117.03 172.372 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.22 -30.4 70.31 Favored 'General case' 0 C--N 1.362 1.133 0 CA-C-O 115.253 -2.308 . . . . 0.0 113.872 176.855 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.34 -46.76 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 CA-C-N 125.207 3.639 . . . . 0.0 112.16 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.61 -50.89 32.29 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.437 ' HZ1' ' CD ' ' A' ' 104' ' ' GLU . 57.3 mttp -67.02 -42.39 84.99 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-O 116.931 -1.509 . . . . 0.0 112.653 178.128 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.21 88.38 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-O 115.372 -2.252 . . . . 0.0 112.458 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.433 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.3 t80 -65.29 -47.06 77.94 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-N 122.482 2.401 . . . . 0.0 111.919 177.123 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -65.08 -35.51 81.38 Favored 'General case' 0 CA--C 1.577 2.006 0 CA-C-N 120.363 1.438 . . . . 0.0 112.941 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.7 pp -74.56 -22.81 58.81 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 122.275 2.307 . . . . 0.0 113.145 172.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -39.14 92.53 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 175.308 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.21 63.12 0.98 Allowed 'General case' 0 CA--C 1.587 2.387 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.72 -19.03 0.02 OUTLIER 'General case' 0 CA--C 1.596 2.742 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 173.235 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -79.62 -18.66 51.04 Favored 'General case' 0 CA--C 1.588 2.425 0 CA-C-N 120.452 1.478 . . . . 0.0 111.092 175.707 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 68.43 58.68 0.42 Allowed 'General case' 0 CA--C 1.581 2.162 0 CA-C-O 125.951 2.786 . . . . 0.0 112.097 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 42.5 p -133.6 -26.36 1.61 Allowed 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 111.691 -2.504 . . . . 0.0 112.121 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 84.55 41.7 7.69 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 117.206 1.642 . . . . 0.0 117.206 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.88 130.63 10.81 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.999 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.1 mp -99.85 122.27 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 CA-C-O 123.553 1.645 . . . . 0.0 107.612 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 69.8 p -99.99 165.6 11.46 Favored 'General case' 0 CA--C 1.584 2.287 0 CA-C-N 111.9 -2.409 . . . . 0.0 106.157 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -54.68 -32.37 59.28 Favored 'General case' 0 N--CA 1.511 2.613 0 O-C-N 119.725 -1.86 . . . . 0.0 114.935 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -42.49 98.03 Favored 'General case' 0 CA--C 1.569 1.709 0 O-C-N 121.088 -1.008 . . . . 0.0 112.468 177.277 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -66.87 -35.36 79.86 Favored 'General case' 0 CA--C 1.585 2.319 0 CA-C-N 120.274 1.397 . . . . 0.0 109.002 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.6 mt -52.43 -46.75 66.52 Favored 'General case' 0 N--CA 1.508 2.453 0 CA-C-N 121.427 1.921 . . . . 0.0 110.431 172.585 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -58.58 -47.93 82.64 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 123.781 0.832 . . . . 0.0 112.665 174.151 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 -56.18 -52.23 65.13 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 6.5 t -67.79 -34.48 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.31 0 CA-C-O 118.098 -0.954 . . . . 0.0 111.899 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.38 -53.39 56.75 Favored 'General case' 0 CA--C 1.575 1.912 0 CA-C-N 120.397 1.453 . . . . 0.0 110.135 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -70.05 -42.04 73.42 Favored 'General case' 0 CA--C 1.574 1.897 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -67.39 -20.04 65.49 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.8 mt -68.12 -70.44 0.26 Allowed 'General case' 0 CA--C 1.567 1.596 0 CA-C-N 120.381 1.446 . . . . 0.0 111.309 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 177.6 -47.21 0.1 OUTLIER Glycine 0 N--CA 1.492 2.385 0 N-CA-C 116.694 1.438 . . . . 0.0 116.694 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.424 ' CD ' ' HZ2' ' A' ' 96' ' ' LYS . 0.2 OUTLIER -153.23 120.27 5.77 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 105.058 -2.201 . . . . 0.0 105.058 179.925 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.32 169.46 8.85 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 118.556 2.799 . . . . 0.0 118.556 -176.4 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.37 -115.99 0.06 Allowed 'General case' 0 CA--C 1.569 1.695 0 CA-C-N 111.677 -2.511 . . . . 0.0 109.379 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.8 t -155.81 168.8 26.04 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 122.766 2.53 . . . . 0.0 112.605 -179.238 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -41.02 -53.4 3.0 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 116.727 2.121 . . . . 0.0 116.727 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.5 -41.4 98.79 Favored 'General case' 0 CA--C 1.569 1.707 0 C-N-CA 125.57 1.548 . . . . 0.0 113.741 178.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . 0.253 11.4 tp10 -62.17 -50.84 70.21 Favored 'General case' 0 CA--C 1.581 2.142 0 C-N-CA 123.969 0.908 . . . . 0.0 109.767 175.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 3.1 mp -57.03 -37.58 71.94 Favored 'General case' 0 CA--C 1.563 1.461 0 O-C-N 120.022 -1.674 . . . . 0.0 113.349 172.829 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.25 24.5 tp60 -69.24 -35.86 76.58 Favored 'General case' 0 CA--C 1.562 1.416 0 CA-C-O 116.802 -1.571 . . . . 0.0 110.746 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -65.78 -37.43 86.28 Favored 'General case' 0 CA--C 1.583 2.219 0 CA-C-N 121.008 1.731 . . . . 0.0 109.157 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 36.6 mmt -56.37 -43.92 79.66 Favored 'General case' 0 CA--C 1.586 2.352 0 CA-C-N 120.519 1.508 . . . . 0.0 110.055 172.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 9.1 mm -61.26 -55.59 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 C-N-CA 124.973 1.309 . . . . 0.0 110.202 173.769 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -41.09 28.37 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -79.97 -36.61 35.85 Favored 'General case' 0 CA--C 1.588 2.44 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 176.035 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.81 51.41 Favored 'General case' 0 CA--C 1.577 2.016 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -81.32 56.71 2.97 Favored 'General case' 0 CA--C 1.582 2.178 0 O-C-N 120.123 -1.61 . . . . 0.0 111.589 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -30.2 67.79 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 118.402 2.742 . . . . 0.0 118.402 -177.466 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.63 -34.08 64.83 Favored 'General case' 0 CA--C 1.588 2.436 0 C-N-CA 123.246 0.618 . . . . 0.0 111.133 174.074 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 93.73 50.0 2.41 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 120.442 2.937 . . . . 0.0 120.442 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -130.0 14.34 5.76 Favored 'General case' 0 CA--C 1.593 2.601 0 CA-C-O 117.778 -1.106 . . . . 0.0 113.408 177.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 78.99 15.56 80.41 Favored Glycine 0 N--CA 1.503 3.113 0 CA-C-N 123.923 3.056 . . . . 0.0 117.323 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -159.86 148.86 17.65 Favored 'General case' 0 CA--C 1.571 1.779 0 CA-C-O 123.263 1.506 . . . . 0.0 111.179 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 10.2 t -99.83 119.43 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 75.7 m -99.96 173.5 6.63 Favored 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 122.603 1.192 . . . . 0.0 112.423 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -54.43 -47.65 72.59 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 117.068 -1.444 . . . . 0.0 114.301 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -36.05 72.46 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 122.225 2.284 . . . . 0.0 114.806 176.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.307 6.5 tp10 -76.33 -30.07 57.52 Favored 'General case' 0 CA--C 1.596 2.73 0 CA-C-N 122.611 2.46 . . . . 0.0 110.176 174.685 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.433 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -59.95 -57.09 14.38 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 121.963 2.165 . . . . 0.0 112.272 175.69 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.9 pp -80.18 -45.98 17.14 Favored 'General case' 0 CA--C 1.571 1.778 0 CA-C-O 118.095 -0.955 . . . . 0.0 113.341 178.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -21.2 43.81 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 N--CA 1.518 2.93 0 N-CA-C 118.255 2.687 . . . . 0.0 118.255 -178.971 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.515 2.787 0 N-CA-C 119.282 3.067 . . . . 0.0 119.282 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.402 ' O ' ' OG1' ' A' ' 91' ' ' THR . . . -47.73 -37.33 14.24 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 117.31 1.684 . . . . 0.0 117.31 178.874 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -53.23 59.16 Favored 'General case' 0 CA--C 1.567 1.606 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.471 176.798 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 8.0 t80 -60.54 -43.1 97.56 Favored 'General case' 0 CA--C 1.585 2.301 0 CA-C-N 119.484 1.038 . . . . 0.0 111.783 176.551 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 34.7 tp -62.25 -44.73 95.9 Favored 'General case' 0 CA--C 1.572 1.797 0 C-N-CA 123.687 0.795 . . . . 0.0 112.574 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.402 ' OG1' ' O ' ' A' ' 87' ' ' GLY . 8.2 m -59.09 -42.42 90.43 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 124.03 0.932 . . . . 0.0 112.545 177.02 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.17 -46.36 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 C-N-CA 124.686 1.194 . . . . 0.0 110.965 175.318 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.3 OUTLIER -65.95 -47.26 75.24 Favored 'General case' 0 CA--C 1.578 2.044 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 175.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.756 ' HG1' ' HB2' ' A' ' 101' ' ' ASP . 69.8 p -74.98 -59.95 2.51 Favored 'General case' 0 N--CA 1.501 2.093 0 C-N-CA 124.683 1.193 . . . . 0.0 113.023 -179.678 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -78.75 40.39 0.38 Allowed 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -76.36 -47.27 24.0 Favored 'General case' 0 CA--C 1.572 1.796 0 O-C-N 120.654 -1.278 . . . . 0.0 111.552 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.0 tpt -105.91 -75.43 0.63 Allowed 'General case' 0 CA--C 1.569 1.673 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.8 t -158.85 80.58 0.79 Allowed 'General case' 0 CA--C 1.567 1.629 0 CA-C-N 119.525 1.057 . . . . 0.0 109.955 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -152.45 104.28 2.9 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-O 122.635 1.207 . . . . 0.0 110.259 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 148.44 9.88 Favored 'General case' 0 CA--C 1.575 1.922 0 N-CA-C 121.149 3.759 . . . . 0.0 121.149 -178.561 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.756 ' HB2' ' HG1' ' A' ' 94' ' ' THR . 32.3 t70 -156.24 129.84 8.32 Favored 'General case' 0 CA--C 1.572 1.814 0 C-N-CA 124.216 1.006 . . . . 0.0 108.909 178.046 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 50.8 p -145.81 -73.88 0.23 Allowed 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.583 -0.698 . . . . 0.0 110.811 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.88 -178.97 6.07 Favored 'General case' 0 CA--C 1.579 2.078 0 C-N-CA 124.65 1.18 . . . . 0.0 111.354 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 67.43 -47.37 0.49 Allowed 'General case' 0 N--CA 1.528 3.449 0 CA-C-N 121.428 1.922 . . . . 0.0 112.836 -174.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -62.4 -22.3 66.04 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 116.777 -1.582 . . . . 0.0 113.527 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.7 tt -53.95 -40.03 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.616 0 CA-C-N 122.866 2.575 . . . . 0.0 111.133 172.492 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.407 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 0.2 OUTLIER -69.91 -47.06 63.92 Favored 'General case' 0 CA--C 1.56 1.352 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 179.487 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -68.83 -41.08 79.05 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 117.663 -1.161 . . . . 0.0 112.106 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.56 -43.07 86.02 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-N 121.09 1.768 . . . . 0.0 113.168 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.448 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.5 t80 -69.44 -45.08 69.94 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 120.68 1.582 . . . . 0.0 111.373 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -32.27 73.46 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-N 120.529 1.513 . . . . 0.0 111.9 177.891 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.9 mt -76.41 -20.0 57.56 Favored 'General case' 0 CA--C 1.584 2.255 0 CA-C-N 121.897 2.135 . . . . 0.0 111.944 173.098 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -63.26 -48.34 78.58 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 122.333 2.333 . . . . 0.0 111.301 171.623 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.9 81.65 2.16 Favored 'General case' 0 CA--C 1.591 2.552 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -42.59 -21.05 0.02 OUTLIER 'General case' 0 N--CA 1.538 3.973 0 CA-C-N 122.601 2.455 . . . . 0.0 114.942 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -89.32 -22.16 22.78 Favored 'General case' 0 CA--C 1.577 2.015 0 O-C-N 120.148 -1.595 . . . . 0.0 112.66 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 76.55 15.66 2.11 Favored 'General case' 0 CA--C 1.582 2.176 0 CA-C-N 120.916 1.689 . . . . 0.0 115.06 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.4 t -85.69 -28.37 24.72 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 125.532 1.533 . . . . 0.0 110.929 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 78.55 71.78 1.21 Allowed Glycine 0 C--N 1.362 1.998 0 N-CA-C 118.45 2.14 . . . . 0.0 118.45 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.04 109.93 1.83 Allowed 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 124.263 1.025 . . . . 0.0 109.572 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.5 mp -110.18 131.86 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 CA-C-O 122.933 1.349 . . . . 0.0 109.101 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.0 p -107.99 174.86 5.69 Favored 'General case' 0 CA--C 1.58 2.134 0 CA-C-O 124.246 1.974 . . . . 0.0 107.487 174.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -50.89 -40.7 57.28 Favored 'General case' 0 N--CA 1.509 2.511 0 N-CA-C 117.214 2.302 . . . . 0.0 117.214 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -59.67 -46.01 90.35 Favored 'General case' 0 CA--C 1.58 2.116 0 C-N-CA 124.128 0.971 . . . . 0.0 113.476 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -30.22 68.0 Favored 'General case' 0 N--CA 1.511 2.62 0 O-C-N 120.523 -1.361 . . . . 0.0 109.418 175.086 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 73.2 mt -58.64 -36.81 74.7 Favored 'General case' 0 CA--C 1.6 2.868 0 CA-C-N 122.009 2.186 . . . . 0.0 110.342 171.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -60.69 -45.96 92.17 Favored 'General case' 0 N--CA 1.503 2.191 0 C-N-CA 124.598 1.159 . . . . 0.0 109.828 172.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -54.29 -49.16 70.27 Favored 'General case' 0 N--CA 1.507 2.418 0 CA-C-N 119.517 1.053 . . . . 0.0 113.189 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.98 -45.45 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.999 0 C-N-CA 124.194 0.998 . . . . 0.0 111.561 177.117 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.36 82.18 Favored 'General case' 0 CA--C 1.575 1.938 0 CA-C-N 118.726 0.693 . . . . 0.0 112.449 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -67.73 -52.37 38.41 Favored 'General case' 0 CA--C 1.577 1.981 0 N-CA-C 115.802 1.778 . . . . 0.0 115.802 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -79.98 -19.99 46.54 Favored 'General case' 0 N--CA 1.49 1.552 1 N-CA-C 122.056 4.095 . . . . 0.0 122.056 -174.444 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 14.5 mt -90.44 -87.87 0.18 Allowed 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 116.925 2.195 . . . . 0.0 116.925 -177.074 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -125.23 -37.75 0.52 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 117.605 1.802 . . . . 0.0 117.605 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -157.36 130.65 7.82 Favored 'General case' 0 N--CA 1.502 2.128 0 CA-C-N 119.898 1.849 . . . . 0.0 113.804 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -82.37 103.33 11.86 Favored 'General case' 0 CA--C 1.565 1.534 0 O-C-N 120.932 -1.105 . . . . 0.0 113.76 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -76.12 177.4 7.17 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-O 122.115 0.96 . . . . 0.0 112.992 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.4 t -96.4 157.65 15.8 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 122.887 1.327 . . . . 0.0 110.063 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -41.49 -51.68 3.81 Favored 'General case' 0 CA--C 1.572 1.82 0 N-CA-C 117.39 2.367 . . . . 0.0 117.39 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.65 -47.17 87.44 Favored 'General case' 0 CA--C 1.573 1.838 0 C-N-CA 125.454 1.502 . . . . 0.0 112.668 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -58.11 -52.18 66.64 Favored 'General case' 0 CA--C 1.581 2.146 0 C-N-CA 124.143 0.977 . . . . 0.0 111.883 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.53 -34.39 72.58 Favored 'General case' 0 CA--C 1.569 1.687 0 O-C-N 120.504 -1.372 . . . . 0.0 112.597 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -68.87 -37.25 78.95 Favored 'General case' 0 CA--C 1.565 1.544 0 CA-C-O 117.421 -1.276 . . . . 0.0 110.42 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.8 -36.58 84.36 Favored 'General case' 0 CA--C 1.587 2.391 0 CA-C-N 120.5 1.5 . . . . 0.0 109.371 172.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.7 mmt -59.92 -42.37 93.76 Favored 'General case' 0 CA--C 1.588 2.44 0 O-C-N 119.908 -1.745 . . . . 0.0 110.188 172.469 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.6 mm -59.66 -56.11 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 C-N-CA 124.462 1.105 . . . . 0.0 109.123 173.018 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -41.13 20.48 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -76.17 -48.3 21.01 Favored 'General case' 0 CA--C 1.583 2.237 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.81 -37.78 80.14 Favored 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 117.527 2.417 . . . . 0.0 117.527 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -70.55 53.02 0.14 Allowed 'General case' 0 CA--C 1.589 2.466 0 C-N-CA 126.508 1.923 . . . . 0.0 114.427 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -50.93 -30.1 13.91 Favored 'General case' 0 CA--C 1.573 1.845 0 O-C-N 118.875 -2.391 . . . . 0.0 116.435 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -71.19 -42.93 68.37 Favored 'General case' 0 CA--C 1.586 2.34 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.832 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 119.6 -8.31 12.0 Favored Glycine 0 N--CA 1.496 2.635 1 N-CA-C 124.657 4.623 . . . . 0.0 124.657 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -87.03 -27.47 23.18 Favored 'General case' 0 N--CA 1.506 2.348 0 CA-C-N 122.912 3.356 . . . . 0.0 115.697 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 129.13 26.4 0.91 Allowed Glycine 0 CA--C 1.553 2.42 0 N-CA-C 117.142 1.617 . . . . 0.0 117.142 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -160.01 148.43 17.13 Favored 'General case' 0 CA--C 1.576 1.978 0 CA-C-N 118.816 1.308 . . . . 0.0 108.687 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.7 t -99.87 122.23 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.206 0 O-C-N 120.227 -1.546 . . . . 0.0 109.644 -173.915 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 87.1 p -99.93 171.55 7.78 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-O 122.898 1.333 . . . . 0.0 113.579 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.256 0.0 OUTLIER -54.98 -44.78 74.74 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 117.254 -1.355 . . . . 0.0 113.247 177.178 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.401 ' HA ' ' CD1' ' A' ' 163' ' ' LEU . 0.0 OUTLIER -63.44 -37.05 85.78 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 121.757 2.072 . . . . 0.0 113.001 178.018 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -79.27 -19.88 49.46 Favored 'General case' 0 CA--C 1.58 2.119 0 CA-C-N 121.486 1.948 . . . . 0.0 113.12 175.317 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.0 OUTLIER -66.42 -57.06 8.2 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 121.258 1.844 . . . . 0.0 109.92 174.22 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.401 ' CD1' ' HA ' ' A' ' 160' ' ' GLN . 0.4 OUTLIER -80.13 -56.7 4.04 Favored 'General case' 0 CA--C 1.575 1.911 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -80.12 -19.83 46.42 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 118.726 2.862 . . . . 0.0 118.726 -179.372 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.257 5.9 tp . . . . . 0 N--CA 1.513 2.711 0 N-CA-C 118.141 2.645 . . . . 0.0 118.141 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 . . . . . 0 N--CA 1.504 2.26 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -46.75 -40.49 12.05 Favored Glycine 0 N--CA 1.501 3.015 0 CA-C-N 121.997 2.18 . . . . 0.0 117.044 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -65.31 -51.2 62.18 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 124.799 1.24 . . . . 0.0 110.367 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -59.85 -39.44 85.17 Favored 'General case' 0 N--CA 1.505 2.286 0 C-N-CA 124.355 1.062 . . . . 0.0 111.659 173.835 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.94 -52.8 54.37 Favored 'General case' 0 CA--C 1.562 1.435 0 O-C-N 120.617 -1.302 . . . . 0.0 110.879 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.624 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 6.0 m -56.33 -40.54 74.58 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 119.522 1.056 . . . . 0.0 112.777 176.101 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -45.03 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 C-N-CA 124.576 1.151 . . . . 0.0 112.225 175.739 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.454 ' SD ' ' O ' ' A' ' 135' ' ' GLU . 0.0 OUTLIER -72.57 -44.9 61.45 Favored 'General case' 0 CA--C 1.587 2.383 0 O-C-N 121.707 -0.621 . . . . 0.0 112.435 175.313 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.624 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 40.0 p -57.2 -46.54 82.78 Favored 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 126.511 1.924 . . . . 0.0 114.134 178.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -53.24 -26.66 18.75 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.22 10.11 35.84 Favored 'General case' 0 CA--C 1.58 2.13 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 176.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 21.2 mmt -139.58 -72.34 0.38 Allowed 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 120.917 1.69 . . . . 0.0 112.643 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.8 m -163.5 179.1 7.5 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.581 -1.324 . . . . 0.0 111.665 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 68.36 163.12 0.21 Allowed 'General case' 0 N--CA 1.503 2.217 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.92 -168.58 1.8 Allowed 'General case' 0 CA--C 1.582 2.176 0 O-C-N 120.81 -1.181 . . . . 0.0 111.545 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 40.3 t0 71.45 160.12 0.22 Allowed 'General case' 0 CA--C 1.581 2.138 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 19.5 m -124.37 129.07 50.04 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 124.85 1.26 . . . . 0.0 109.323 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER 100.32 152.84 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.647 0 C-N-CA 129.097 2.959 . . . . 0.0 109.379 -177.552 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 68.72 -58.27 0.49 Allowed 'General case' 0 N--CA 1.536 3.847 0 CA-C-N 123.406 2.821 . . . . 0.0 110.295 -173.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.1 -42.37 28.75 Favored 'General case' 0 CA--C 1.568 1.635 0 C-N-CA 127.962 2.505 . . . . 0.0 112.826 173.74 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.9 tt -61.7 -45.09 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 CA-C-N 118.521 0.6 . . . . 0.0 111.978 177.744 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 5.5 mt -70.56 -41.33 72.6 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 178.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -67.5 -43.88 79.8 Favored 'General case' 0 CA--C 1.567 1.631 0 CA-C-O 117.209 -1.377 . . . . 0.0 111.765 175.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.47 93.38 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 121.648 2.022 . . . . 0.0 114.432 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.476 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 5.1 t80 -69.82 -42.68 73.35 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 120.058 1.299 . . . . 0.0 111.77 176.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -63.9 -37.73 88.46 Favored 'General case' 0 CA--C 1.578 2.039 0 CA-C-O 116.998 -1.477 . . . . 0.0 110.803 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.25 -29.16 67.01 Favored 'General case' 0 CA--C 1.581 2.148 0 CA-C-N 122.26 2.3 . . . . 0.0 112.068 173.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -39.8 70.48 Favored 'General case' 0 CA--C 1.583 2.215 0 C-N-CA 124.627 1.171 . . . . 0.0 112.589 173.085 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -99.37 80.74 2.44 Favored 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -15.99 0.58 Allowed 'General case' 0 N--CA 1.513 2.721 0 CA-C-N 123.785 2.993 . . . . 0.0 116.901 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -85.55 3.01 42.49 Favored 'General case' 0 CA--C 1.591 2.548 0 CA-C-N 121.997 2.18 . . . . 0.0 111.252 175.264 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.262 35.1 tt0 69.3 -1.45 2.17 Favored 'General case' 0 N--CA 1.505 2.297 0 N-CA-C 118.599 2.814 . . . . 0.0 118.599 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.7 p -68.16 -42.36 80.17 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.498 1.519 . . . . 0.0 110.755 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.87 69.18 1.32 Allowed Glycine 0 C--N 1.348 1.209 0 CA-C-O 118.762 -1.021 . . . . 0.0 115.348 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.43 109.94 6.63 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 118.062 0.931 . . . . 0.0 110.87 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.9 mp -116.39 133.24 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 CA-C-O 122.834 1.302 . . . . 0.0 108.987 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.6 p -112.16 167.87 10.06 Favored 'General case' 0 CA--C 1.578 2.055 0 CA-C-N 113.736 -1.575 . . . . 0.0 107.917 173.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.47 -43.48 45.12 Favored 'General case' 0 N--CA 1.522 3.161 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -54.54 -43.68 72.18 Favored 'General case' 0 CA--C 1.575 1.941 0 CA-C-N 114.134 -1.394 . . . . 0.0 113.436 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -69.53 -34.65 74.56 Favored 'General case' 0 CA--C 1.586 2.345 0 CA-C-O 117.253 -1.356 . . . . 0.0 109.239 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 76.2 mt -53.52 -44.92 69.51 Favored 'General case' 0 N--CA 1.51 2.548 0 CA-C-N 122.262 2.301 . . . . 0.0 110.021 171.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -56.58 -49.76 73.94 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 119.565 1.075 . . . . 0.0 111.328 173.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -56.87 -52.0 66.84 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 119.01 -0.519 . . . . 0.0 111.766 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.57 -32.37 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.537 0 C-N-CA 124.142 0.977 . . . . 0.0 112.898 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.39 -55.56 33.5 Favored 'General case' 0 CA--C 1.565 1.549 0 CA-C-O 118.153 -0.927 . . . . 0.0 109.742 174.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . 0.429 ' HZ2' ' CD ' ' A' ' 132' ' ' GLU . 0.0 OUTLIER -72.51 -22.85 60.97 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-N 119.984 1.265 . . . . 0.0 114.394 175.636 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.429 ' CD ' ' HZ2' ' A' ' 131' ' ' LYS . 0.6 OUTLIER -79.62 -32.44 41.77 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 178.849 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.0 mt -70.73 -77.98 0.08 Allowed 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 119.992 1.269 . . . . 0.0 112.967 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 178.96 -37.59 0.08 OUTLIER Glycine 0 N--CA 1.491 2.353 0 N-CA-C 120.191 2.836 . . . . 0.0 120.191 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.454 ' O ' ' SD ' ' A' ' 93' ' ' MET . 35.1 tt0 -144.5 95.57 2.73 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 119.273 1.537 . . . . 0.0 109.17 -178.869 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -105.88 169.4 8.51 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 117.857 2.54 . . . . 0.0 117.857 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.58 -122.76 0.11 Allowed 'General case' 0 CA--C 1.575 1.914 0 CA-C-N 113.704 -1.589 . . . . 0.0 110.496 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.8 t -141.53 170.53 15.55 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-O 124.627 2.156 . . . . 0.0 108.639 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -40.04 -54.15 2.29 Favored 'General case' 0 CA--C 1.577 2.016 0 CA-C-N 112.113 -2.312 . . . . 0.0 116.232 176.139 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.44 -43.85 93.05 Favored 'General case' 0 CA--C 1.572 1.794 0 C-N-CA 125.961 1.705 . . . . 0.0 113.011 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -60.17 -49.84 76.06 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-N 118.704 0.684 . . . . 0.0 110.488 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.8 mp -56.88 -41.0 77.26 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 120.363 1.438 . . . . 0.0 113.433 174.142 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 6.2 tp60 -64.68 -34.6 78.68 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-N 119.747 1.158 . . . . 0.0 110.915 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.36 -39.29 93.59 Favored 'General case' 0 CA--C 1.588 2.43 0 CA-C-N 120.537 1.517 . . . . 0.0 109.694 171.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.0 mmt -59.3 -35.09 73.13 Favored 'General case' 0 CA--C 1.581 2.135 0 O-C-N 120.915 -1.115 . . . . 0.0 111.282 173.413 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 9.7 mm -66.81 -58.8 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 CA-C-O 117.185 -1.388 . . . . 0.0 108.195 173.366 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -51.31 -48.24 62.38 Favored 'General case' 0 N--CA 1.504 2.259 0 CA-C-N 120.173 1.351 . . . . 0.0 112.238 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -60.58 -39.08 86.74 Favored 'General case' 0 CA--C 1.589 2.461 0 CA-C-N 120.38 1.445 . . . . 0.0 113.286 174.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -71.22 -47.09 59.35 Favored 'General case' 0 CA--C 1.583 2.238 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.94 35.3 0.13 Allowed 'General case' 0 CA--C 1.575 1.906 0 N-CA-C 117.255 2.317 . . . . 0.0 117.255 -178.858 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -30.33 60.16 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 118.659 2.837 . . . . 0.0 118.659 -175.636 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.94 39.72 3.9 Favored 'General case' 0 CA--C 1.589 2.48 0 C-N-CA 123.816 0.846 . . . . 0.0 109.389 173.354 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -127.89 -91.07 0.7 Allowed Glycine 0 C--N 1.371 2.524 0 CA-C-O 116.804 -2.109 . . . . 0.0 110.913 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 21.2 t70 168.16 -48.6 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.488 0 CA-C-N 120.055 1.928 . . . . 0.0 110.953 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -169.1 10.76 0.05 OUTLIER Glycine 0 CA--C 1.562 2.983 0 N-CA-C 119.447 2.539 . . . . 0.0 119.447 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -155.74 139.8 16.42 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 103.352 -2.832 . . . . 0.0 103.352 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.73 122.22 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 120.344 -1.472 . . . . 0.0 113.14 -169.794 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 158' ' ' SER . . . . . 0.455 ' H ' ' CD ' ' A' ' 161' ' ' GLU . 8.9 t -100.01 167.32 10.56 Favored 'General case' 0 CA--C 1.57 1.729 0 CA-C-O 123.194 1.473 . . . . 0.0 108.714 176.019 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.307 9.0 pt-20 -53.87 -39.18 65.47 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 116.059 -1.924 . . . . 0.0 116.034 -177.35 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.82 -46.33 89.94 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-N 123.63 2.923 . . . . 0.0 114.263 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . 0.455 ' CD ' ' H ' ' A' ' 158' ' ' SER . 10.4 pm0 -70.12 -23.1 62.97 Favored 'General case' 0 CA--C 1.579 2.065 0 CA-C-N 122.246 2.294 . . . . 0.0 112.552 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.476 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -65.89 -57.65 7.4 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.444 1.498 . . . . 0.0 113.577 175.694 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.8 pp -80.01 -35.26 37.59 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 9.1 mtp-105 -75.96 -58.37 3.32 Favored 'General case' 0 CA--C 1.566 1.594 0 CA-C-N 121.392 1.905 . . . . 0.0 111.583 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.262 9.5 tp . . . . . 0 N--CA 1.51 2.556 0 N-CA-C 118.371 2.73 . . . . 0.0 118.371 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 N--CA 1.515 2.792 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -48.88 -43.57 30.73 Favored Glycine 0 N--CA 1.5 2.963 0 CA-C-N 121.121 1.782 . . . . 0.0 115.968 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.3 -46.93 88.27 Favored 'General case' 0 CA--C 1.581 2.165 0 C-N-CA 124.314 1.046 . . . . 0.0 111.371 175.128 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -58.31 -37.38 74.97 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.75 -1.219 . . . . 0.0 112.208 173.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.12 -53.54 36.59 Favored 'General case' 0 CA--C 1.566 1.587 0 C-N-CA 124.496 1.118 . . . . 0.0 110.443 175.32 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.0 m -54.85 -42.75 72.37 Favored 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.29 -44.34 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 C-N-CA 125.533 1.533 . . . . 0.0 112.259 175.707 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.402 ' HG2' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -66.2 -43.5 86.59 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.804 1.241 . . . . 0.0 114.34 177.482 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.516 ' C ' ' H ' ' A' ' 96' ' ' LYS . 70.8 p -68.71 -57.64 5.37 Favored 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 173.796 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.76 -12.0 0.08 Allowed 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -177.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.516 ' H ' ' C ' ' A' ' 94' ' ' THR . 5.4 mptt -139.35 89.51 2.34 Favored 'General case' 0 CA--C 1.56 1.342 0 N-CA-C 104.894 -2.261 . . . . 0.0 104.894 -178.554 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . 0.256 1.9 ptp 89.32 116.64 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 126.25 1.82 . . . . 0.0 107.254 -176.736 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 t -69.28 -44.04 72.65 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 117.544 2.424 . . . . 0.0 117.544 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . 0.258 5.4 pt-20 59.88 -49.27 0.08 Allowed 'General case' 0 N--CA 1.508 2.462 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 -178.233 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -114.17 149.8 35.16 Favored 'General case' 0 CA--C 1.574 1.871 0 C-N-CA 125.179 1.392 . . . . 0.0 108.755 177.177 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -98.89 -101.2 0.22 Allowed 'General case' 0 CA--C 1.575 1.926 0 O-C-N 121.154 -0.967 . . . . 0.0 109.175 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.8 t -166.89 39.19 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.408 0 C-N-CA 126.002 1.721 . . . . 0.0 111.613 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.48 147.5 23.47 Favored 'General case' 0 CA--C 1.584 2.272 0 CA-C-O 115.506 -2.188 . . . . 0.0 111.911 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.3 -61.6 0.23 Allowed 'General case' 0 N--CA 1.535 3.815 0 CA-C-N 125.523 3.783 . . . . 0.0 111.415 -175.277 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -51.43 -30.77 20.55 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 128.416 2.686 . . . . 0.0 112.198 173.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.8 tt -55.26 -41.2 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.61 0 CA-C-N 121.94 2.154 . . . . 0.0 110.844 172.755 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.41 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 2.7 mp -68.27 -45.44 73.12 Favored 'General case' 0 CA--C 1.561 1.38 0 CA-C-O 118.937 -0.554 . . . . 0.0 112.255 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -46.32 81.29 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-O 117.854 -1.069 . . . . 0.0 111.202 174.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.5 -45.94 90.25 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 120.618 1.554 . . . . 0.0 114.231 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.412 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.1 t80 -67.53 -45.39 75.85 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 120.559 1.527 . . . . 0.0 111.375 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -33.4 75.81 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-O 116.857 -1.544 . . . . 0.0 113.343 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.2 pp -74.57 -28.66 61.03 Favored 'General case' 0 CA--C 1.573 1.844 0 CA-C-N 122.16 2.254 . . . . 0.0 111.55 171.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.64 -38.98 72.9 Favored 'General case' 0 CA--C 1.57 1.735 0 CA-C-N 119.381 0.992 . . . . 0.0 112.945 172.668 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -73.51 60.01 0.63 Allowed 'General case' 0 CA--C 1.584 2.256 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -56.52 -15.95 5.17 Favored 'General case' 0 CA--C 1.608 3.207 0 O-C-N 118.802 -2.436 . . . . 0.0 113.322 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -87.36 -17.1 33.13 Favored 'General case' 0 CA--C 1.576 1.956 0 C-N-CA 127.027 2.131 . . . . 0.0 113.858 176.24 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 68.98 18.81 8.35 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 72.7 p -84.5 -39.65 18.6 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 126.059 1.744 . . . . 0.0 110.92 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.42 43.29 6.24 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 116.366 1.306 . . . . 0.0 116.366 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.14 119.31 5.89 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-N 117.941 0.87 . . . . 0.0 110.419 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.1 mp -99.97 120.81 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 N-CA-C 105.111 -2.181 . . . . 0.0 105.111 177.056 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 59.6 p -99.96 163.25 12.52 Favored 'General case' 0 CA--C 1.583 2.237 0 CA-C-N 111.66 -2.518 . . . . 0.0 107.277 175.006 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -52.73 -39.26 61.94 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 119.888 -1.757 . . . . 0.0 115.198 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.6 -39.78 94.85 Favored 'General case' 0 CA--C 1.581 2.154 0 O-C-N 121.015 -1.053 . . . . 0.0 112.235 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.46 -35.97 81.61 Favored 'General case' 0 CA--C 1.581 2.149 0 O-C-N 120.455 -1.403 . . . . 0.0 109.222 174.096 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.5 mt -52.26 -45.78 65.56 Favored 'General case' 0 N--CA 1.503 2.22 0 CA-C-N 120.855 1.662 . . . . 0.0 110.03 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -56.84 -48.73 77.37 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.511 1.124 . . . . 0.0 111.502 173.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -52.62 -55.11 24.72 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-N 119.401 1.001 . . . . 0.0 111.904 175.935 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 33.1 t -67.18 -37.28 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.259 0 CA-C-O 118.584 -0.722 . . . . 0.0 112.733 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.08 82.63 Favored 'General case' 0 CA--C 1.568 1.668 0 CA-C-N 119.88 1.218 . . . . 0.0 113.544 176.083 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -27.25 40.72 Favored 'General case' 0 CA--C 1.578 2.026 0 CA-C-O 117.841 -1.076 . . . . 0.0 113.526 175.004 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.11 -26.38 39.54 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.402 ' CD1' ' HG2' ' A' ' 93' ' ' MET . 10.3 mt -64.07 -73.56 0.12 Allowed 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -179.09 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -173.58 -39.78 0.04 OUTLIER Glycine 0 N--CA 1.49 2.243 0 N-CA-C 117.853 1.901 . . . . 0.0 117.853 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -142.65 104.29 4.35 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 119.348 1.574 . . . . 0.0 107.808 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -69.96 136.92 51.02 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.593 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.4 tp -95.39 -114.75 0.12 Allowed 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 118.079 -0.963 . . . . 0.0 109.161 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 14.9 t -152.28 158.2 42.45 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 121.735 2.061 . . . . 0.0 111.958 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -49.11 -45.66 43.72 Favored 'General case' 0 N--CA 1.512 2.675 0 CA-C-N 113.768 -1.56 . . . . 0.0 113.897 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.8 -46.69 88.45 Favored 'General case' 0 CA--C 1.578 2.032 0 C-N-CA 124.842 1.257 . . . . 0.0 113.326 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -57.52 -50.24 73.72 Favored 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 123.964 0.906 . . . . 0.0 112.213 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 11.3 mt -56.86 -40.65 76.54 Favored 'General case' 0 CA--C 1.574 1.883 0 C-N-CA 124.063 0.945 . . . . 0.0 112.195 175.138 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.486 HE22 ' CG2' ' A' ' 146' ' ' ILE 0.257 0.6 OUTLIER -67.89 -36.54 80.39 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-O 117.027 -1.464 . . . . 0.0 111.728 179.023 . . . . . . . . 4 4 . 1 . 009 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -62.69 -37.57 86.99 Favored 'General case' 0 CA--C 1.586 2.349 0 CA-C-N 121.578 1.99 . . . . 0.0 109.647 172.702 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.7 ttp -56.02 -44.92 79.18 Favored 'General case' 0 CA--C 1.587 2.383 0 O-C-N 120.237 -1.539 . . . . 0.0 111.164 172.65 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.486 ' CG2' HE22 ' A' ' 143' ' ' GLN . 24.4 mm -60.45 -55.0 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 C-N-CA 124.683 1.193 . . . . 0.0 109.658 173.332 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.36 -41.64 29.27 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -70.65 -43.32 69.43 Favored 'General case' 0 CA--C 1.588 2.439 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.44 -27.64 56.29 Favored 'General case' 0 CA--C 1.574 1.898 0 N-CA-C 119.852 3.278 . . . . 0.0 119.852 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.302 28.0 t70 -87.27 29.24 0.86 Allowed 'General case' 0 CA--C 1.581 2.147 0 N-CA-C 117.279 2.325 . . . . 0.0 117.279 -177.869 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -40.12 58.84 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 119.15 3.019 . . . . 0.0 119.15 -176.171 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.27 8.93 36.03 Favored 'General case' 0 CA--C 1.585 2.292 0 CA-C-O 116.69 -1.624 . . . . 0.0 113.747 178.139 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -143.06 -151.51 5.5 Favored Glycine 0 CA--C 1.571 3.567 0 CA-C-N 124.291 3.223 . . . . 0.0 112.938 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -123.8 -2.45 8.3 Favored 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 172.23 21.52 0.02 OUTLIER Glycine 0 N--CA 1.497 2.727 0 CA-C-N 123.183 2.719 . . . . 0.0 118.414 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -159.91 150.13 18.6 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 119.52 1.66 . . . . 0.0 109.709 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 4.0 t -99.86 122.21 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 120.795 -1.191 . . . . 0.0 107.818 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 83.6 p -99.94 173.37 6.7 Favored 'General case' 0 CA--C 1.559 1.29 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.62 -46.48 63.62 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -41.54 93.3 Favored 'General case' 0 CA--C 1.576 1.975 0 CA-C-N 120.346 1.43 . . . . 0.0 112.606 174.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -74.24 -19.91 60.35 Favored 'General case' 0 N--CA 1.509 2.476 0 CA-C-N 121.709 2.05 . . . . 0.0 113.822 176.17 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.412 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 1.2 t80 -66.82 -56.11 11.88 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 125.919 1.688 . . . . 0.0 109.432 173.803 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -80.06 -51.83 8.54 Favored 'General case' 0 CA--C 1.579 2.08 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 177.64 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -79.95 -27.96 39.72 Favored 'General case' 0 CA--C 1.589 2.469 0 N-CA-C 118.123 2.638 . . . . 0.0 118.123 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.25 8.0 tp . . . . . 0 N--CA 1.518 2.93 0 C-N-CA 129.64 3.176 . . . . 0.0 119.509 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.7 m-30 . . . . . 0 N--CA 1.497 1.876 0 CA-C-O 117.477 -1.249 . . . . 0.0 113.605 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.416 ' O ' ' OG1' ' A' ' 91' ' ' THR . . . -57.43 -40.44 92.15 Favored Glycine 0 N--CA 1.497 2.752 0 CA-C-N 120.975 1.716 . . . . 0.0 113.178 174.188 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.35 -51.92 65.68 Favored 'General case' 0 CA--C 1.581 2.153 0 C-N-CA 124.066 0.946 . . . . 0.0 111.089 175.326 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -56.52 -46.0 80.82 Favored 'General case' 0 CA--C 1.587 2.381 0 O-C-N 121.002 -1.061 . . . . 0.0 112.108 174.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 36.6 tp -62.67 -48.92 77.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.777 -1.202 . . . . 0.0 111.46 175.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.652 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 3.1 m -58.79 -39.45 81.13 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 123.795 0.838 . . . . 0.0 112.049 176.534 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.23 -48.8 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 C-N-CA 124.659 1.184 . . . . 0.0 111.38 175.798 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -72.87 -41.31 64.85 Favored 'General case' 0 CA--C 1.586 2.353 0 CA-C-N 118.895 0.77 . . . . 0.0 112.156 175.081 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.652 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 55.3 p -62.2 -45.56 92.81 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 125.035 1.334 . . . . 0.0 113.649 178.473 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -50.01 -36.18 27.58 Favored 'General case' 0 N--CA 1.503 2.198 0 CA-C-N 121.249 1.84 . . . . 0.0 115.091 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.32 -10.09 28.62 Favored 'General case' 0 CA--C 1.58 2.102 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 176.652 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 12.7 tpt -143.34 63.56 1.36 Allowed 'General case' 0 CA--C 1.579 2.062 0 CA-C-N 121.343 1.883 . . . . 0.0 113.186 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.9 t 58.14 177.4 0.06 Allowed 'General case' 0 N--CA 1.505 2.305 0 N-CA-C 118.948 2.944 . . . . 0.0 118.948 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.59 176.12 0.22 Allowed 'General case' 0 N--CA 1.505 2.293 0 C-N-CA 126.356 1.862 . . . . 0.0 114.897 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.13 162.7 33.53 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.585 ' CG ' ' HG1' ' A' ' 91' ' ' THR . 3.8 m-20 -126.58 -141.83 0.28 Allowed 'General case' 0 CA--C 1.584 2.253 0 O-C-N 121.248 -0.908 . . . . 0.0 111.849 179.969 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.441 ' OG1' ' O ' ' A' ' 101' ' ' ASP . 44.3 p 86.08 96.37 0.03 OUTLIER 'General case' 0 N--CA 1.507 2.404 0 C-N-CA 126.858 2.063 . . . . 0.0 112.111 179.57 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.259 0.0 OUTLIER 47.73 163.82 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 119.098 2.999 . . . . 0.0 119.098 179.783 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.271 1.5 pt-20 66.92 -44.16 0.44 Allowed 'General case' 0 N--CA 1.533 3.705 0 CA-C-N 123.137 2.698 . . . . 0.0 112.626 -172.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -34.38 52.06 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 126.263 1.825 . . . . 0.0 112.575 173.482 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.0 tp -58.04 -48.81 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-N 121.206 1.821 . . . . 0.0 109.848 174.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -67.41 -43.5 81.1 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 117.931 -1.033 . . . . 0.0 113.604 177.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -66.79 -45.97 76.74 Favored 'General case' 0 CA--C 1.562 1.419 0 CA-C-O 116.688 -1.625 . . . . 0.0 112.591 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.52 88.27 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 122.252 2.297 . . . . 0.0 114.862 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.49 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 16.1 t80 -70.67 -45.62 64.74 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 117.167 -1.397 . . . . 0.0 111.873 177.659 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -66.68 -33.35 75.44 Favored 'General case' 0 CA--C 1.576 1.964 0 CA-C-O 116.52 -1.705 . . . . 0.0 111.925 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.03 -33.76 75.19 Favored 'General case' 0 CA--C 1.579 2.071 0 CA-C-N 123.204 2.729 . . . . 0.0 110.998 172.57 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.24 -44.76 88.43 Favored 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -91.84 61.44 4.13 Favored 'General case' 0 CA--C 1.596 2.714 0 CA-C-N 118.793 0.724 . . . . 0.0 111.939 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -52.91 -17.39 1.38 Allowed 'General case' 0 N--CA 1.515 2.795 0 O-C-N 118.285 -2.76 . . . . 0.0 117.066 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -88.51 -5.87 57.95 Favored 'General case' 0 CA--C 1.583 2.249 0 CA-C-N 121.797 2.09 . . . . 0.0 111.552 175.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 68.59 55.82 0.47 Allowed 'General case' 0 CA--C 1.586 2.347 0 CA-C-O 125.941 2.781 . . . . 0.0 114.143 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 72.5 p -117.69 -42.34 2.86 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 111.839 -2.437 . . . . 0.0 109.77 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 77.31 49.59 7.3 Favored Glycine 0 N--CA 1.48 1.595 0 N-CA-C 117.158 1.623 . . . . 0.0 117.158 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.8 109.98 5.63 Favored 'General case' 0 CA--C 1.569 1.71 0 CA-C-N 118.926 1.363 . . . . 0.0 110.229 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.5 mp -110.49 127.57 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.8 p -99.95 166.75 10.9 Favored 'General case' 0 CA--C 1.58 2.118 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.727 176.202 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -50.74 -38.3 46.85 Favored 'General case' 0 N--CA 1.514 2.762 0 O-C-N 120.325 -1.484 . . . . 0.0 114.697 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -48.61 80.87 Favored 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 124.127 0.971 . . . . 0.0 112.765 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -30.19 69.17 Favored 'General case' 0 CA--C 1.59 2.494 0 O-C-N 121.558 -0.714 . . . . 0.0 110.816 176.805 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.63 -43.88 98.03 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 120.919 1.691 . . . . 0.0 110.732 173.446 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.324 11.8 ptpt -67.64 -32.96 74.01 Favored 'General case' 0 CA--C 1.584 2.25 0 CA-C-N 121.696 2.043 . . . . 0.0 110.403 175.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 64.4 mmt-85 -56.28 -53.56 55.74 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-N 120.953 1.706 . . . . 0.0 109.812 171.668 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . 0.319 0.7 OUTLIER -65.71 -32.23 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 CA-C-N 119.207 0.912 . . . . 0.0 111.772 179.052 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.34 -42.62 66.94 Favored 'General case' 0 CA--C 1.574 1.889 0 O-C-N 120.33 -1.481 . . . . 0.0 111.556 173.616 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -64.81 -46.5 81.77 Favored 'General case' 0 CA--C 1.589 2.471 0 CA-C-N 118.389 0.541 . . . . 0.0 111.053 171.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -74.56 -31.93 62.25 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 120.459 3.503 . . . . 0.0 120.459 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 15.5 mt -55.07 -70.39 0.11 Allowed 'General case' 0 N--CA 1.49 1.531 0 CA-C-N 121.047 1.749 . . . . 0.0 115.641 -179.542 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -157.11 -49.13 0.01 OUTLIER Glycine 0 CA--C 1.546 2.029 0 CA-C-N 113.018 -1.901 . . . . 0.0 114.866 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.71 143.02 26.17 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 120.024 1.912 . . . . 0.0 110.014 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -81.55 113.31 19.49 Favored 'General case' 0 CA--C 1.562 1.426 0 O-C-N 120.407 -1.433 . . . . 0.0 110.576 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.25 10.9 tp -86.12 -113.52 0.04 OUTLIER 'General case' 0 CA--C 1.57 1.716 0 CA-C-O 117.493 -1.241 . . . . 0.0 108.948 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.7 t -152.34 158.14 42.31 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 122.789 2.54 . . . . 0.0 110.47 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -40.94 -49.41 3.25 Favored 'General case' 0 CA--C 1.567 1.631 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.0 -42.91 97.03 Favored 'General case' 0 CA--C 1.575 1.914 0 C-N-CA 125.67 1.588 . . . . 0.0 112.481 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.19 -54.34 48.05 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 123.84 0.856 . . . . 0.0 110.414 174.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.2 mt -56.48 -35.38 67.9 Favored 'General case' 0 CA--C 1.571 1.788 0 O-C-N 121.046 -1.034 . . . . 0.0 112.684 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 23.6 tp60 -70.52 -36.71 73.91 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.319 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -62.83 -39.6 94.83 Favored 'General case' 0 CA--C 1.586 2.345 0 CA-C-N 120.391 1.45 . . . . 0.0 109.722 173.472 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -36.62 83.87 Favored 'General case' 0 CA--C 1.589 2.468 0 CA-C-N 119.216 0.916 . . . . 0.0 111.306 173.147 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.69 -54.2 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 119.86 -1.775 . . . . 0.0 109.812 173.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -55.15 -40.13 70.28 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -67.19 -39.1 86.33 Favored 'General case' 0 CA--C 1.593 2.612 0 CA-C-N 119.965 1.257 . . . . 0.0 112.201 172.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.41 -41.63 47.08 Favored 'General case' 0 CA--C 1.579 2.087 0 N-CA-C 119.662 3.208 . . . . 0.0 119.662 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -73.09 54.04 0.38 Allowed 'General case' 0 CA--C 1.584 2.286 0 C-N-CA 127.107 2.163 . . . . 0.0 115.823 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.286 0.1 OUTLIER -52.59 -27.53 17.25 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 119.433 3.124 . . . . 0.0 119.433 -178.46 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -79.76 -40.73 28.1 Favored 'General case' 0 CA--C 1.587 2.377 0 CA-C-O 117.69 -1.148 . . . . 0.0 109.636 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 115.54 136.0 5.89 Favored Glycine 0 CA--C 1.559 2.788 0 N-CA-C 118.673 2.229 . . . . 0.0 118.673 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . 0.266 17.1 t70 126.19 -62.22 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.532 0 C-N-CA 127.82 2.448 . . . . 0.0 109.721 177.222 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 154.7 39.6 0.02 OUTLIER Glycine 0 N--CA 1.488 2.157 0 N-CA-C 118.814 2.285 . . . . 0.0 118.814 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -153.63 138.6 17.23 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 123.134 1.445 . . . . 0.0 109.722 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.79 123.39 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.847 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 70.1 m -99.9 171.58 7.77 Favored 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 121.64 0.733 . . . . 0.0 112.548 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.46 -49.99 66.25 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 179.094 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.441 ' HA ' HD13 ' A' ' 163' ' ' LEU . 7.1 pt20 -60.04 -34.74 73.8 Favored 'General case' 0 CA--C 1.576 1.96 0 CA-C-N 120.441 1.473 . . . . 0.0 114.282 176.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.4 -22.22 44.6 Favored 'General case' 0 N--CA 1.503 2.212 0 CA-C-N 120.275 1.398 . . . . 0.0 112.073 175.251 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.49 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -65.13 -56.71 11.39 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 125.98 1.712 . . . . 0.0 110.327 175.319 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.441 HD13 ' HA ' ' A' ' 160' ' ' GLN . 0.3 OUTLIER -80.06 -52.01 8.33 Favored 'General case' 0 CA--C 1.577 2.011 0 CA-C-O 118.238 -0.887 . . . . 0.0 112.195 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -80.1 -33.61 38.64 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 118.123 2.638 . . . . 0.0 118.123 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.262 5.6 tp . . . . . 0 N--CA 1.517 2.898 0 N-CA-C 118.821 2.897 . . . . 0.0 118.821 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.512 2.637 0 N-CA-C 119.748 3.24 . . . . 0.0 119.748 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.63 -37.84 42.67 Favored Glycine 0 N--CA 1.499 2.881 0 C-N-CA 125.19 1.376 . . . . 0.0 114.407 176.126 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -53.84 -58.32 7.68 Favored 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 126.154 1.782 . . . . 0.0 111.193 172.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -57.76 -43.67 85.6 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 120.816 1.644 . . . . 0.0 111.171 175.275 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.1 tp -60.33 -50.8 72.2 Favored 'General case' 0 CA--C 1.565 1.541 0 O-C-N 121.128 -0.982 . . . . 0.0 111.796 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.8 m -59.62 -41.57 90.69 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-N 119.207 0.912 . . . . 0.0 112.725 176.265 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.99 -47.13 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 C-N-CA 124.614 1.166 . . . . 0.0 112.515 176.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 18.4 tpp -78.27 -41.48 33.86 Favored 'General case' 0 CA--C 1.572 1.8 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 177.635 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.0 p -74.79 -48.69 24.02 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -59.14 -27.29 65.49 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 117.581 2.438 . . . . 0.0 117.581 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -64.8 -37.67 88.41 Favored 'General case' 0 N--CA 1.505 2.31 0 CA-C-N 121.288 1.858 . . . . 0.0 112.218 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.8 tpt -120.02 -105.62 0.38 Allowed 'General case' 0 CA--C 1.574 1.882 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.8 p -171.8 116.82 0.39 Allowed 'General case' 0 N--CA 1.496 1.86 0 CA-C-N 121.03 1.741 . . . . 0.0 111.35 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -149.58 -86.66 0.08 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.139 -0.976 . . . . 0.0 109.439 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -113.52 154.19 27.49 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-N 120.654 1.57 . . . . 0.0 112.249 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -97.55 -104.09 0.19 Allowed 'General case' 0 CA--C 1.577 1.988 0 O-C-N 121.775 -0.578 . . . . 0.0 112.34 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.3 m -154.41 156.92 37.7 Favored 'General case' 0 N--CA 1.501 2.119 0 CA-C-N 120.62 1.555 . . . . 0.0 111.849 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . 0.528 ' HD2' ' H ' ' A' ' 104' ' ' GLU . 0.1 OUTLIER 76.31 153.11 0.14 Allowed 'General case' 0 N--CA 1.51 2.544 0 C-N-CA 126.213 1.805 . . . . 0.0 111.105 -178.877 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . 0.528 ' H ' ' HD2' ' A' ' 103' ' ' LYS . 12.8 tp10 69.93 -63.81 0.38 Allowed 'General case' 0 N--CA 1.524 3.228 0 CA-C-N 123.222 2.737 . . . . 0.0 112.529 -176.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -67.45 -20.0 65.44 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-O 116.514 -1.708 . . . . 0.0 113.007 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -46.68 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 CA-C-N 123.395 2.816 . . . . 0.0 110.18 174.271 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -42.65 68.08 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.268 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -44.06 79.29 Favored 'General case' 0 CA--C 1.566 1.588 0 CA-C-O 116.936 -1.507 . . . . 0.0 111.705 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.94 78.96 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 122.104 2.229 . . . . 0.0 112.929 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.448 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 6.6 t80 -65.0 -41.71 95.15 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 121.309 1.868 . . . . 0.0 112.618 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.42 ' HZ2' ' CD ' ' A' ' 117' ' ' GLU . 8.0 mmmm -65.47 -38.24 89.19 Favored 'General case' 0 CA--C 1.576 1.975 0 CA-C-O 116.882 -1.532 . . . . 0.0 111.783 179.316 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.3 pp -72.83 -29.87 63.58 Favored 'General case' 0 CA--C 1.576 1.97 0 CA-C-N 122.177 2.262 . . . . 0.0 112.388 173.272 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.4 -42.72 70.78 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 124.992 1.317 . . . . 0.0 112.961 173.428 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -87.07 80.38 8.38 Favored 'General case' 0 CA--C 1.59 2.485 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.053 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -49.9 -17.46 0.38 Allowed 'General case' 0 CA--C 1.596 2.741 0 N-CA-C 117.484 2.402 . . . . 0.0 117.484 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -103.67 8.92 37.43 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-N 120.813 1.642 . . . . 0.0 112.622 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.42 ' CD ' ' HZ2' ' A' ' 111' ' ' LYS . 54.4 tp10 69.34 -11.62 0.47 Allowed 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 119.338 3.088 . . . . 0.0 119.338 177.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.6 t -65.87 -18.37 65.29 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 116.504 2.039 . . . . 0.0 116.504 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 67.46 62.57 4.28 Favored Glycine 0 CA--C 1.541 1.661 0 N-CA-C 119.637 2.615 . . . . 0.0 119.637 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -147.78 109.9 4.55 Favored 'General case' 0 CA--C 1.566 1.577 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 177.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.5 mp -101.64 129.05 53.44 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.688 0 O-C-N 120.997 -1.065 . . . . 0.0 109.731 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.0 p -104.53 171.74 7.17 Favored 'General case' 0 CA--C 1.579 2.091 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.421 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -56.18 -36.95 68.94 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -62.47 -43.9 97.69 Favored 'General case' 0 CA--C 1.577 1.993 0 O-C-N 120.706 -1.246 . . . . 0.0 112.006 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -33.44 75.99 Favored 'General case' 0 CA--C 1.588 2.406 0 O-C-N 120.614 -1.304 . . . . 0.0 109.577 175.484 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.0 mt -55.75 -44.65 77.8 Favored 'General case' 0 N--CA 1.504 2.227 0 CA-C-N 120.863 1.665 . . . . 0.0 110.914 172.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -56.4 -48.69 76.4 Favored 'General case' 0 CA--C 1.572 1.812 0 C-N-CA 124.038 0.935 . . . . 0.0 111.498 175.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -46.17 89.33 Favored 'General case' 0 N--CA 1.505 2.316 0 CA-C-N 119.279 0.945 . . . . 0.0 112.764 176.706 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . 0.279 1.9 t -69.72 -37.45 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 CA-C-O 117.008 -1.472 . . . . 0.0 110.304 179.336 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -49.78 -48.69 50.33 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-N 121.435 1.925 . . . . 0.0 113.004 174.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -27.97 66.55 Favored 'General case' 0 CA--C 1.593 2.602 0 CA-C-N 119.607 1.094 . . . . 0.0 112.221 172.672 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.57 -54.96 23.86 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.363 0.8 OUTLIER -44.19 -52.48 7.33 Favored 'General case' 0 CA--C 1.569 1.708 0 N-CA-C 117.198 2.295 . . . . 0.0 117.198 176.088 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 137.42 -47.64 0.94 Allowed Glycine 0 N--CA 1.491 2.319 0 CA-C-N 114.532 -1.213 . . . . 0.0 112.915 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -83.15 138.45 33.65 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -89.26 171.53 9.72 Favored 'General case' 0 CA--C 1.575 1.914 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -176.147 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.289 0.3 OUTLIER -108.07 -172.79 2.13 Favored 'General case' 0 CA--C 1.559 1.311 1 N-CA-C 121.82 4.008 . . . . 0.0 121.82 -173.776 . . . . . . . . 4 3 . 1 . 011 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 9.2 t -156.23 138.87 15.07 Favored 'General case' 0 CA--C 1.562 1.427 0 N-CA-C 105.468 -2.049 . . . . 0.0 105.468 170.695 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -43.65 -43.05 5.58 Favored 'General case' 0 CA--C 1.574 1.885 0 N-CA-C 117.743 2.497 . . . . 0.0 117.743 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -61.44 -50.92 70.85 Favored 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 127.414 2.286 . . . . 0.0 112.58 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -47.0 84.29 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 120.678 1.581 . . . . 0.0 110.706 176.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 5.4 mt -57.36 -44.21 84.15 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-N 121.215 1.825 . . . . 0.0 114.234 177.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.525 HE22 ' CG2' ' A' ' 146' ' ' ILE 0.262 0.9 OUTLIER -70.17 -35.14 73.79 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 120.257 1.39 . . . . 0.0 112.285 178.582 . . . . . . . . 4 4 . 1 . 011 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.93 -40.48 95.64 Favored 'General case' 0 CA--C 1.585 2.315 0 CA-C-N 120.746 1.612 . . . . 0.0 110.465 173.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.3 mmt -61.35 -41.78 97.62 Favored 'General case' 0 CA--C 1.576 1.963 0 C-N-CA 123.845 0.858 . . . . 0.0 110.834 174.191 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.525 ' CG2' HE22 ' A' ' 143' ' ' GLN . 10.0 mm -59.2 -56.33 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-O 116.876 -1.535 . . . . 0.0 110.607 175.293 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -56.9 -42.29 79.64 Favored 'General case' 0 N--CA 1.505 2.289 0 CA-C-N 120.988 1.722 . . . . 0.0 113.125 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -66.87 -31.82 72.68 Favored 'General case' 0 CA--C 1.597 2.777 0 CA-C-N 120.719 1.6 . . . . 0.0 113.691 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.03 -44.53 19.97 Favored 'General case' 0 CA--C 1.579 2.083 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.289 25.3 t0 -79.81 67.33 5.56 Favored 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 127.719 2.408 . . . . 0.0 109.986 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.28 0.0 OUTLIER -64.61 -26.32 68.35 Favored 'General case' 0 CA--C 1.563 1.444 0 O-C-N 117.61 -3.181 . . . . 0.0 119.21 -173.57 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.89 -24.75 60.89 Favored 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 120.312 1.415 . . . . 0.0 111.905 171.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 88.83 36.65 7.69 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 119.361 2.504 . . . . 0.0 119.361 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -103.47 3.54 35.03 Favored 'General case' 0 CA--C 1.584 2.286 0 CA-C-N 119.07 1.435 . . . . 0.0 114.485 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 92.21 9.71 61.7 Favored Glycine 0 CA--C 1.554 2.476 0 CA-C-N 121.304 1.866 . . . . 0.0 117.095 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -158.09 152.32 24.36 Favored 'General case' 0 CA--C 1.575 1.913 0 CA-C-N 120.054 1.927 . . . . 0.0 112.014 -177.342 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 7.2 t -99.73 123.6 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.509 0 O-C-N 119.835 -1.791 . . . . 0.0 107.932 -174.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.84 173.94 6.44 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-O 123.055 1.407 . . . . 0.0 113.026 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.42 -50.0 53.13 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 116.21 -1.852 . . . . 0.0 115.943 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.471 ' HA ' ' CD2' ' A' ' 163' ' ' LEU . 0.0 OUTLIER -63.31 -33.96 76.65 Favored 'General case' 0 CA--C 1.576 1.969 0 CA-C-N 122.79 2.541 . . . . 0.0 113.791 177.09 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -27.17 60.3 Favored 'General case' 0 CA--C 1.584 2.25 0 CA-C-N 121.282 1.855 . . . . 0.0 112.055 173.612 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.448 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -61.81 -59.88 4.49 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 126.5 1.92 . . . . 0.0 111.578 175.122 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.471 ' CD2' ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -80.08 -57.41 3.64 Favored 'General case' 0 CA--C 1.573 1.838 0 CA-C-O 118.093 -0.956 . . . . 0.0 113.083 179.245 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -80.2 -60.12 2.45 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 119.555 3.169 . . . . 0.0 119.555 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.275 0.2 OUTLIER . . . . . 0 CA--C 1.579 2.076 1 C-N-CA 132.694 4.398 . . . . 0.0 106.588 -176.522 . . . . . . . . 3 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 115.748 1.758 . . . . 0.0 115.748 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -59.79 -50.6 65.99 Favored Glycine 0 N--CA 1.496 2.667 0 CA-C-N 121.706 2.048 . . . . 0.0 115.522 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.78 -52.57 56.19 Favored 'General case' 0 CA--C 1.577 2.007 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.37 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -54.77 -38.1 66.81 Favored 'General case' 0 N--CA 1.505 2.322 0 C-N-CA 124.082 0.953 . . . . 0.0 112.031 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.67 -52.07 65.83 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.372 1.069 . . . . 0.0 110.973 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.2 m -54.86 -42.72 72.37 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 177.178 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.2 t -67.88 -38.35 79.94 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.485 0 C-N-CA 124.647 1.179 . . . . 0.0 109.798 175.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -61.46 -48.02 83.05 Favored 'General case' 0 N--CA 1.5 2.029 0 C-N-CA 125.404 1.482 . . . . 0.0 112.308 174.64 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 67.2 p -50.14 -39.19 42.5 Favored 'General case' 0 N--CA 1.509 2.506 0 C-N-CA 125.686 1.594 . . . . 0.0 113.243 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -53.28 -31.34 43.35 Favored 'General case' 0 CA--C 1.586 2.339 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 174.643 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -99.83 -45.11 5.84 Favored 'General case' 0 CA--C 1.57 1.728 0 C-N-CA 124.925 1.29 . . . . 0.0 112.317 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 47.3 ttm -141.86 136.33 30.44 Favored 'General case' 0 CA--C 1.568 1.662 0 CA-C-N 120.095 1.316 . . . . 0.0 111.289 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.4 t 83.68 159.89 0.12 Allowed 'General case' 0 N--CA 1.505 2.3 0 C-N-CA 126.012 1.725 . . . . 0.0 114.978 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.44 162.27 20.91 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 77.3 1.89 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.516 -1.365 . . . . 0.0 113.785 -178.566 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.74 -168.23 1.79 Allowed 'General case' 0 CA--C 1.577 2.014 0 CA-C-O 122.333 1.063 . . . . 0.0 112.719 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.7 t -159.44 143.31 14.83 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 118.926 -2.358 . . . . 0.0 111.184 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.92 156.35 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.596 0 C-N-CA 126.922 2.089 . . . . 0.0 114.113 -178.022 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 68.6 -47.99 0.56 Allowed 'General case' 0 N--CA 1.533 3.713 0 CA-C-N 123.598 2.908 . . . . 0.0 111.278 -172.63 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -59.07 -25.76 64.04 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 127.344 2.258 . . . . 0.0 113.422 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -42.57 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.681 0 CA-C-N 122.309 2.322 . . . . 0.0 110.107 171.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.45 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 22.9 mt -70.65 -42.19 71.15 Favored 'General case' 0 CA--C 1.566 1.57 0 CA-C-O 118.939 -0.553 . . . . 0.0 112.415 178.541 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -65.48 -42.02 92.67 Favored 'General case' 0 CA--C 1.57 1.717 0 CA-C-N 119.955 1.252 . . . . 0.0 111.358 174.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.65 85.41 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 120.558 1.527 . . . . 0.0 113.663 177.378 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.438 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 0.4 OUTLIER -66.94 -44.58 80.24 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 119.7 1.136 . . . . 0.0 111.077 175.528 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -65.39 -34.55 78.57 Favored 'General case' 0 CA--C 1.575 1.922 0 CA-C-O 117.466 -1.254 . . . . 0.0 112.734 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 pp -71.83 -28.69 63.74 Favored 'General case' 0 CA--C 1.574 1.893 0 CA-C-N 122.0 2.182 . . . . 0.0 110.746 171.748 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -36.54 68.85 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 119.435 1.016 . . . . 0.0 112.065 171.38 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -70.8 54.42 0.16 Allowed 'General case' 0 CA--C 1.597 2.753 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -53.6 -21.83 7.42 Favored 'General case' 0 N--CA 1.516 2.862 0 O-C-N 118.365 -2.71 . . . . 0.0 115.226 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -94.42 -25.1 17.07 Favored 'General case' 0 CA--C 1.589 2.479 0 C-N-CA 124.776 1.23 . . . . 0.0 110.211 176.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 77.19 56.3 0.03 OUTLIER 'General case' 0 CA--C 1.58 2.134 0 CA-C-O 126.19 2.9 . . . . 0.0 112.603 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 68.3 p -105.51 -40.2 5.87 Favored 'General case' 0 CA--C 1.569 1.675 0 CA-C-N 111.313 -2.676 . . . . 0.0 108.64 177.462 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.82 33.78 12.22 Favored Glycine 0 N--CA 1.487 2.04 0 N-CA-C 118.091 1.996 . . . . 0.0 118.091 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.9 126.4 5.53 Favored 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.5 mp -99.93 124.53 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 CA-C-O 123.152 1.454 . . . . 0.0 107.392 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 58.3 p -99.97 165.52 11.5 Favored 'General case' 0 CA--C 1.583 2.249 0 CA-C-N 112.399 -2.182 . . . . 0.0 107.33 175.67 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -53.11 -37.97 62.2 Favored 'General case' 0 N--CA 1.512 2.647 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.11 -39.95 93.82 Favored 'General case' 0 CA--C 1.577 2.013 0 O-C-N 121.267 -0.896 . . . . 0.0 112.154 178.35 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.62 -36.1 82.72 Favored 'General case' 0 CA--C 1.583 2.241 0 CA-C-N 120.678 1.581 . . . . 0.0 109.433 175.148 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.63 -46.89 70.65 Favored 'General case' 0 N--CA 1.507 2.415 0 CA-C-N 120.184 1.357 . . . . 0.0 110.227 172.248 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -56.93 -46.44 82.03 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 124.608 1.163 . . . . 0.0 111.817 174.413 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.3 mtm105 -57.17 -52.29 65.91 Favored 'General case' 0 N--CA 1.506 2.348 0 CA-C-N 119.548 1.067 . . . . 0.0 111.678 176.009 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 48.8 t -62.78 -44.69 99.7 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.44 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.173 178.326 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.77 -45.26 86.2 Favored 'General case' 0 CA--C 1.576 1.949 0 CA-C-N 119.884 1.22 . . . . 0.0 113.225 174.763 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -64.86 -48.9 72.61 Favored 'General case' 0 CA--C 1.567 1.599 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 176.006 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.67 -34.35 73.84 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 23.2 mt -79.07 -56.74 4.15 Favored 'General case' 0 CA--C 1.574 1.889 0 C-N-CA 124.908 1.283 . . . . 0.0 113.484 176.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 140.18 -16.07 2.99 Favored Glycine 0 CA--C 1.562 2.969 0 C-N-CA 125.447 1.498 . . . . 0.0 114.454 -176.416 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -71.22 60.15 0.28 Allowed 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 125.889 1.675 . . . . 0.0 114.465 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -76.59 -41.7 45.27 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 119.198 -2.189 . . . . 0.0 116.673 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.27 0.0 OUTLIER 34.77 -107.23 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.512 0 CA-C-N 121.177 1.808 . . . . 0.0 112.365 -179.479 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.0 t -158.86 164.32 35.83 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 122.443 2.383 . . . . 0.0 108.31 174.719 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -42.27 -49.96 4.99 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-N 111.53 -2.577 . . . . 0.0 116.228 176.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -63.92 -39.38 94.03 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 125.723 1.609 . . . . 0.0 113.222 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -59.07 -54.23 49.38 Favored 'General case' 0 N--CA 1.507 2.387 0 CA-C-N 119.939 1.245 . . . . 0.0 109.936 174.411 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mt -59.72 -38.2 81.01 Favored 'General case' 0 CA--C 1.578 2.031 0 O-C-N 120.948 -1.095 . . . . 0.0 112.533 175.058 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 27.4 tp60 -69.99 -39.14 76.08 Favored 'General case' 0 CA--C 1.562 1.433 0 CA-C-O 116.682 -1.628 . . . . 0.0 111.407 -178.922 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.69 -33.6 76.01 Favored 'General case' 0 CA--C 1.581 2.138 0 CA-C-N 121.584 1.993 . . . . 0.0 109.921 173.361 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.3 mmt -59.75 -45.55 91.88 Favored 'General case' 0 CA--C 1.593 2.605 0 CA-C-N 121.203 1.819 . . . . 0.0 109.523 171.429 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 4.9 mm -58.23 -54.48 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 C-N-CA 124.398 1.079 . . . . 0.0 111.052 174.116 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -42.34 50.24 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -32.84 64.58 Favored 'General case' 0 CA--C 1.588 2.438 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.5 -42.49 29.46 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 118.79 2.885 . . . . 0.0 118.79 178.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.321 36.3 t0 -63.02 72.95 0.02 OUTLIER 'General case' 0 CA--C 1.591 2.551 0 C-N-CA 127.661 2.385 . . . . 0.0 112.987 -178.552 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -39.96 -50.09 2.5 Favored 'General case' 0 C--N 1.368 1.374 0 N-CA-C 121.506 3.891 . . . . 0.0 121.506 -175.793 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -102.68 4.84 38.6 Favored 'General case' 0 CA--C 1.581 2.163 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 83.39 31.22 28.34 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 122.308 3.683 . . . . 0.0 122.308 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -91.26 -20.71 21.62 Favored 'General case' 0 CA--C 1.581 2.156 0 CA-C-N 120.873 2.336 . . . . 0.0 115.662 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 112.63 9.91 18.04 Favored Glycine 0 CA--C 1.557 2.7 0 N-CA-C 116.879 1.512 . . . . 0.0 116.879 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -149.52 152.37 35.47 Favored 'General case' 0 CA--C 1.573 1.857 0 CA-C-O 123.9 1.809 . . . . 0.0 112.106 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 6.1 t -99.89 119.34 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.221 0 N-CA-C 104.501 -2.407 . . . . 0.0 104.501 -179.13 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 58.1 m -99.92 170.95 8.16 Favored 'General case' 0 CA--C 1.566 1.573 0 CA-C-O 122.185 0.993 . . . . 0.0 112.99 -177.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.72 -45.07 77.99 Favored 'General case' 0 N--CA 1.507 2.379 0 CA-C-O 117.134 -1.412 . . . . 0.0 112.814 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -37.59 79.64 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 122.715 2.507 . . . . 0.0 114.586 175.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.282 3.3 tp10 -73.44 -32.79 64.58 Favored 'General case' 0 CA--C 1.587 2.403 0 CA-C-N 122.567 2.44 . . . . 0.0 110.863 174.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.45 ' CE1' ' HA ' ' A' ' 107' ' ' LEU . 0.1 OUTLIER -57.86 -57.12 14.19 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.699 1.59 . . . . 0.0 112.292 176.46 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . 0.258 1.7 pp -80.11 -43.09 22.31 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-O 117.669 -1.158 . . . . 0.0 113.699 178.351 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -80.1 -34.81 37.65 Favored 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.7 tp . . . . . 0 N--CA 1.518 2.968 0 N-CA-C 118.505 2.78 . . . . 0.0 118.505 -179.28 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . 0.272 34.5 m-85 . . . . . 0 N--CA 1.508 2.44 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -56.0 -46.62 84.07 Favored Glycine 0 N--CA 1.5 2.946 0 CA-C-N 122.09 2.223 . . . . 0.0 113.5 174.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.89 -56.36 23.26 Favored 'General case' 0 CA--C 1.577 1.999 0 C-N-CA 124.573 1.149 . . . . 0.0 111.509 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -49.38 -48.68 46.73 Favored 'General case' 0 CA--C 1.586 2.349 0 CA-C-N 119.587 1.085 . . . . 0.0 113.047 176.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 44.7 tp -62.6 -47.94 81.58 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.186 0.595 . . . . 0.0 111.885 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.99 -46.54 82.17 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.634 176.369 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.3 t -51.71 -48.73 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.179 0 C-N-CA 125.126 1.37 . . . . 0.0 111.751 176.02 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.466 ' SD ' ' HB2' ' A' ' 135' ' ' GLU . 0.0 OUTLIER -63.71 -45.12 91.39 Favored 'General case' 0 CA--C 1.578 2.021 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 177.227 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.1 p -79.76 -38.88 32.21 Favored 'General case' 0 N--CA 1.501 2.1 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -70.98 13.67 0.19 Allowed 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 117.688 2.477 . . . . 0.0 117.688 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -51.84 -41.5 61.87 Favored 'General case' 0 CA--C 1.579 2.069 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 34.0 mmt -95.96 -63.07 1.19 Allowed 'General case' 0 CA--C 1.572 1.805 0 C-N-CA 123.924 0.89 . . . . 0.0 109.21 176.468 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.3 t -153.76 -79.93 0.1 Allowed 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 119.252 0.933 . . . . 0.0 108.99 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . 0.283 2.6 mm-40 61.27 -159.74 0.31 Allowed 'General case' 0 CA--C 1.581 2.161 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 178.743 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.23 158.55 39.03 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 118.182 2.66 . . . . 0.0 118.182 -174.63 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -169.83 149.17 3.68 Favored 'General case' 0 CA--C 1.576 1.955 0 CA-C-O 123.073 1.416 . . . . 0.0 109.735 175.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.4 t -175.73 80.05 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.273 0.0 OUTLIER 48.57 -172.43 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.52 0 C-N-CA 126.173 1.789 . . . . 0.0 115.464 -178.369 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 68.99 -50.75 0.59 Allowed 'General case' 0 N--CA 1.526 3.364 0 CA-C-N 122.299 2.318 . . . . 0.0 113.493 -177.285 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -62.34 -25.42 67.89 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 125.715 1.606 . . . . 0.0 113.269 176.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.1 tt -50.35 -47.48 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 CA-C-N 121.447 1.93 . . . . 0.0 111.968 174.449 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.404 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 14.8 mt -72.63 -37.73 67.96 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-N 114.321 -1.309 . . . . 0.0 112.22 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -68.86 -35.99 77.59 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-N 120.459 1.481 . . . . 0.0 111.095 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.72 -52.03 62.32 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 121.507 1.958 . . . . 0.0 112.513 177.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.461 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 2.3 t80 -65.47 -44.96 85.53 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 118.916 0.78 . . . . 0.0 111.838 176.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -65.59 -34.04 77.3 Favored 'General case' 0 CA--C 1.571 1.786 0 CA-C-O 117.198 -1.382 . . . . 0.0 112.31 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . 0.253 41.9 mt -73.42 -20.0 60.83 Favored 'General case' 0 CA--C 1.588 2.405 0 CA-C-N 122.306 2.321 . . . . 0.0 111.245 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -46.0 72.09 Favored 'General case' 0 CA--C 1.572 1.821 0 CA-C-N 121.493 1.951 . . . . 0.0 112.478 171.887 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -86.87 70.23 10.33 Favored 'General case' 0 CA--C 1.59 2.51 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.22 -18.12 0.54 Allowed 'General case' 0 N--CA 1.517 2.905 0 O-C-N 118.399 -2.688 . . . . 0.0 116.539 177.117 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -86.33 -4.71 59.22 Favored 'General case' 0 CA--C 1.584 2.277 0 CA-C-N 121.455 1.934 . . . . 0.0 112.951 176.394 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 81.03 -13.9 0.88 Allowed 'General case' 0 N--CA 1.516 2.831 0 N-CA-C 118.537 2.792 . . . . 0.0 118.537 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 35.2 p -57.81 -37.38 73.69 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 126.907 2.083 . . . . 0.0 113.909 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 72.17 56.26 6.45 Favored Glycine 0 N--CA 1.476 1.355 0 N-CA-C 117.399 1.72 . . . . 0.0 117.399 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -145.29 110.32 5.17 Favored 'General case' 0 CA--C 1.56 1.352 0 N-CA-C 106.047 -1.835 . . . . 0.0 106.047 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.92 122.62 52.01 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.3 p -99.96 168.0 10.14 Favored 'General case' 0 CA--C 1.577 1.99 0 CA-C-N 111.917 -2.402 . . . . 0.0 107.58 176.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -55.21 -36.16 65.65 Favored 'General case' 0 N--CA 1.506 2.363 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -64.26 -41.91 96.73 Favored 'General case' 0 CA--C 1.57 1.719 0 O-C-N 121.343 -0.848 . . . . 0.0 112.345 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -33.94 77.05 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-N 120.205 1.366 . . . . 0.0 109.574 174.527 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 83.9 mt -55.5 -49.26 73.03 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-N 120.062 1.301 . . . . 0.0 111.245 173.766 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -56.04 -52.78 63.02 Favored 'General case' 0 N--CA 1.499 1.993 0 C-N-CA 124.461 1.104 . . . . 0.0 110.851 175.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.4 mmt-85 -49.63 -52.95 27.04 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 123.372 0.669 . . . . 0.0 112.484 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.5 t -71.67 -39.1 68.81 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.516 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.98 -49.07 66.86 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 119.743 1.156 . . . . 0.0 112.85 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -27.42 51.15 Favored 'General case' 0 CA--C 1.578 2.049 0 CA-C-O 117.664 -1.16 . . . . 0.0 113.336 173.775 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -77.37 -34.61 54.98 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 117.772 2.508 . . . . 0.0 117.772 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.407 ' CD1' ' HG2' ' A' ' 93' ' ' MET . 21.1 mt -70.55 -72.24 0.21 Allowed 'General case' 0 CA--C 1.564 1.519 0 CA-C-N 120.868 1.667 . . . . 0.0 113.42 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 177.14 -45.95 0.1 Allowed Glycine 0 N--CA 1.487 2.057 0 N-CA-C 116.304 1.282 . . . . 0.0 116.304 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.466 ' HB2' ' SD ' ' A' ' 93' ' ' MET . 6.4 mm-40 -101.17 95.14 6.35 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 119.08 1.44 . . . . 0.0 109.386 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.24 117.59 23.63 Favored 'General case' 0 CA--C 1.562 1.43 0 O-C-N 121.448 -0.782 . . . . 0.0 111.548 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.88 -122.93 0.03 OUTLIER 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 14.7 t -145.91 163.86 33.8 Favored 'General case' 0 CA--C 1.575 1.906 0 O-C-N 120.678 -1.264 . . . . 0.0 109.827 179.338 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . 0.262 0.5 OUTLIER -54.19 -43.11 70.45 Favored 'General case' 0 CA--C 1.602 2.976 0 CA-C-N 115.07 -0.968 . . . . 0.0 113.241 -176.842 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -63.9 -43.46 95.94 Favored 'General case' 0 CA--C 1.569 1.691 0 C-N-CA 128.054 2.542 . . . . 0.0 113.222 175.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -55.69 -52.59 63.35 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 120.877 1.671 . . . . 0.0 109.783 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 1.3 mp -57.57 -39.16 76.08 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 174.233 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.252 25.8 tp60 -71.28 -35.13 71.24 Favored 'General case' 0 CA--C 1.567 1.614 0 CA-C-N 119.746 1.157 . . . . 0.0 110.66 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -60.69 -40.78 93.43 Favored 'General case' 0 CA--C 1.583 2.248 0 CA-C-N 119.476 1.035 . . . . 0.0 109.424 173.143 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 52.4 mmm -60.64 -40.41 91.85 Favored 'General case' 0 CA--C 1.579 2.076 0 C-N-CA 124.199 1.0 . . . . 0.0 111.648 173.841 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.2 mm -65.05 -58.29 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 125.12 1.368 . . . . 0.0 111.804 175.277 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.46 -36.94 69.61 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.79 -42.37 70.41 Favored 'General case' 0 CA--C 1.591 2.519 0 CA-C-N 119.831 1.196 . . . . 0.0 112.656 172.812 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.95 9.65 3.45 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 120.116 3.376 . . . . 0.0 120.116 178.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.251 0.0 OUTLIER -97.77 21.24 10.74 Favored 'General case' 0 CA--C 1.593 2.621 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 -176.678 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -25.15 63.87 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 119.766 3.247 . . . . 0.0 119.766 -176.706 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -67.63 -23.93 65.41 Favored 'General case' 0 CA--C 1.598 2.809 0 CA-C-N 119.827 1.194 . . . . 0.0 111.068 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 96.36 49.88 1.95 Allowed Glycine 0 N--CA 1.488 2.155 0 N-CA-C 119.924 2.73 . . . . 0.0 119.924 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -135.84 -0.36 2.58 Favored 'General case' 0 CA--C 1.578 2.044 0 CA-C-O 116.905 -1.521 . . . . 0.0 113.759 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 71.31 13.09 73.4 Favored Glycine 0 N--CA 1.509 3.551 0 CA-C-N 123.506 2.866 . . . . 0.0 117.202 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -147.28 174.48 11.59 Favored 'General case' 0 CA--C 1.584 2.26 0 C-N-CA 127.737 2.415 . . . . 0.0 106.505 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 12.2 t -99.92 120.56 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.628 0 O-C-N 117.87 -3.019 . . . . 0.0 105.991 179.924 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.94 172.2 7.37 Favored 'General case' 0 CA--C 1.568 1.65 0 CA-C-O 123.613 1.673 . . . . 0.0 112.664 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.25 2.9 pm0 -55.24 -40.33 70.79 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -63.21 -36.74 84.65 Favored 'General case' 0 CA--C 1.583 2.217 0 CA-C-N 120.824 1.647 . . . . 0.0 112.017 175.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -76.75 -20.0 56.99 Favored 'General case' 0 N--CA 1.508 2.439 0 CA-C-N 120.88 1.673 . . . . 0.0 112.3 175.833 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 3.5 t80 -69.8 -54.17 14.88 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 125.74 1.616 . . . . 0.0 109.946 174.549 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -47.07 15.44 Favored 'General case' 0 CA--C 1.582 2.183 0 CA-C-O 118.118 -0.944 . . . . 0.0 112.878 176.849 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -80.07 -21.86 42.9 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 118.413 2.746 . . . . 0.0 118.413 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 3.2 tp . . . . . 0 N--CA 1.522 3.164 0 N-CA-C 118.375 2.732 . . . . 0.0 118.375 -178.698 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 . . . . . 0 N--CA 1.51 2.561 0 N-CA-C 118.75 2.87 . . . . 0.0 118.75 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.18 -49.68 49.16 Favored Glycine 0 N--CA 1.498 2.779 0 CA-C-N 120.781 1.628 . . . . 0.0 114.318 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -57.08 -49.57 75.46 Favored 'General case' 0 CA--C 1.573 1.864 0 C-N-CA 124.264 1.025 . . . . 0.0 113.755 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . 0.268 58.5 t80 -55.45 -45.88 76.82 Favored 'General case' 0 CA--C 1.586 2.365 0 C-N-CA 124.913 1.285 . . . . 0.0 111.979 176.116 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -53.89 50.5 Favored 'General case' 0 CA--C 1.562 1.44 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.906 174.658 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.836 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 6.6 t -59.22 -30.68 68.41 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 119.103 0.865 . . . . 0.0 112.788 177.173 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.3 t -61.43 -47.38 93.7 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 CA-C-N 120.577 1.535 . . . . 0.0 108.928 172.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.415 ' SD ' ' C ' ' A' ' 93' ' ' MET . 1.0 OUTLIER -62.1 -57.13 12.72 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 120.326 1.421 . . . . 0.0 111.517 173.249 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.836 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 51.3 p -50.93 -51.89 47.72 Favored 'General case' 0 N--CA 1.511 2.606 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 -178.724 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.411 ' NE2' ' OG1' ' A' ' 91' ' ' THR . 39.6 mt-30 -62.81 -12.91 27.55 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 116.981 2.215 . . . . 0.0 116.981 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -40.97 69.42 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 120.647 1.567 . . . . 0.0 114.544 177.881 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.8 tpt -113.8 54.68 0.74 Allowed 'General case' 0 CA--C 1.58 2.108 0 C-N-CA 123.65 0.78 . . . . 0.0 109.977 176.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.9 m 65.38 -75.64 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.405 ' CD ' ' HZ3' ' A' ' 100' ' ' LYS 0.251 18.4 mm-40 57.29 -115.78 0.9 Allowed 'General case' 0 CA--C 1.578 2.028 0 N-CA-C 114.943 1.461 . . . . 0.0 114.943 -179.701 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.405 ' HZ3' ' CD ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -160.04 -68.45 0.07 Allowed 'General case' 0 N--CA 1.496 1.875 0 CA-C-N 120.955 1.707 . . . . 0.0 110.017 -179.554 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.617 ' CG ' ' HG1' ' A' ' 94' ' ' THR . 13.5 m-20 50.28 100.82 0.01 OUTLIER 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 118.404 2.742 . . . . 0.0 118.404 177.327 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.1 t -166.01 86.97 0.36 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.277 -1.515 . . . . 0.0 110.33 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.6 pttm 59.76 177.79 0.09 Allowed 'General case' 0 N--CA 1.512 2.643 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 69.99 -38.9 0.42 Allowed 'General case' 0 N--CA 1.524 3.261 0 O-C-N 119.364 -2.085 . . . . 0.0 111.994 -173.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -54.77 -35.6 63.98 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.013 2.125 . . . . 0.0 111.852 175.209 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.3 tt -56.91 -42.42 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.366 0 CA-C-N 121.446 1.93 . . . . 0.0 111.529 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 mp -71.54 -43.23 66.79 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 118.301 -0.857 . . . . 0.0 113.088 176.751 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -66.82 -40.48 88.05 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 120.361 1.437 . . . . 0.0 112.252 175.527 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.23 -49.54 71.54 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 121.145 1.793 . . . . 0.0 113.416 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.491 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 21.3 t80 -67.76 -44.39 77.61 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 120.001 1.273 . . . . 0.0 112.09 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -66.22 -38.19 87.34 Favored 'General case' 0 CA--C 1.579 2.081 0 CA-C-O 116.804 -1.57 . . . . 0.0 111.207 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.3 mt -74.25 -19.95 60.33 Favored 'General case' 0 CA--C 1.58 2.121 0 CA-C-N 122.765 2.529 . . . . 0.0 112.869 175.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -42.44 78.1 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 121.419 1.918 . . . . 0.0 111.53 172.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -85.83 78.79 9.46 Favored 'General case' 0 CA--C 1.592 2.58 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.75 -18.85 0.3 Allowed 'General case' 0 N--CA 1.516 2.835 0 CA-C-N 123.362 2.801 . . . . 0.0 116.909 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -90.14 -2.99 58.15 Favored 'General case' 0 CA--C 1.592 2.581 0 CA-C-N 121.175 1.807 . . . . 0.0 111.564 175.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 71.12 -5.98 1.42 Allowed 'General case' 0 CA--C 1.578 2.057 0 N-CA-C 117.499 2.407 . . . . 0.0 117.499 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.628 ' HG1' ' N ' ' A' ' 119' ' ' GLY . 6.8 p -56.48 -42.93 79.11 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 125.562 1.545 . . . . 0.0 112.697 177.305 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.628 ' N ' ' HG1' ' A' ' 118' ' ' THR . . . 93.83 69.02 1.08 Allowed Glycine 0 CA--C 1.538 1.495 0 N-CA-C 116.941 1.536 . . . . 0.0 116.941 179.107 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.87 109.87 3.9 Favored 'General case' 0 CA--C 1.574 1.885 0 CA-C-N 117.86 0.83 . . . . 0.0 109.753 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.26 131.36 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.563 0 CA-C-N 120.806 1.639 . . . . 0.0 109.13 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 64.6 p -107.41 166.0 10.98 Favored 'General case' 0 CA--C 1.581 2.168 0 CA-C-N 113.231 -1.804 . . . . 0.0 107.481 173.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -48.33 -47.23 37.01 Favored 'General case' 0 N--CA 1.512 2.645 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -56.73 -38.12 71.92 Favored 'General case' 0 CA--C 1.579 2.079 0 CA-C-N 114.266 -1.334 . . . . 0.0 113.423 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.09 -37.34 81.1 Favored 'General case' 0 CA--C 1.59 2.501 0 CA-C-N 121.003 1.728 . . . . 0.0 108.882 174.758 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 mt -53.08 -45.72 68.31 Favored 'General case' 0 N--CA 1.518 2.943 0 CA-C-N 120.503 1.501 . . . . 0.0 110.803 172.099 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -56.8 -46.8 81.34 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.747 1.219 . . . . 0.0 111.649 174.087 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -58.25 6.19 Favored 'General case' 0 N--CA 1.505 2.308 0 CA-C-O 121.475 0.655 . . . . 0.0 112.426 175.795 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.6 t -65.4 -34.56 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.455 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.717 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.52 -30.45 70.64 Favored 'General case' 0 CA--C 1.578 2.057 0 CA-C-N 119.033 0.833 . . . . 0.0 112.636 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -43.02 35.55 Favored 'General case' 0 CA--C 1.57 1.723 0 CA-C-O 117.174 -1.393 . . . . 0.0 110.294 173.356 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -54.02 -45.96 71.68 Favored 'General case' 0 N--CA 1.506 2.339 0 CA-C-N 121.199 1.818 . . . . 0.0 113.453 174.411 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.347 5.4 mp -69.77 -65.7 0.68 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 127.193 2.197 . . . . 0.0 111.735 175.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.11 -32.29 2.01 Favored Glycine 0 CA--C 1.559 2.825 0 N-CA-C 114.72 0.648 . . . . 0.0 114.72 -176.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.41 68.1 0.75 Allowed 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 125.243 1.417 . . . . 0.0 110.53 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -144.79 -93.39 0.1 Allowed 'General case' 0 CA--C 1.567 1.609 0 O-C-N 120.709 -1.244 . . . . 0.0 111.815 -176.228 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.254 0.0 OUTLIER -144.69 -146.24 0.18 Allowed 'General case' 0 CA--C 1.582 2.209 0 CA-C-N 120.742 1.61 . . . . 0.0 112.572 -179.214 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.0 t -137.1 171.44 14.5 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 119.972 -1.705 . . . . 0.0 112.222 -177.195 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -39.9 -54.41 2.17 Favored 'General case' 0 CA--C 1.566 1.571 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.34 -47.65 83.27 Favored 'General case' 0 CA--C 1.57 1.737 0 CA-C-N 113.544 -1.662 . . . . 0.0 112.07 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.58 -43.4 98.9 Favored 'General case' 0 CA--C 1.584 2.284 0 C-N-CA 123.706 0.803 . . . . 0.0 111.952 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 50.2 mt -56.08 -45.56 79.33 Favored 'General case' 0 CA--C 1.58 2.12 0 O-C-N 119.786 -1.821 . . . . 0.0 111.313 173.437 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.499 HE22 ' CG2' ' A' ' 146' ' ' ILE . 0.9 OUTLIER -66.4 -32.95 74.65 Favored 'General case' 0 CA--C 1.573 1.846 0 O-C-N 121.209 -0.932 . . . . 0.0 112.772 177.009 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.81 -44.04 97.66 Favored 'General case' 0 CA--C 1.582 2.196 0 CA-C-N 120.496 1.498 . . . . 0.0 110.173 174.067 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 20.1 ptp -64.55 -34.11 77.48 Favored 'General case' 0 CA--C 1.582 2.183 0 CA-C-N 119.878 1.217 . . . . 0.0 111.448 174.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.499 ' CG2' HE22 ' A' ' 143' ' ' GLN . 6.9 mm -60.29 -60.04 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 CA-C-N 120.582 1.537 . . . . 0.0 109.505 173.344 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.36 -35.3 62.63 Favored 'General case' 0 N--CA 1.506 2.337 0 CA-C-N 119.695 1.134 . . . . 0.0 113.537 -178.217 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -68.94 -40.33 79.04 Favored 'General case' 0 CA--C 1.6 2.871 0 CA-C-N 121.322 1.874 . . . . 0.0 111.788 172.242 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.28 -24.74 50.97 Favored 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 119.286 3.069 . . . . 0.0 119.286 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.83 27.41 0.02 OUTLIER 'General case' 0 CA--C 1.584 2.254 0 N-CA-C 120.799 3.629 . . . . 0.0 120.799 -176.495 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -33.6 57.28 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 118.365 2.728 . . . . 0.0 118.365 -176.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -71.3 -26.5 62.88 Favored 'General case' 0 CA--C 1.578 2.042 0 CA-C-O 116.415 -1.755 . . . . 0.0 113.357 175.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 149.58 138.0 2.86 Favored Glycine 0 CA--C 1.554 2.481 0 CA-C-N 123.241 2.746 . . . . 0.0 119.918 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.55 7.44 0.06 Allowed 'General case' 0 CA--C 1.579 2.076 1 N-CA-C 122.281 4.178 . . . . 0.0 122.281 173.59 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 104.56 41.87 1.95 Allowed Glycine 0 N--CA 1.496 2.669 0 CA-C-N 124.212 3.187 . . . . 0.0 118.038 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.26 145.39 20.51 Favored 'General case' 0 CA--C 1.572 1.82 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.3 t -99.82 121.22 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 C-N-CA 124.137 0.975 . . . . 0.0 109.914 -174.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.7 t -100.22 175.38 5.75 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-O 124.075 1.893 . . . . 0.0 112.109 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -50.05 59.86 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 115.584 -2.15 . . . . 0.0 115.369 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.421 ' HA ' ' CD1' ' A' ' 163' ' ' LEU . 3.4 pp0? -62.16 -32.28 72.87 Favored 'General case' 0 CA--C 1.573 1.852 0 CA-C-N 123.641 2.928 . . . . 0.0 114.543 178.449 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -75.15 -29.92 60.61 Favored 'General case' 0 CA--C 1.577 1.984 0 CA-C-N 120.616 1.553 . . . . 0.0 111.906 175.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.491 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.3 OUTLIER -62.79 -58.43 7.44 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 125.471 1.508 . . . . 0.0 112.787 176.13 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.421 ' CD1' ' HA ' ' A' ' 160' ' ' GLN . 0.4 OUTLIER -80.07 -33.31 39.03 Favored 'General case' 0 CA--C 1.574 1.897 0 N-CA-C 113.985 1.105 . . . . 0.0 113.985 -178.254 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -75.64 -19.91 58.87 Favored 'General case' 0 CA--C 1.576 1.953 0 CA-C-N 121.45 1.932 . . . . 0.0 116.046 177.576 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 N--CA 1.521 3.095 0 N-CA-C 118.196 2.665 . . . . 0.0 118.196 -179.709 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 117.331 -1.318 . . . . 0.0 114.119 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.12 -45.74 95.45 Favored Glycine 0 N--CA 1.491 2.362 0 CA-C-N 121.567 1.985 . . . . 0.0 115.43 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.5 -55.51 13.27 Favored 'General case' 0 CA--C 1.572 1.812 0 CA-C-O 117.092 -1.432 . . . . 0.0 111.193 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -47.51 -49.31 26.29 Favored 'General case' 0 N--CA 1.507 2.394 0 CA-C-N 120.399 1.454 . . . . 0.0 114.238 177.079 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.25 -47.85 75.31 Favored 'General case' 0 CA--C 1.563 1.443 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.703 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.4 m -57.53 -40.06 77.94 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 175.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.81 -48.13 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 C-N-CA 125.77 1.628 . . . . 0.0 111.621 176.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.549 ' SD ' ' HB3' ' A' ' 135' ' ' GLU . 0.0 OUTLIER -70.48 -41.7 72.36 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 112.837 0.681 . . . . 0.0 112.837 176.932 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 100' ' ' LYS . 80.0 p -67.41 -52.02 44.75 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-O 118.515 -0.755 . . . . 0.0 110.971 177.594 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -58.38 -33.41 69.57 Favored 'General case' 0 CA--C 1.576 1.961 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 177.129 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -79.45 102.04 8.53 Favored 'General case' 0 CA--C 1.568 1.666 0 CA-C-N 119.549 1.068 . . . . 0.0 109.456 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 34.0 ttp 76.12 -39.48 0.37 Allowed 'General case' 0 N--CA 1.504 2.261 0 N-CA-C 117.495 2.406 . . . . 0.0 117.495 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.2 t -77.67 -79.07 0.12 Allowed 'General case' 0 N--CA 1.497 1.89 0 CA-C-N 122.067 2.212 . . . . 0.0 113.982 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -154.63 -83.33 0.07 Allowed 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 121.409 1.913 . . . . 0.0 112.249 178.8 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.437 ' O ' ' OG1' ' A' ' 94' ' ' THR . 0.7 OUTLIER -168.04 -71.48 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.233 0 CA-C-N 121.577 1.989 . . . . 0.0 113.585 -178.893 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.9 t0 71.07 144.17 0.06 Allowed 'General case' 0 N--CA 1.504 2.269 0 C-N-CA 125.818 1.647 . . . . 0.0 113.619 -177.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.5 t -173.69 125.29 0.38 Allowed 'General case' 0 N--CA 1.509 2.516 0 O-C-N 120.275 -1.516 . . . . 0.0 111.825 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.259 0.0 OUTLIER 56.27 167.36 0.03 OUTLIER 'General case' 0 N--CA 1.509 2.48 0 C-N-CA 127.141 2.176 . . . . 0.0 115.89 -178.475 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 66.42 -48.66 0.44 Allowed 'General case' 0 N--CA 1.524 3.266 0 CA-C-N 122.326 2.33 . . . . 0.0 112.031 -172.398 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -35.06 6.15 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 128.587 2.755 . . . . 0.0 114.466 175.554 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.0 tt -60.48 -41.32 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 CA-C-N 120.497 1.498 . . . . 0.0 111.701 176.286 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.473 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 0.5 OUTLIER -71.78 -46.91 56.78 Favored 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -179.776 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -67.62 -41.26 84.22 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 117.487 -1.244 . . . . 0.0 112.534 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.16 -44.65 75.49 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 121.068 1.758 . . . . 0.0 113.167 178.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.493 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 6.3 t80 -67.15 -43.9 81.13 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.61 2.004 . . . . 0.0 112.836 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . 0.25 7.6 tptt -67.75 -32.42 73.02 Favored 'General case' 0 CA--C 1.58 2.12 0 CA-C-N 120.977 1.717 . . . . 0.0 111.826 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.3 mt -80.02 -19.94 46.55 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-N 122.401 2.364 . . . . 0.0 112.179 172.939 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -43.77 90.61 Favored 'General case' 0 CA--C 1.568 1.667 0 CA-C-N 121.642 2.019 . . . . 0.0 111.58 172.822 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -83.98 84.48 7.57 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-O 118.263 -0.875 . . . . 0.0 108.938 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -44.39 -15.67 0.02 OUTLIER 'General case' 0 CA--C 1.604 3.035 0 N-CA-C 117.782 2.512 . . . . 0.0 117.782 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -99.51 -11.26 21.22 Favored 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 120.619 1.554 . . . . 0.0 112.77 176.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 71.04 1.02 3.63 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 -177.375 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -69.78 -26.28 64.2 Favored 'General case' 0 CA--C 1.582 2.175 0 C-N-CA 125.566 1.546 . . . . 0.0 111.109 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 77.15 69.09 1.43 Allowed Glycine 0 C--N 1.359 1.813 0 N-CA-C 120.595 2.998 . . . . 0.0 120.595 175.445 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -149.5 109.87 4.19 Favored 'General case' 0 CA--C 1.568 1.64 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.16 128.11 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 CA-C-O 122.544 1.164 . . . . 0.0 108.711 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.9 p -102.45 170.81 7.83 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-N 112.991 -1.913 . . . . 0.0 107.724 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 4.7 t80 -56.06 -35.05 66.51 Favored 'General case' 0 N--CA 1.511 2.591 0 O-C-N 120.442 -1.411 . . . . 0.0 114.68 179.052 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -45.79 86.6 Favored 'General case' 0 CA--C 1.578 2.029 0 O-C-N 120.551 -1.343 . . . . 0.0 112.66 178.233 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -67.97 -31.91 71.96 Favored 'General case' 0 CA--C 1.576 1.98 0 O-C-N 121.062 -1.024 . . . . 0.0 111.471 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.5 mt -56.83 -48.33 78.28 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 120.708 1.595 . . . . 0.0 111.263 174.264 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.337 0.0 OUTLIER -70.6 -28.26 64.73 Favored 'General case' 0 CA--C 1.581 2.145 0 CA-C-O 116.647 -1.644 . . . . 0.0 111.034 177.218 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -57.4 -57.2 13.71 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 121.832 2.105 . . . . 0.0 108.506 172.086 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . 0.337 0.1 OUTLIER -67.53 -41.89 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 CA-C-O 117.399 -1.286 . . . . 0.0 111.973 -178.92 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -45.05 -46.78 11.64 Favored 'General case' 0 CA--C 1.576 1.976 0 CA-C-N 121.269 1.85 . . . . 0.0 112.567 174.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -66.34 -41.52 89.45 Favored 'General case' 0 CA--C 1.59 2.51 0 O-C-N 121.118 -0.989 . . . . 0.0 112.865 173.505 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -72.37 -60.08 2.41 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 121.376 3.843 . . . . 0.0 121.376 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.488 20.6 tp -33.16 -51.14 0.32 Allowed 'General case' 0 CA--C 1.56 1.362 1 N-CA-C 122.353 4.205 . . . . 0.0 122.353 -177.836 . . . . . . . . 3 2 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 152.64 -23.14 0.83 Allowed Glycine 0 CA--C 1.548 2.118 0 CA-C-N 112.162 -2.29 . . . . 0.0 111.98 -176.562 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.549 ' HB3' ' SD ' ' A' ' 93' ' ' MET . 0.6 OUTLIER -151.37 136.23 17.27 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 120.763 2.281 . . . . 0.0 109.909 179.766 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -93.5 -42.94 8.97 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 117.811 2.523 . . . . 0.0 117.811 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.3 tp 66.54 -118.17 0.27 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 117.195 -1.384 . . . . 0.0 108.152 -176.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.7 t -156.71 158.73 37.45 Favored 'General case' 0 CA--C 1.566 1.58 0 CA-C-O 126.036 2.827 . . . . 0.0 111.769 177.107 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -39.94 -50.26 2.49 Favored 'General case' 0 CA--C 1.577 1.994 0 CA-C-N 109.851 -3.34 . . . . 0.0 116.888 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.23 -41.33 97.06 Favored 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 125.945 1.698 . . . . 0.0 112.44 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -60.5 -47.5 85.86 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 123.836 0.854 . . . . 0.0 110.488 174.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.6 mp -55.68 -46.54 77.56 Favored 'General case' 0 CA--C 1.563 1.449 0 O-C-N 120.726 -1.234 . . . . 0.0 113.074 174.294 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.468 HE22 ' CG2' ' A' ' 146' ' ' ILE 0.25 1.0 OUTLIER -66.57 -30.41 70.7 Favored 'General case' 0 CA--C 1.576 1.955 0 CA-C-O 118.101 -0.952 . . . . 0.0 113.13 177.512 . . . . . . . . 4 4 . 1 . 015 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.02 -46.0 89.66 Favored 'General case' 0 CA--C 1.581 2.138 0 CA-C-N 120.527 1.512 . . . . 0.0 110.089 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -64.13 -33.54 76.01 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.745 -1.222 . . . . 0.0 111.775 175.003 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.468 ' CG2' HE22 ' A' ' 143' ' ' GLN . 17.7 mm -59.49 -55.03 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 CA-C-N 121.643 2.02 . . . . 0.0 109.848 172.935 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.02 -39.27 65.98 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 117.41 -1.281 . . . . 0.0 113.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -51.23 37.44 Favored 'General case' 0 CA--C 1.592 2.563 0 CA-C-N 121.177 1.808 . . . . 0.0 111.223 172.798 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.89 74.47 Favored 'General case' 0 CA--C 1.557 1.242 0 N-CA-C 120.485 3.513 . . . . 0.0 120.485 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.23 49.33 0.06 Allowed 'General case' 0 CA--C 1.59 2.499 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -50.54 -41.02 53.43 Favored 'General case' 0 CA--C 1.572 1.814 0 O-C-N 119.451 -2.031 . . . . 0.0 115.437 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -65.23 -38.83 91.61 Favored 'General case' 0 CA--C 1.584 2.262 0 C-N-CA 124.322 1.049 . . . . 0.0 113.203 174.537 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 101.18 41.02 2.69 Favored Glycine 0 CA--C 1.548 2.155 0 N-CA-C 121.853 3.501 . . . . 0.0 121.853 176.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -119.26 6.17 11.21 Favored 'General case' 0 CA--C 1.586 2.347 0 CA-C-N 119.124 1.462 . . . . 0.0 113.935 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 79.08 22.13 66.35 Favored Glycine 0 CA--C 1.571 3.591 0 O-C-N 119.205 -2.184 . . . . 0.0 113.342 -172.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -160.02 151.19 19.39 Favored 'General case' 0 CA--C 1.574 1.888 0 C-N-CA 126.016 1.726 . . . . 0.0 109.073 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 13.0 t -99.73 130.45 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.578 0 O-C-N 120.12 -1.613 . . . . 0.0 110.559 -173.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 54.0 p -99.77 171.35 7.94 Favored 'General case' 0 CA--C 1.57 1.74 0 CA-C-O 122.813 1.292 . . . . 0.0 112.193 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.314 20.6 pt-20 -58.93 -37.74 77.38 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.426 -1.421 . . . . 0.0 114.657 -178.395 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.5 pt20 -60.41 -36.58 78.47 Favored 'General case' 0 CA--C 1.584 2.271 0 CA-C-N 122.966 2.621 . . . . 0.0 112.531 173.443 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -32.31 71.0 Favored 'General case' 0 N--CA 1.513 2.717 0 CA-C-N 122.116 2.235 . . . . 0.0 109.655 175.282 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.493 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -62.14 -37.5 85.41 Favored 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 124.912 1.285 . . . . 0.0 112.941 172.212 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -79.94 -52.04 8.35 Favored 'General case' 0 CA--C 1.579 2.09 0 C-N-CA 126.267 1.827 . . . . 0.0 112.345 177.165 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -19.94 0.12 Allowed 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 118.487 2.773 . . . . 0.0 118.487 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.573 1.844 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 176.562 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.505 2.296 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.38 -43.14 34.69 Favored Glycine 0 N--CA 1.499 2.841 0 N-CA-C 116.815 1.486 . . . . 0.0 116.815 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.87 -51.35 67.35 Favored 'General case' 0 CA--C 1.576 1.952 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.948 176.05 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.31 -38.94 69.33 Favored 'General case' 0 CA--C 1.59 2.499 0 C-N-CA 124.205 1.002 . . . . 0.0 111.664 175.198 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.84 -53.26 53.46 Favored 'General case' 0 CA--C 1.563 1.46 0 O-C-N 120.522 -1.361 . . . . 0.0 109.992 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.525 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 4.2 m -56.15 -39.42 72.26 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 176.585 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -42.15 88.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 C-N-CA 124.782 1.233 . . . . 0.0 112.003 174.707 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 56.7 ttp -65.74 -57.18 8.62 Favored 'General case' 0 CA--C 1.583 2.22 0 CA-C-O 123.742 1.734 . . . . 0.0 112.968 174.233 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.525 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 73.4 p -58.83 -38.45 78.68 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 111.82 -2.446 . . . . 0.0 115.422 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -63.68 -2.77 1.86 Allowed 'General case' 0 CA--C 1.582 2.205 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 176.405 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -98.03 73.85 2.26 Favored 'General case' 0 CA--C 1.567 1.603 0 O-C-N 120.481 -1.387 . . . . 0.0 109.786 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 2.0 mpt? 66.3 58.93 0.67 Allowed 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 125.162 1.385 . . . . 0.0 114.41 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.1 t -161.1 -55.49 0.05 Allowed 'General case' 0 N--CA 1.499 2.006 0 C-N-CA 124.546 1.138 . . . . 0.0 109.631 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 57.94 57.95 3.86 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 116.695 2.109 . . . . 0.0 116.695 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -143.45 177.9 8.13 Favored 'General case' 0 CA--C 1.576 1.962 0 C-N-CA 124.777 1.231 . . . . 0.0 111.651 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 85.79 100.3 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 C-N-CA 126.615 1.966 . . . . 0.0 113.967 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.2 m -158.91 94.72 1.24 Allowed 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.98 155.58 0.05 Allowed 'General case' 0 N--CA 1.513 2.675 0 C-N-CA 126.976 2.11 . . . . 0.0 114.172 -176.609 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 64.51 -46.2 0.31 Allowed 'General case' 0 N--CA 1.533 3.677 0 CA-C-N 123.413 2.824 . . . . 0.0 113.341 -173.62 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -70.71 -20.2 62.68 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 125.887 1.675 . . . . 0.0 113.654 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.28 -36.95 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 CA-C-N 120.15 1.341 . . . . 0.0 111.699 172.786 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.429 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 3.2 mp -68.25 -45.77 72.28 Favored 'General case' 0 CA--C 1.562 1.422 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -41.82 82.69 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 117.692 -1.146 . . . . 0.0 110.918 175.779 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.3 -46.25 89.58 Favored 'General case' 0 CA--C 1.562 1.407 0 CA-C-N 121.091 1.769 . . . . 0.0 113.832 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -65.03 -49.02 71.79 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 121.109 1.777 . . . . 0.0 110.398 175.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -62.06 -36.6 82.12 Favored 'General case' 0 CA--C 1.579 2.079 0 CA-C-O 117.799 -1.096 . . . . 0.0 112.697 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.6 mt -76.74 -19.96 57.06 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-N 121.109 1.777 . . . . 0.0 111.812 173.534 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -40.17 96.41 Favored 'General case' 0 CA--C 1.581 2.153 0 CA-C-N 121.745 2.066 . . . . 0.0 110.115 170.499 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -73.92 72.95 1.62 Allowed 'General case' 0 CA--C 1.586 2.351 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.3 -11.72 0.55 Allowed 'General case' 0 CA--C 1.616 3.517 0 O-C-N 118.609 -2.557 . . . . 0.0 113.916 172.777 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -98.2 -9.55 25.49 Favored 'General case' 0 CA--C 1.585 2.312 0 C-N-CA 125.647 1.579 . . . . 0.0 111.963 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 74.98 -11.92 1.01 Allowed 'General case' 0 N--CA 1.507 2.388 0 CA-C-N 122.538 2.426 . . . . 0.0 114.794 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.0 t -57.58 -24.05 54.07 Favored 'General case' 0 CA--C 1.568 1.653 0 C-N-CA 125.866 1.667 . . . . 0.0 114.897 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.2 53.49 13.9 Favored Glycine 0 C--N 1.354 1.559 0 N-CA-C 119.196 2.438 . . . . 0.0 119.196 176.951 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.8 109.94 2.35 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 123.678 0.791 . . . . 0.0 109.362 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.7 mp -100.0 122.13 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.7 t -104.51 176.85 5.02 Favored 'General case' 0 CA--C 1.583 2.222 0 CA-C-O 124.402 2.049 . . . . 0.0 106.113 173.696 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.25 -48.9 35.04 Favored 'General case' 0 N--CA 1.507 2.407 0 N-CA-C 117.637 2.458 . . . . 0.0 117.637 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -58.2 -40.0 80.46 Favored 'General case' 0 CA--C 1.582 2.186 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.7 -30.11 66.59 Favored 'General case' 0 N--CA 1.512 2.644 0 CA-C-N 120.549 1.522 . . . . 0.0 109.294 174.085 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.94 -45.96 74.92 Favored 'General case' 0 N--CA 1.508 2.452 0 CA-C-N 121.692 2.042 . . . . 0.0 109.468 170.84 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -56.02 -48.76 75.36 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 125.48 1.512 . . . . 0.0 111.286 173.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -54.05 -48.85 70.12 Favored 'General case' 0 N--CA 1.502 2.133 0 CA-C-N 118.698 0.681 . . . . 0.0 112.723 175.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.52 -44.62 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.032 178.131 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.12 -38.81 40.79 Favored 'General case' 0 CA--C 1.58 2.118 0 CA-C-N 120.647 1.567 . . . . 0.0 113.269 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -71.8 -43.96 64.77 Favored 'General case' 0 CA--C 1.583 2.217 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.909 172.654 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -54.36 -56.62 16.72 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 125.15 1.38 . . . . 0.0 113.503 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.317 9.0 mp -51.63 -37.1 48.65 Favored 'General case' 0 CA--C 1.556 1.173 0 N-CA-C 117.762 2.504 . . . . 0.0 117.762 174.194 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.26 -39.89 2.64 Favored Glycine 0 CA--C 1.547 2.071 0 CA-C-N 112.91 -1.95 . . . . 0.0 113.647 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -86.85 84.56 7.33 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -81.64 115.52 20.94 Favored 'General case' 0 CA--C 1.558 1.279 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -176.309 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 mp -70.69 145.02 50.82 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 14.1 t -75.89 163.59 27.06 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.784 -1.198 . . . . 0.0 112.777 -177.014 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -43.21 -46.66 6.16 Favored 'General case' 0 CA--C 1.572 1.821 0 N-CA-C 118.087 2.625 . . . . 0.0 118.087 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.94 -49.08 74.0 Favored 'General case' 0 CA--C 1.574 1.883 0 CA-C-N 113.116 -1.856 . . . . 0.0 111.496 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -54.7 -51.41 65.65 Favored 'General case' 0 N--CA 1.505 2.281 0 C-N-CA 123.826 0.85 . . . . 0.0 112.879 176.225 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.72 -45.84 88.68 Favored 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 124.79 1.236 . . . . 0.0 113.204 177.242 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.439 HE22 ' CG2' ' A' ' 146' ' ' ILE . 0.8 OUTLIER -67.85 -34.67 77.16 Favored 'General case' 0 CA--C 1.572 1.82 0 CA-C-N 120.255 1.389 . . . . 0.0 112.523 177.602 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -60.44 -44.76 95.48 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 121.004 1.729 . . . . 0.0 109.753 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.83 -43.19 76.75 Favored 'General case' 0 CA--C 1.579 2.095 0 C-N-CA 124.947 1.299 . . . . 0.0 111.583 174.31 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.439 ' CG2' HE22 ' A' ' 143' ' ' GLN . 9.7 mm -58.91 -60.01 2.97 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-O 115.877 -2.011 . . . . 0.0 109.884 175.277 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.4 -36.81 61.88 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 121.603 2.001 . . . . 0.0 114.158 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.52 -52.15 66.55 Favored 'General case' 0 N--CA 1.516 2.848 0 CA-C-O 121.92 0.866 . . . . 0.0 109.919 172.601 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.01 -48.52 81.37 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.565 173.231 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.261 0.0 OUTLIER -78.9 40.5 0.4 Allowed 'General case' 0 CA--C 1.585 2.304 0 C-N-CA 127.565 2.346 . . . . 0.0 114.505 179.439 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -59.7 -33.24 71.35 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 117.518 -3.239 . . . . 0.0 116.664 -178.561 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -69.28 -27.07 65.09 Favored 'General case' 0 CA--C 1.59 2.485 0 C-N-CA 123.693 0.797 . . . . 0.0 112.799 175.06 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 102.24 63.53 0.73 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 121.67 3.428 . . . . 0.0 121.67 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -132.97 -4.34 3.14 Favored 'General case' 0 CA--C 1.592 2.568 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 176.459 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 73.14 16.0 78.61 Favored Glycine 0 N--CA 1.51 3.622 0 CA-C-N 123.287 2.767 . . . . 0.0 117.781 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.11 163.45 33.8 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 126.164 1.786 . . . . 0.0 109.964 -177.926 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.3 t -99.88 110.11 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 178.67 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.33 171.86 7.51 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-O 123.235 1.493 . . . . 0.0 110.677 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -47.52 45.21 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 115.251 -2.309 . . . . 0.0 115.741 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.481 ' HA ' ' CD2' ' A' ' 163' ' ' LEU 0.263 3.2 pp0? -63.25 -35.36 80.08 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-N 123.745 2.975 . . . . 0.0 113.791 178.081 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.92 -30.3 63.78 Favored 'General case' 0 N--CA 1.517 2.906 0 CA-C-N 123.067 2.667 . . . . 0.0 111.781 174.736 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.429 ' CE1' ' HA ' ' A' ' 107' ' ' LEU . 7.6 t80 -60.92 -55.95 26.89 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.664 1.585 . . . . 0.0 112.435 175.714 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.481 ' CD2' ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -80.01 -41.66 25.38 Favored 'General case' 0 CA--C 1.575 1.93 0 CA-C-O 117.472 -1.251 . . . . 0.0 114.045 178.191 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -66.22 -19.9 65.96 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 122.478 2.399 . . . . 0.0 117.36 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.269 4.6 tp . . . . . 0 N--CA 1.508 2.434 0 C-N-CA 130.516 3.526 . . . . 0.0 117.628 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 . . . . . 0 N--CA 1.498 1.974 0 N-CA-C 116.126 1.898 . . . . 0.0 116.126 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.36 -43.63 99.11 Favored Glycine 0 N--CA 1.503 3.125 0 CA-C-N 121.052 1.751 . . . . 0.0 114.887 175.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.22 -47.52 70.58 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.321 1.048 . . . . 0.0 111.604 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -41.2 78.78 Favored 'General case' 0 CA--C 1.585 2.301 0 C-N-CA 124.162 0.985 . . . . 0.0 110.629 175.766 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . 0.584 HD12 ' OG1' ' A' ' 94' ' ' THR . 2.1 tm? -57.83 -57.81 11.12 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 125.661 1.584 . . . . 0.0 112.052 175.12 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.1 t -54.89 -37.32 66.15 Favored 'General case' 0 N--CA 1.507 2.407 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 85.3 t -61.73 -44.76 99.24 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.154 0 O-C-N 120.758 -1.214 . . . . 0.0 110.95 174.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.9 mtt -64.64 -60.04 3.57 Favored 'General case' 0 CA--C 1.587 2.38 0 CA-C-O 122.9 1.333 . . . . 0.0 113.261 176.33 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.584 ' OG1' HD12 ' A' ' 90' ' ' LEU . 34.5 p -80.27 -51.76 8.53 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 120.002 3.334 . . . . 0.0 120.002 -175.045 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.74 -29.47 7.7 Favored 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 117.301 2.334 . . . . 0.0 117.301 -177.874 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -55.07 -28.17 50.33 Favored 'General case' 0 CA--C 1.583 2.23 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 174.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 18.6 ptm -105.19 -62.81 1.3 Allowed 'General case' 0 CA--C 1.573 1.835 0 C-N-CA 124.552 1.141 . . . . 0.0 110.491 176.679 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.0 t -161.43 -144.19 0.1 Allowed 'General case' 0 CA--C 1.583 2.216 0 CA-C-N 120.932 1.697 . . . . 0.0 110.67 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 70.72 143.29 0.05 Allowed 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.92 123.52 1.2 Allowed 'General case' 0 CA--C 1.57 1.712 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.72 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.425 ' O ' ' OG1' ' A' ' 102' ' ' THR . 9.4 m-20 -127.34 -64.01 1.01 Allowed 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 115.289 1.588 . . . . 0.0 115.289 -177.728 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.425 ' OG1' ' O ' ' A' ' 101' ' ' ASP . 65.2 p 91.77 97.18 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.204 0 C-N-CA 126.609 1.964 . . . . 0.0 106.191 -177.121 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt 75.06 -58.05 0.58 Allowed 'General case' 0 N--CA 1.501 2.092 0 C-N-CA 125.971 1.709 . . . . 0.0 115.03 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -46.26 -32.68 3.22 Favored 'General case' 0 CA--C 1.591 2.533 0 N-CA-C 117.471 2.397 . . . . 0.0 117.471 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -26.24 68.56 Favored 'General case' 0 CA--C 1.56 1.347 0 CA-C-O 115.974 -1.965 . . . . 0.0 114.291 175.774 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -41.04 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.731 0 CA-C-N 122.985 2.63 . . . . 0.0 111.087 173.565 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.485 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 3.6 mp -68.94 -44.04 73.86 Favored 'General case' 0 CA--C 1.561 1.404 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . 0.411 ' HZ1' ' CG ' ' A' ' 101' ' ' ASP . 55.0 mtmt -64.64 -42.85 95.17 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-N 119.416 1.007 . . . . 0.0 111.356 174.486 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -57.9 -51.46 69.51 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 177.862 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.464 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.3 t80 -67.13 -43.22 82.91 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-O 118.63 -0.7 . . . . 0.0 111.76 177.344 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -69.03 -31.12 69.68 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 117.333 -1.318 . . . . 0.0 113.384 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.8 -28.53 60.76 Favored 'General case' 0 CA--C 1.574 1.883 0 CA-C-N 122.437 2.381 . . . . 0.0 111.164 171.812 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.76 -37.55 73.86 Favored 'General case' 0 CA--C 1.56 1.35 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 174.027 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -84.17 51.18 2.01 Favored 'General case' 0 CA--C 1.6 2.897 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -43.69 -29.24 0.49 Allowed 'General case' 0 N--CA 1.512 2.642 0 N-CA-C 118.411 2.745 . . . . 0.0 118.411 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -86.73 -56.66 3.3 Favored 'General case' 0 CA--C 1.556 1.185 0 CA-C-O 116.486 -1.721 . . . . 0.0 112.428 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 165.56 -22.54 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.542 0 CA-C-N 121.162 1.801 . . . . 0.0 115.117 -174.95 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.449 ' C ' ' H ' ' A' ' 120' ' ' LYS . 2.7 t -84.3 69.81 10.52 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.148 1.779 . . . . 0.0 112.364 -177.359 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.75 52.66 0.15 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 119.845 2.698 . . . . 0.0 119.845 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . 0.449 ' H ' ' C ' ' A' ' 118' ' ' THR . 4.2 mmpt? -145.49 122.43 11.33 Favored 'General case' 0 CA--C 1.583 2.238 1 N-CA-C 99.175 -4.38 . . . . 0.0 99.175 178.093 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.4 mp -99.72 120.34 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.382 0 CA-C-N 123.836 3.016 . . . . 0.0 109.065 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.0 t -100.16 169.88 8.85 Favored 'General case' 0 CA--C 1.589 2.467 0 CA-C-N 111.591 -2.55 . . . . 0.0 105.651 173.855 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -52.08 -37.91 55.5 Favored 'General case' 0 N--CA 1.511 2.581 0 N-CA-C 117.05 2.241 . . . . 0.0 117.05 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -60.95 -39.4 89.34 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.918 -1.114 . . . . 0.0 113.202 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -37.07 83.46 Favored 'General case' 0 CA--C 1.585 2.309 0 O-C-N 121.596 -0.69 . . . . 0.0 109.729 175.13 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 93.6 mt -53.72 -44.5 69.93 Favored 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 119.884 1.22 . . . . 0.0 110.603 172.762 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -60.93 -44.75 96.77 Favored 'General case' 0 CA--C 1.572 1.808 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.915 174.283 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -50.9 -53.92 28.52 Favored 'General case' 0 N--CA 1.508 2.428 0 CA-C-N 119.682 1.128 . . . . 0.0 112.451 175.62 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 3.5 t -72.59 -32.42 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.55 73.43 Favored 'General case' 0 CA--C 1.57 1.744 0 C-N-CA 124.013 0.925 . . . . 0.0 110.939 175.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -68.37 -33.93 75.14 Favored 'General case' 0 CA--C 1.575 1.941 0 CA-C-N 119.844 1.202 . . . . 0.0 113.53 174.369 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.43 -46.47 80.24 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-N 120.395 1.452 . . . . 0.0 114.891 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.372 5.2 mp -71.05 -54.39 11.33 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.172 2.189 . . . . 0.0 114.104 177.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.65 -47.85 1.21 Allowed Glycine 0 N--CA 1.485 1.916 0 CA-C-O 118.913 -0.937 . . . . 0.0 112.209 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.56 83.82 5.42 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 178.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . 0.282 7.8 p30 -116.35 -134.61 0.34 Allowed 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.554 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.84 -125.41 0.16 Allowed 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 -177.585 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 7.0 t -154.14 163.34 40.27 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.385 -1.447 . . . . 0.0 108.585 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -39.95 -53.69 2.3 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 116.698 2.111 . . . . 0.0 116.698 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.49 -45.06 92.45 Favored 'General case' 0 CA--C 1.575 1.939 0 C-N-CA 125.45 1.5 . . . . 0.0 112.717 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -63.96 -46.73 83.33 Favored 'General case' 0 CA--C 1.583 2.241 0 C-N-CA 124.429 1.092 . . . . 0.0 111.046 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.9 mt -56.57 -37.41 70.55 Favored 'General case' 0 CA--C 1.579 2.072 0 CA-C-N 121.248 1.84 . . . . 0.0 110.891 172.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -70.12 -36.23 74.67 Favored 'General case' 0 CA--C 1.569 1.695 0 CA-C-O 117.649 -1.167 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.06 -38.85 90.33 Favored 'General case' 0 CA--C 1.586 2.356 0 CA-C-N 120.674 1.579 . . . . 0.0 109.941 173.236 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.9 mtt -61.07 -39.67 90.76 Favored 'General case' 0 CA--C 1.584 2.264 0 O-C-N 121.323 -0.861 . . . . 0.0 111.227 173.004 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 5.9 mm -62.16 -56.95 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.621 -1.299 . . . . 0.0 110.302 173.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.75 -39.62 62.34 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -71.58 -39.98 70.23 Favored 'General case' 0 CA--C 1.592 2.587 0 CA-C-N 119.557 1.071 . . . . 0.0 113.397 173.607 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -79.12 -29.99 43.5 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 120.45 3.5 . . . . 0.0 120.45 179.763 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.23 61.86 0.03 OUTLIER 'General case' 0 CA--C 1.588 2.422 0 N-CA-C 118.965 2.95 . . . . 0.0 118.965 -176.278 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -52.75 -38.11 60.42 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 118.736 -2.477 . . . . 0.0 114.33 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -32.31 73.15 Favored 'General case' 0 CA--C 1.579 2.093 0 CA-C-O 118.083 -0.96 . . . . 0.0 113.208 176.09 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 93.9 112.78 2.33 Favored Glycine 0 CA--C 1.553 2.421 0 N-CA-C 117.515 1.766 . . . . 0.0 117.515 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . 0.265 15.3 t70 123.07 -57.13 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.38 0 C-N-CA 127.573 2.349 . . . . 0.0 108.567 178.502 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 175.34 48.89 0.06 OUTLIER Glycine 0 N--CA 1.482 1.705 0 N-CA-C 120.139 2.816 . . . . 0.0 120.139 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.0 145.46 15.3 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 121.31 2.555 . . . . 0.0 114.107 178.055 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 20.2 t -99.87 123.55 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 179.371 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.6 m -100.83 176.41 5.3 Favored 'General case' 0 CA--C 1.573 1.836 0 CA-C-O 124.718 2.199 . . . . 0.0 113.589 -177.742 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.275 81.3 tt0 -52.81 -50.08 64.39 Favored 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 112.541 -2.118 . . . . 0.0 115.322 -178.771 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.4 mp0 -65.5 -31.46 72.55 Favored 'General case' 0 CA--C 1.585 2.298 0 CA-C-N 122.521 2.418 . . . . 0.0 110.965 175.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -67.33 -28.94 68.39 Favored 'General case' 0 N--CA 1.519 2.98 0 CA-C-N 122.893 2.588 . . . . 0.0 112.868 176.662 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.485 ' CE1' ' HA ' ' A' ' 107' ' ' LEU 0.276 5.3 t80 -68.96 -40.81 78.69 Favored 'General case' 0 CA--C 1.583 2.228 0 C-N-CA 127.652 2.381 . . . . 0.0 111.768 171.855 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.38 -32.75 55.14 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 126.968 2.107 . . . . 0.0 113.632 177.284 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -46.91 -19.95 0.12 Allowed 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 116.605 2.076 . . . . 0.0 116.605 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.1 tp . . . . . 0 CA--C 1.592 2.558 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 175.674 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 CA--C 1.582 2.178 0 CA-C-O 116.773 -1.584 . . . . 0.0 114.433 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.05 -42.82 94.39 Favored Glycine 0 N--CA 1.498 2.795 0 CA-C-N 123.447 2.84 . . . . 0.0 114.183 176.647 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -64.33 -41.96 96.52 Favored 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 124.247 1.019 . . . . 0.0 110.909 176.088 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -58.23 -49.62 76.45 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 120.459 1.481 . . . . 0.0 108.296 173.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.5 tt -50.4 -56.39 11.63 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 124.467 1.107 . . . . 0.0 113.829 176.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.4 m -57.37 -39.37 75.88 Favored 'General case' 0 N--CA 1.502 2.152 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -43.79 92.28 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.831 0 C-N-CA 125.235 1.414 . . . . 0.0 111.445 175.472 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.523 ' SD ' HD23 ' A' ' 137' ' ' LEU . 27.0 mmt -59.06 -50.9 72.31 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 123.836 0.855 . . . . 0.0 110.896 175.602 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.8 p -68.69 -26.7 65.42 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 61.77 47.93 5.85 Favored 'General case' 0 CA--C 1.574 1.885 0 C-N-CA 126.817 2.047 . . . . 0.0 112.299 -177.124 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -129.56 162.56 27.93 Favored 'General case' 0 N--CA 1.496 1.825 0 CA-C-O 121.883 0.849 . . . . 0.0 111.55 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.6 ttt -76.04 100.57 4.97 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.167 -1.583 . . . . 0.0 112.203 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.9 t 70.6 -69.61 0.17 Allowed 'General case' 0 N--CA 1.503 2.209 0 C-N-CA 125.28 1.432 . . . . 0.0 112.838 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 63.96 -60.03 0.19 Allowed 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 119.014 2.968 . . . . 0.0 119.014 177.901 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -139.61 138.37 36.11 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 120.868 1.667 . . . . 0.0 115.248 -177.38 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 52.97 152.57 0.0 OUTLIER 'General case' 0 CA--C 1.583 2.22 1 N-CA-C 121.916 4.043 . . . . 0.0 121.916 175.213 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 40.0 p -145.89 104.22 3.83 Favored 'General case' 0 N--CA 1.497 1.892 1 N-CA-C 99.21 -4.367 . . . . 0.0 99.21 176.571 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER 73.63 172.65 0.29 Allowed 'General case' 0 N--CA 1.513 2.678 0 C-N-CA 124.544 1.138 . . . . 0.0 108.772 -172.038 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 72.87 -55.62 0.68 Allowed 'General case' 0 N--CA 1.531 3.589 0 CA-C-N 123.979 3.082 . . . . 0.0 110.503 -174.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.94 -36.5 12.57 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 128.021 2.528 . . . . 0.0 114.583 176.151 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 58.2 mt -63.9 -53.6 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 CA-C-N 121.926 2.148 . . . . 0.0 109.089 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . 0.263 0.2 OUTLIER -69.64 -40.53 76.46 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 179.653 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -69.03 -45.87 69.39 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-O 116.973 -1.489 . . . . 0.0 112.619 175.808 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.24 -46.0 68.4 Favored 'General case' 0 C--N 1.365 1.256 0 CA-C-N 121.867 2.121 . . . . 0.0 111.519 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.446 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 13.7 t80 -64.02 -43.9 94.18 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 122.543 2.429 . . . . 0.0 112.966 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -66.52 -36.68 83.29 Favored 'General case' 0 CA--C 1.586 2.361 0 CA-C-N 120.743 1.611 . . . . 0.0 111.414 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.9 mt -78.8 -19.92 50.99 Favored 'General case' 0 CA--C 1.586 2.343 0 CA-C-N 122.536 2.425 . . . . 0.0 113.268 174.642 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -40.29 88.11 Favored 'General case' 0 CA--C 1.568 1.665 0 C-N-CA 126.026 1.73 . . . . 0.0 110.128 171.876 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -79.21 80.39 5.57 Favored 'General case' 0 CA--C 1.594 2.65 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -19.51 0.04 OUTLIER 'General case' 0 N--CA 1.513 2.68 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 175.118 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -92.77 -1.79 56.51 Favored 'General case' 0 CA--C 1.591 2.523 0 CA-C-N 120.8 1.637 . . . . 0.0 112.441 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 70.5 -5.1 1.46 Allowed 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.717 ' HG1' ' N ' ' A' ' 119' ' ' GLY . 11.9 p -65.66 -51.29 60.68 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 125.825 1.65 . . . . 0.0 110.366 177.127 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.717 ' N ' ' HG1' ' A' ' 118' ' ' THR . . . 101.15 73.07 1.01 Allowed Glycine 0 CA--C 1.536 1.388 0 N-CA-C 115.231 0.853 . . . . 0.0 115.231 179.542 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -159.36 113.48 2.34 Favored 'General case' 0 CA--C 1.565 1.548 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 177.18 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.4 mp -99.79 124.89 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.401 0 CA-C-O 124.054 1.883 . . . . 0.0 111.154 -176.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' SER . . . . . 0.409 ' H ' ' ND2' ' A' ' 125' ' ' ASN . 82.3 p -106.11 169.17 8.66 Favored 'General case' 0 CA--C 1.578 2.025 0 CA-C-N 110.314 -3.13 . . . . 0.0 106.473 174.027 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -52.99 -33.49 51.7 Favored 'General case' 0 CA--C 1.583 2.238 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -44.47 93.39 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 177.351 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . 0.409 ' ND2' ' H ' ' A' ' 122' ' ' SER . 0.2 OUTLIER -60.62 -42.87 97.75 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.67 175.836 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 78.8 mt -53.87 -46.29 71.27 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 119.529 1.059 . . . . 0.0 112.241 174.085 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -58.5 -50.79 72.48 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 117.44 -1.267 . . . . 0.0 113.043 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -60.02 -45.15 93.72 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-O 117.191 -1.385 . . . . 0.0 112.206 177.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -54.94 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-N 120.735 1.607 . . . . 0.0 110.312 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.439 ' HA ' ' SD ' ' A' ' 93' ' ' MET . . . -43.8 -42.18 5.43 Favored 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 115.721 1.748 . . . . 0.0 115.721 177.572 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -22.21 42.5 Favored 'General case' 0 CA--C 1.594 2.643 0 CA-C-N 120.036 1.289 . . . . 0.0 113.05 172.235 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -75.46 -42.9 52.05 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 119.432 3.123 . . . . 0.0 119.432 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.28 -47.19 84.43 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 161.68 -42.5 0.39 Allowed Glycine 0 N--CA 1.487 2.053 0 N-CA-C 117.364 1.706 . . . . 0.0 117.364 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -123.13 122.21 37.88 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-N 119.383 1.591 . . . . 0.0 109.32 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -83.54 150.82 25.72 Favored 'General case' 0 CA--C 1.573 1.852 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . 0.523 HD23 ' SD ' ' A' ' 93' ' ' MET . 0.3 OUTLIER -119.09 -130.79 0.3 Allowed 'General case' 0 CA--C 1.567 1.627 0 C-N-CA 125.692 1.597 . . . . 0.0 108.43 -178.7 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.0 t -152.98 160.61 43.04 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 126.221 2.915 . . . . 0.0 111.581 179.018 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -43.21 -52.06 5.8 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-N 109.468 -3.514 . . . . 0.0 115.932 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -60.23 -42.32 94.97 Favored 'General case' 0 CA--C 1.569 1.673 0 C-N-CA 125.463 1.505 . . . . 0.0 113.643 178.682 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -59.27 -51.34 70.4 Favored 'General case' 0 CA--C 1.584 2.283 0 C-N-CA 123.95 0.9 . . . . 0.0 109.93 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 2.8 mp -57.56 -43.07 84.22 Favored 'General case' 0 CA--C 1.56 1.338 0 O-C-N 120.137 -1.602 . . . . 0.0 114.312 174.714 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.515 HE22 ' CG2' ' A' ' 146' ' ' ILE 0.274 1.0 OUTLIER -67.45 -32.51 73.41 Favored 'General case' 0 CA--C 1.567 1.613 0 CA-C-N 119.997 1.271 . . . . 0.0 112.185 178.855 . . . . . . . . 4 4 . 1 . 018 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.11 -42.13 98.92 Favored 'General case' 0 CA--C 1.587 2.371 0 CA-C-N 120.715 1.598 . . . . 0.0 109.903 173.072 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 38.6 mmt -59.66 -43.46 93.93 Favored 'General case' 0 CA--C 1.58 2.097 0 C-N-CA 123.592 0.757 . . . . 0.0 112.11 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.515 ' CG2' HE22 ' A' ' 143' ' ' GLN . 14.8 mm -59.81 -54.88 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 124.948 1.299 . . . . 0.0 111.319 175.316 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.76 -39.55 71.34 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 118.293 -0.86 . . . . 0.0 113.306 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -69.25 -38.27 78.36 Favored 'General case' 0 CA--C 1.597 2.785 0 CA-C-N 120.337 1.426 . . . . 0.0 113.561 173.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -74.7 -40.4 61.37 Favored 'General case' 0 CA--C 1.574 1.888 0 N-CA-C 118.906 2.928 . . . . 0.0 118.906 179.5 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.293 26.1 t70 -67.8 49.42 0.05 Allowed 'General case' 0 CA--C 1.594 2.651 0 C-N-CA 126.903 2.081 . . . . 0.0 115.743 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.293 3.4 tmm_? -39.78 -50.11 2.36 Favored 'General case' 0 N--CA 1.51 2.546 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -173.768 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -142.97 55.08 1.38 Allowed 'General case' 0 CA--C 1.578 2.051 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 173.123 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -114.25 -141.58 7.75 Favored Glycine 0 CA--C 1.563 3.054 0 CA-C-N 122.434 2.379 . . . . 0.0 114.214 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -129.44 42.53 3.28 Favored 'General case' 0 CA--C 1.599 2.846 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 76.95 31.0 54.95 Favored Glycine 1 CA--C 1.58 4.133 0 CA-C-N 124.11 3.141 . . . . 0.0 110.107 -169.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -160.05 154.66 24.06 Favored 'General case' 0 CA--C 1.579 2.085 0 C-N-CA 126.21 1.804 . . . . 0.0 111.488 -175.379 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 9.7 t -99.84 121.63 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.378 0 O-C-N 119.921 -1.737 . . . . 0.0 108.283 -176.235 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.4 p -99.85 172.48 7.22 Favored 'General case' 0 CA--C 1.575 1.907 0 CA-C-O 123.602 1.668 . . . . 0.0 111.984 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.9 -50.03 8.17 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 116.264 1.95 . . . . 0.0 116.264 178.378 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . 0.26 3.1 pt20 -61.17 -40.12 92.7 Favored 'General case' 0 CA--C 1.581 2.169 0 CA-C-N 122.06 2.209 . . . . 0.0 113.431 178.396 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.59 -30.56 67.27 Favored 'General case' 0 CA--C 1.586 2.355 0 CA-C-N 120.487 1.494 . . . . 0.0 111.71 173.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.446 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 1.6 t80 -64.84 -45.77 84.71 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 175.322 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.98 -47.62 14.67 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 117.318 -1.325 . . . . 0.0 112.123 -176.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -79.97 -60.21 2.43 Favored 'General case' 0 CA--C 1.566 1.573 0 CA-C-N 121.071 1.76 . . . . 0.0 113.152 177.529 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.3 tp . . . . . 0 CA--C 1.587 2.379 0 C-N-CA 130.992 3.717 . . . . 0.0 108.496 -177.126 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 117.86 -1.067 . . . . 0.0 113.528 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.1 -49.44 71.61 Favored Glycine 0 N--CA 1.489 2.189 0 CA-C-N 120.812 1.642 . . . . 0.0 114.091 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.44 -51.69 66.5 Favored 'General case' 0 CA--C 1.572 1.796 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.756 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -50.74 -45.76 58.85 Favored 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.931 1.242 . . . . 0.0 112.224 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.12 -56.58 20.34 Favored 'General case' 0 CA--C 1.565 1.539 0 C-N-CA 124.726 1.21 . . . . 0.0 110.454 174.233 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.672 ' HG1' HG22 ' A' ' 102' ' ' THR . 2.9 m -50.11 -40.37 45.72 Favored 'General case' 0 N--CA 1.5 2.063 0 C-N-CA 125.065 1.346 . . . . 0.0 113.755 176.47 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.32 -49.57 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 C-N-CA 124.773 1.229 . . . . 0.0 109.362 174.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.404 ' HG2' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -63.2 -44.92 93.99 Favored 'General case' 0 CA--C 1.581 2.147 0 CA-C-N 119.114 0.87 . . . . 0.0 111.197 174.023 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.535 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 65.5 p -57.2 -47.51 81.09 Favored 'General case' 0 N--CA 1.505 2.298 0 C-N-CA 124.643 1.177 . . . . 0.0 111.811 176.014 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -60.79 -46.31 91.01 Favored 'General case' 0 CA--C 1.569 1.706 0 C-N-CA 124.203 1.001 . . . . 0.0 112.659 176.365 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -70.6 -36.91 73.77 Favored 'General case' 0 CA--C 1.578 2.029 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 9.7 tpt -85.97 -29.98 23.11 Favored 'General case' 0 CA--C 1.578 2.036 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 178.175 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.0 t 79.69 76.68 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 127.293 2.237 . . . . 0.0 113.821 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -129.83 -77.37 0.54 Allowed 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 117.39 -1.29 . . . . 0.0 112.62 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.32 178.61 10.11 Favored 'General case' 0 CA--C 1.583 2.22 0 CA-C-N 122.564 2.438 . . . . 0.0 115.684 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.87 174.73 1.75 Allowed 'General case' 0 CA--C 1.579 2.073 0 N-CA-C 118.669 2.84 . . . . 0.0 118.669 -179.067 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.672 HG22 ' HG1' ' A' ' 91' ' ' THR . 8.1 m -99.72 -176.18 3.19 Favored 'General case' 0 CA--C 1.582 2.182 0 C-N-CA 124.927 1.291 . . . . 0.0 113.592 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.256 0.0 OUTLIER 69.82 159.74 0.19 Allowed 'General case' 0 N--CA 1.512 2.643 0 C-N-CA 126.553 1.941 . . . . 0.0 112.63 -179.858 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 69.31 -48.97 0.6 Allowed 'General case' 0 N--CA 1.533 3.717 0 CA-C-N 123.138 2.699 . . . . 0.0 113.586 -173.514 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -71.86 -19.97 61.88 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 127.505 2.322 . . . . 0.0 113.524 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.3 OUTLIER -46.62 -42.27 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.936 0 CA-C-N 123.847 3.022 . . . . 0.0 112.463 175.728 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.3 mp -70.47 -43.5 69.68 Favored 'General case' 0 CA--C 1.564 1.512 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 177.698 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -68.95 -38.75 79.62 Favored 'General case' 0 CA--C 1.564 1.508 0 CA-C-O 117.817 -1.087 . . . . 0.0 112.273 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.02 -48.24 71.81 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-N 120.964 1.711 . . . . 0.0 112.415 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.5 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.7 t80 -66.65 -46.32 76.12 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 121.1 1.773 . . . . 0.0 111.357 176.857 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -32.23 73.79 Favored 'General case' 0 CA--C 1.578 2.044 0 CA-C-N 120.272 1.396 . . . . 0.0 112.305 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 46.9 mt -76.57 -19.91 57.38 Favored 'General case' 0 CA--C 1.59 2.512 0 CA-C-N 122.004 2.184 . . . . 0.0 111.387 172.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -46.65 74.77 Favored 'General case' 0 CA--C 1.568 1.66 0 CA-C-N 121.558 1.981 . . . . 0.0 112.01 172.659 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -80.39 71.98 7.23 Favored 'General case' 0 CA--C 1.585 2.303 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -48.67 -16.85 0.13 Allowed 'General case' 0 CA--C 1.598 2.818 0 N-CA-C 117.021 2.23 . . . . 0.0 117.021 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -95.22 3.7 54.33 Favored 'General case' 0 CA--C 1.59 2.493 0 CA-C-N 120.554 1.525 . . . . 0.0 112.072 176.771 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 69.36 -3.72 1.51 Allowed 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 118.905 2.928 . . . . 0.0 118.905 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.5 t -75.97 -26.86 57.19 Favored 'General case' 0 CA--C 1.567 1.604 0 O-C-N 120.452 -1.405 . . . . 0.0 113.934 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 75.15 67.33 1.75 Allowed Glycine 0 C--N 1.355 1.637 0 N-CA-C 118.663 2.225 . . . . 0.0 118.663 177.551 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.0 109.89 4.31 Favored 'General case' 0 CA--C 1.579 2.058 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -104.42 123.26 58.2 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.408 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 177.026 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.58 165.72 10.86 Favored 'General case' 0 CA--C 1.581 2.135 0 CA-C-N 112.366 -2.197 . . . . 0.0 107.222 175.556 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -44.89 -45.25 10.22 Favored 'General case' 0 N--CA 1.511 2.598 0 N-CA-C 119.091 2.997 . . . . 0.0 119.091 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -62.62 -44.8 95.39 Favored 'General case' 0 CA--C 1.579 2.085 0 CA-C-N 114.086 -1.415 . . . . 0.0 112.237 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.262 0.7 OUTLIER -67.21 -31.26 71.53 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 119.909 1.231 . . . . 0.0 108.755 174.901 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.1 mt -54.87 -44.67 74.24 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-N 122.363 2.347 . . . . 0.0 110.68 171.398 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -56.59 -50.55 71.62 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 124.514 1.126 . . . . 0.0 112.41 175.293 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -47.65 85.08 Favored 'General case' 0 N--CA 1.504 2.265 0 CA-C-O 117.304 -1.332 . . . . 0.0 111.975 177.335 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.2 t -66.96 -33.49 63.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 CA-C-N 119.988 1.267 . . . . 0.0 112.133 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.98 -50.53 72.4 Favored 'General case' 0 CA--C 1.569 1.682 0 CA-C-N 119.656 1.116 . . . . 0.0 111.426 175.123 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -77.34 -33.1 55.49 Favored 'General case' 0 CA--C 1.587 2.391 0 CA-C-N 120.197 1.362 . . . . 0.0 114.61 174.643 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -72.22 -22.3 61.28 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 117.346 2.35 . . . . 0.0 117.346 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.404 ' CD1' ' HG2' ' A' ' 93' ' ' MET . 12.4 mt -71.71 -72.38 0.23 Allowed 'General case' 0 CA--C 1.564 1.515 0 C-N-CA 124.775 1.23 . . . . 0.0 111.641 178.04 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -159.78 -48.33 0.01 OUTLIER Glycine 0 N--CA 1.487 2.073 0 CA-C-O 118.622 -1.099 . . . . 0.0 115.363 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.98 139.69 32.5 Favored 'General case' 0 CA--C 1.574 1.886 0 CA-C-N 119.375 1.587 . . . . 0.0 106.734 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -67.13 167.05 12.74 Favored 'General case' 0 CA--C 1.579 2.077 0 N-CA-C 119.417 3.117 . . . . 0.0 119.417 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 5.7 tp -136.96 131.93 33.68 Favored 'General case' 0 CA--C 1.575 1.934 0 N-CA-C 104.422 -2.436 . . . . 0.0 104.422 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.3 t -78.98 166.45 22.35 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 123.533 1.635 . . . . 0.0 114.359 -175.325 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -40.15 -52.15 2.59 Favored 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.65 -45.84 90.96 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 125.235 1.414 . . . . 0.0 112.212 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -56.24 -55.55 31.92 Favored 'General case' 0 N--CA 1.507 2.404 0 CA-C-O 122.341 1.067 . . . . 0.0 112.024 176.134 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 16.2 mt -58.17 -35.97 72.36 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 124.833 1.253 . . . . 0.0 112.984 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.261 22.4 tp60 -72.43 -36.69 68.65 Favored 'General case' 0 CA--C 1.566 1.57 0 CA-C-N 120.441 1.473 . . . . 0.0 111.131 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.52 -41.34 94.19 Favored 'General case' 0 CA--C 1.587 2.396 0 CA-C-N 120.741 1.609 . . . . 0.0 110.116 172.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.3 mmt -60.28 -42.32 95.21 Favored 'General case' 0 CA--C 1.579 2.068 0 C-N-CA 123.34 0.656 . . . . 0.0 111.598 174.317 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.5 mm -58.39 -60.11 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-O 116.604 -1.665 . . . . 0.0 110.447 175.345 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -55.88 -41.72 74.88 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 116.933 -1.508 . . . . 0.0 113.186 -177.67 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -39.27 86.56 Favored 'General case' 0 N--CA 1.515 2.792 0 CA-C-N 122.736 2.516 . . . . 0.0 112.97 174.31 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . 0.261 . . -80.04 -26.48 39.72 Favored 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 120.268 3.433 . . . . 0.0 120.268 177.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -72.82 12.66 0.48 Allowed 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 121.644 3.942 . . . . 0.0 121.644 -175.833 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.278 0.3 OUTLIER -45.53 -44.22 12.51 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 121.308 3.818 . . . . 0.0 121.308 -172.702 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -116.12 50.83 1.0 Allowed 'General case' 0 CA--C 1.575 1.921 0 CA-C-N 119.494 1.043 . . . . 0.0 109.448 175.51 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -148.73 -144.39 3.95 Favored Glycine 0 CA--C 1.563 3.033 0 O-C-N 119.803 -1.811 . . . . 0.0 113.845 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -129.5 47.49 2.49 Favored 'General case' 0 CA--C 1.599 2.841 0 N-CA-C 104.16 -2.533 . . . . 0.0 104.16 -178.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 82.59 31.69 29.49 Favored Glycine 0 CA--C 1.571 3.551 0 CA-C-N 124.54 3.336 . . . . 0.0 113.071 -173.743 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -152.05 154.77 36.61 Favored 'General case' 0 CA--C 1.568 1.641 0 C-N-CA 126.455 1.902 . . . . 0.0 108.84 -178.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.3 t -99.8 125.39 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.662 -1.273 . . . . 0.0 110.112 -175.141 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -100.02 170.4 8.52 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 125.289 1.436 . . . . 0.0 111.567 -179.649 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.287 0.0 OUTLIER -54.07 -46.71 72.06 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -178.608 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -67.27 -33.25 74.92 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 119.516 -1.99 . . . . 0.0 112.288 176.43 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.262 2.3 pt-20 -73.05 -23.25 60.55 Favored 'General case' 0 CA--C 1.604 3.041 0 CA-C-N 121.619 2.009 . . . . 0.0 110.411 172.693 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.5 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.2 OUTLIER -65.45 -41.86 92.98 Favored 'General case' 0 N--CA 1.508 2.458 0 C-N-CA 126.75 2.02 . . . . 0.0 111.427 170.945 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -77.02 -28.72 55.04 Favored 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 126.803 2.041 . . . . 0.0 112.616 176.154 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -21.16 1.33 Allowed 'General case' 0 N--CA 1.504 2.228 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.575 1.926 0 C-N-CA 125.256 1.422 . . . . 0.0 114.126 175.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 116.396 -1.764 . . . . 0.0 115.159 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -53.95 -33.12 49.96 Favored Glycine 0 N--CA 1.498 2.772 0 CA-C-N 122.616 2.462 . . . . 0.0 116.603 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -70.0 -54.32 13.76 Favored 'General case' 0 CA--C 1.578 2.033 0 C-N-CA 123.859 0.863 . . . . 0.0 110.437 175.608 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -56.65 -43.73 80.62 Favored 'General case' 0 N--CA 1.512 2.64 0 CA-C-N 121.051 1.75 . . . . 0.0 111.179 174.171 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.63 -55.18 38.34 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 125.282 1.433 . . . . 0.0 113.043 175.153 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.5 t -56.22 -40.19 73.67 Favored 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 118.724 0.693 . . . . 0.0 112.273 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 61.2 t -56.89 -50.28 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.199 0 C-N-CA 124.43 1.092 . . . . 0.0 110.388 174.096 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.1 tpp -64.12 -41.51 97.21 Favored 'General case' 0 CA--C 1.58 2.11 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.3 p -73.78 -53.57 9.99 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 124.082 0.953 . . . . 0.0 112.221 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -49.57 -37.61 28.05 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -79.04 87.16 4.84 Favored 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 105.72 -1.955 . . . . 0.0 105.72 176.558 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 37.0 mmt 107.32 20.18 0.0 OUTLIER 'General case' 0 CA--C 1.6 2.889 0 C-N-CA 129.124 2.97 . . . . 0.0 111.307 -174.547 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.1 t 63.12 -75.14 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 117.116 2.265 . . . . 0.0 117.116 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . 0.428 ' CD ' ' HZ2' ' A' ' 100' ' ' LYS 0.275 4.6 mm-40 59.85 -113.73 0.64 Allowed 'General case' 0 CA--C 1.577 1.985 0 CA-C-O 116.886 -1.531 . . . . 0.0 113.635 -178.475 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.428 ' HZ2' ' CD ' ' A' ' 99' ' ' GLU . 0.0 OUTLIER -162.1 -128.18 0.02 OUTLIER 'General case' 0 CA--C 1.583 2.244 0 CA-C-N 123.028 2.649 . . . . 0.0 111.955 -178.157 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.281 73.3 m-20 70.08 -132.37 0.06 Allowed 'General case' 0 CA--C 1.578 2.04 0 C-N-CA 127.384 2.274 . . . . 0.0 116.405 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.8 m 73.89 107.97 0.07 Allowed 'General case' 0 N--CA 1.51 2.536 0 CA-C-N 120.998 1.726 . . . . 0.0 109.249 -176.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER 60.6 160.55 0.05 OUTLIER 'General case' 0 N--CA 1.515 2.809 0 C-N-CA 127.436 2.294 . . . . 0.0 115.256 -176.203 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 67.46 -47.87 0.5 Allowed 'General case' 0 N--CA 1.535 3.777 0 CA-C-N 123.201 2.728 . . . . 0.0 110.676 -171.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.38 -33.78 14.55 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 128.452 2.701 . . . . 0.0 115.053 175.064 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.42 -48.0 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 CA-C-N 123.114 2.688 . . . . 0.0 108.53 175.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 mp -70.89 -43.46 68.3 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -70.12 -40.5 74.83 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 116.782 -1.58 . . . . 0.0 113.537 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.1 -39.37 72.12 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 122.244 2.293 . . . . 0.0 112.342 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.446 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 5.8 t80 -69.85 -47.07 64.08 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 121.455 1.934 . . . . 0.0 111.963 177.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -65.24 -36.09 83.05 Favored 'General case' 0 CA--C 1.587 2.393 0 CA-C-N 120.587 1.54 . . . . 0.0 110.321 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.5 mt -75.28 -20.01 59.38 Favored 'General case' 0 CA--C 1.584 2.264 0 CA-C-N 122.244 2.293 . . . . 0.0 112.916 174.18 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 6.4 m-85 -64.46 -45.98 85.07 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 122.157 2.253 . . . . 0.0 110.102 171.123 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -78.43 86.01 4.5 Favored 'General case' 0 CA--C 1.592 2.569 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -47.57 -14.29 0.04 OUTLIER 'General case' 0 CA--C 1.599 2.844 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -105.1 -1.51 25.48 Favored 'General case' 0 CA--C 1.595 2.683 0 C-N-CA 125.36 1.464 . . . . 0.0 112.106 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 73.03 -2.07 2.84 Favored 'General case' 0 CA--C 1.584 2.258 0 N-CA-C 117.649 2.463 . . . . 0.0 117.649 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' THR . . . . . 0.423 ' HG1' ' N ' ' A' ' 119' ' ' GLY . 9.4 p -57.39 -41.75 80.85 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 119.281 -2.137 . . . . 0.0 112.328 176.865 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . 0.423 ' N ' ' HG1' ' A' ' 118' ' ' THR . . . 92.45 72.75 1.22 Allowed Glycine 0 CA--C 1.534 1.247 0 N-CA-C 116.8 1.48 . . . . 0.0 116.8 178.78 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.06 110.06 4.12 Favored 'General case' 0 CA--C 1.58 2.112 0 CA-C-O 118.57 -0.728 . . . . 0.0 111.742 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -111.23 128.06 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.355 0 CA-C-N 121.474 1.943 . . . . 0.0 109.015 178.136 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.6 p -108.95 172.24 6.96 Favored 'General case' 0 CA--C 1.584 2.255 0 CA-C-N 112.272 -2.24 . . . . 0.0 107.159 172.533 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -49.38 -43.51 44.27 Favored 'General case' 0 N--CA 1.516 2.874 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 -179.879 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -50.08 56.48 Favored 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -68.86 -34.11 74.91 Favored 'General case' 0 N--CA 1.503 2.207 0 CA-C-O 116.959 -1.495 . . . . 0.0 109.913 175.475 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 69.9 mt -58.02 -38.53 76.35 Favored 'General case' 0 N--CA 1.502 2.16 0 CA-C-N 122.629 2.468 . . . . 0.0 112.86 175.129 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.333 11.9 ptpt -74.42 -33.97 63.13 Favored 'General case' 0 CA--C 1.575 1.937 0 CA-C-O 114.652 -2.594 . . . . 0.0 109.628 175.099 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . 0.28 0.6 OUTLIER -60.72 -49.2 78.47 Favored 'General case' 0 N--CA 1.512 2.648 0 CA-C-N 124.785 3.448 . . . . 0.0 110.067 173.191 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.1 OUTLIER -56.21 -45.05 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 120.411 1.46 . . . . 0.0 113.111 178.242 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.94 -49.52 71.16 Favored 'General case' 0 CA--C 1.573 1.85 0 CA-C-O 118.387 -0.816 . . . . 0.0 112.648 176.398 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -20.98 44.07 Favored 'General case' 0 CA--C 1.584 2.272 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 174.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -79.96 -32.1 39.9 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.8 mt -75.25 -74.36 0.21 Allowed 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 124.868 1.267 . . . . 0.0 112.283 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -163.37 -44.98 0.02 OUTLIER Glycine 0 N--CA 1.488 2.13 0 CA-C-O 117.54 -1.7 . . . . 0.0 117.175 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -129.29 109.33 11.02 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 120.563 2.181 . . . . 0.0 112.312 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -78.76 122.62 26.25 Favored 'General case' 0 CA--C 1.566 1.559 0 O-C-N 120.943 -1.098 . . . . 0.0 110.747 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 49.5 mt -80.84 -111.61 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.1 t -150.78 156.4 41.2 Favored 'General case' 0 CA--C 1.561 1.381 0 CA-C-O 126.986 3.279 . . . . 0.0 110.623 178.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -41.56 -48.6 4.0 Favored 'General case' 0 CA--C 1.572 1.814 0 CA-C-N 109.082 -3.69 . . . . 0.0 116.964 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -42.45 96.78 Favored 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 125.121 1.368 . . . . 0.0 113.224 178.579 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -57.34 -51.76 68.09 Favored 'General case' 0 CA--C 1.578 2.058 0 C-N-CA 124.819 1.248 . . . . 0.0 110.148 174.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 1.2 mp -60.47 -49.63 76.78 Favored 'General case' 0 CA--C 1.564 1.498 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 176.04 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -66.23 -33.61 76.14 Favored 'General case' 0 CA--C 1.577 2.016 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.899 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -64.75 -39.84 94.3 Favored 'General case' 0 CA--C 1.583 2.227 0 CA-C-N 120.545 1.521 . . . . 0.0 109.34 173.491 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 21.8 mmt -58.48 -39.54 80.26 Favored 'General case' 0 CA--C 1.578 2.057 0 CA-C-N 119.555 1.071 . . . . 0.0 110.699 173.165 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 16.7 mm -58.04 -53.5 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 124.631 1.172 . . . . 0.0 110.407 173.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -55.15 -37.66 67.25 Favored 'General case' 0 N--CA 1.503 2.219 0 CA-C-N 119.598 1.09 . . . . 0.0 113.226 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -65.02 -48.14 74.94 Favored 'General case' 0 N--CA 1.512 2.647 0 CA-C-O 122.866 1.317 . . . . 0.0 112.432 172.546 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -69.54 -32.1 70.71 Favored 'General case' 0 CA--C 1.574 1.895 0 N-CA-C 120.293 3.442 . . . . 0.0 120.293 -179.403 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -78.56 62.8 3.22 Favored 'General case' 0 CA--C 1.594 2.668 0 C-N-CA 125.791 1.636 . . . . 0.0 112.022 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.55 -44.19 69.04 Favored 'General case' 0 CA--C 1.561 1.39 0 O-C-N 118.245 -2.784 . . . . 0.0 115.832 -178.195 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -66.49 -30.22 70.51 Favored 'General case' 0 CA--C 1.585 2.317 0 CA-C-N 119.923 1.238 . . . . 0.0 112.785 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 90.14 22.22 36.09 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 120.693 3.037 . . . . 0.0 120.693 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -90.33 -30.95 17.13 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 119.843 1.821 . . . . 0.0 112.717 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 148.18 -22.27 1.4 Allowed Glycine 0 CA--C 1.55 2.251 0 N-CA-C 118.288 2.075 . . . . 0.0 118.288 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.82 177.54 7.17 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-O 123.221 1.486 . . . . 0.0 110.962 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 4.6 t -101.55 121.21 52.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 179.459 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 35.8 m -99.97 170.93 8.17 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-O 122.05 0.928 . . . . 0.0 112.573 -178.594 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.274 9.3 pt-20 -59.75 -41.53 91.18 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -177.795 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -36.92 80.53 Favored 'General case' 0 CA--C 1.582 2.197 0 CA-C-N 121.454 1.933 . . . . 0.0 112.413 175.077 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -20.01 58.65 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.4 -1.437 . . . . 0.0 112.943 176.758 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.446 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.2 OUTLIER -71.63 -57.5 4.33 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.009 1.724 . . . . 0.0 110.578 174.791 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -60.03 2.49 Favored 'General case' 0 CA--C 1.572 1.794 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . 0.252 6.6 ptt-85 -80.19 -40.37 27.37 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 121.625 3.935 . . . . 0.0 121.625 -175.156 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.4 tp . . . . . 0 N--CA 1.523 3.221 0 CA-C-N 125.667 3.849 . . . . 0.0 118.388 -178.982 . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 CA--C 1.599 2.852 1 N-CA-C 99.799 -4.148 . . . . 0.0 99.799 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -39.79 -38.37 1.11 Allowed Glycine 0 N--CA 1.512 3.736 0 CA-C-N 124.68 3.4 . . . . 0.0 118.435 -177.92 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -70.19 -52.62 21.96 Favored 'General case' 0 CA--C 1.58 2.114 0 CA-C-O 117.077 -1.439 . . . . 0.0 108.616 171.972 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.01 -40.6 76.96 Favored 'General case' 0 CA--C 1.6 2.884 0 CA-C-N 122.77 2.532 . . . . 0.0 112.385 175.04 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 tt -58.64 -60.05 4.44 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.002 1.721 . . . . 0.0 111.541 176.175 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.557 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 4.9 m -53.6 -40.19 65.52 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 178.668 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 69.9 t -60.76 -42.94 94.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 123.698 0.799 . . . . 0.0 111.685 175.41 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.447 ' CG ' ' HB3' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -78.1 -46.2 21.38 Favored 'General case' 0 CA--C 1.587 2.374 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 175.993 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.557 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 46.5 p -49.17 -32.79 10.86 Favored 'General case' 0 N--CA 1.51 2.555 0 C-N-CA 127.216 2.206 . . . . 0.0 115.46 179.452 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -53.82 -25.23 18.42 Favored 'General case' 0 CA--C 1.585 2.314 0 CA-C-N 120.7 1.591 . . . . 0.0 113.975 174.415 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -83.29 -50.53 8.29 Favored 'General case' 0 CA--C 1.581 2.137 0 CA-C-N 119.506 1.048 . . . . 0.0 110.705 174.999 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.9 tpt -133.47 117.7 17.49 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 178.393 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.9 t -31.27 -58.23 0.24 Allowed 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 119.954 3.316 . . . . 0.0 119.954 -177.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 38.02 97.3 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.208 0 N-CA-C 121.71 3.967 . . . . 0.0 121.71 176.942 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 63.64 168.15 0.15 Allowed 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 118.862 2.912 . . . . 0.0 118.862 176.394 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -122.14 -93.96 0.51 Allowed 'General case' 0 CA--C 1.579 2.07 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 -176.976 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.6 t -160.2 154.56 23.59 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 119.05 -2.281 . . . . 0.0 114.239 -178.064 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 70.59 148.33 0.08 Allowed 'General case' 0 N--CA 1.515 2.812 0 C-N-CA 126.434 1.894 . . . . 0.0 110.483 -177.636 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 73.45 -54.68 0.69 Allowed 'General case' 0 N--CA 1.538 3.928 0 CA-C-N 124.028 3.104 . . . . 0.0 107.99 -169.161 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -39.96 -46.26 2.03 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 131.437 3.895 . . . . 0.0 114.57 175.348 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.8 tt -68.96 -41.94 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 CA-C-N 120.51 1.505 . . . . 0.0 112.935 176.967 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.79 -47.59 52.36 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 179.401 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -68.04 -38.88 83.01 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 120.096 1.317 . . . . 0.0 112.072 176.895 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.23 -42.3 75.88 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-N 121.353 1.888 . . . . 0.0 113.851 178.482 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.478 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 9.4 t80 -66.67 -47.26 73.05 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 121.016 1.735 . . . . 0.0 110.562 176.356 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -61.92 -36.63 81.94 Favored 'General case' 0 CA--C 1.575 1.939 0 CA-C-N 120.85 1.659 . . . . 0.0 113.314 -179.451 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.5 mt -80.06 -19.97 46.33 Favored 'General case' 0 CA--C 1.579 2.091 0 CA-C-N 121.984 2.174 . . . . 0.0 112.186 173.512 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -66.34 -42.25 88.4 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-N 121.334 1.879 . . . . 0.0 111.399 172.562 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.12 75.76 2.97 Favored 'General case' 0 CA--C 1.594 2.638 0 CA-C-N 118.385 0.538 . . . . 0.0 112.084 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -39.97 -11.94 0.01 OUTLIER 'General case' 0 CA--C 1.609 3.222 0 N-CA-C 118.929 2.937 . . . . 0.0 118.929 175.81 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -100.3 -12.12 19.76 Favored 'General case' 0 CA--C 1.585 2.324 0 C-N-CA 125.77 1.628 . . . . 0.0 112.304 177.419 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 78.36 -7.99 1.72 Allowed 'General case' 0 CA--C 1.597 2.768 0 C-N-CA 126.768 2.027 . . . . 0.0 115.116 -178.73 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.9 t -71.79 -21.7 61.68 Favored 'General case' 0 CA--C 1.572 1.813 0 C-N-CA 127.094 2.157 . . . . 0.0 115.25 178.433 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 82.55 65.53 1.61 Allowed Glycine 0 C--N 1.348 1.246 0 N-CA-C 117.668 1.827 . . . . 0.0 117.668 178.637 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.33 124.14 6.1 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 123.789 0.836 . . . . 0.0 108.797 178.509 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . 0.27 0.5 OUTLIER -99.9 119.97 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 N-CA-C 104.101 -2.555 . . . . 0.0 104.101 176.448 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.7 p -100.34 163.13 12.52 Favored 'General case' 0 CA--C 1.584 2.263 0 CA-C-N 111.695 -2.502 . . . . 0.0 106.479 174.318 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.82 -38.55 56.24 Favored 'General case' 0 N--CA 1.521 3.114 0 O-C-N 119.757 -1.839 . . . . 0.0 113.961 177.016 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -54.56 -45.39 73.47 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 124.586 1.155 . . . . 0.0 113.05 177.15 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -65.44 -35.87 82.21 Favored 'General case' 0 CA--C 1.585 2.296 0 CA-C-N 119.296 0.953 . . . . 0.0 109.693 174.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 76.5 mt -58.59 -40.72 84.0 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-N 120.1 1.318 . . . . 0.0 111.506 174.67 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -61.43 -48.37 81.49 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-N 119.646 1.112 . . . . 0.0 110.344 173.606 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.7 mmm-85 -51.76 -56.59 12.96 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 123.118 0.567 . . . . 0.0 112.474 174.14 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . 0.286 14.6 m -65.99 -35.27 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 124.958 1.303 . . . . 0.0 113.708 -178.297 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.4 -48.92 79.82 Favored 'General case' 0 CA--C 1.572 1.813 0 CA-C-N 119.036 0.835 . . . . 0.0 110.703 173.861 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -68.4 -42.19 79.4 Favored 'General case' 0 CA--C 1.582 2.198 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 174.035 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -69.21 -25.46 64.33 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 117.487 2.402 . . . . 0.0 117.487 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . 0.447 ' HB3' ' CG ' ' A' ' 93' ' ' MET . 17.5 mt -69.81 -66.56 0.57 Allowed 'General case' 0 CA--C 1.586 2.345 0 CA-C-N 120.577 1.535 . . . . 0.0 113.011 176.758 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 158.91 -43.79 0.47 Allowed Glycine 0 CA--C 1.557 2.68 0 C-N-CA 125.179 1.371 . . . . 0.0 112.177 -177.139 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -94.99 106.73 18.74 Favored 'General case' 0 CA--C 1.565 1.527 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 177.328 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -77.61 101.93 6.78 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -177.212 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.4 mp -77.53 155.26 31.73 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.242 0.617 . . . . 0.0 111.9 177.011 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.6 t -94.92 162.63 13.67 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 125.158 2.409 . . . . 0.0 111.737 -177.799 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -39.95 -50.97 2.52 Favored 'General case' 0 CA--C 1.572 1.803 0 CA-C-N 110.893 -2.867 . . . . 0.0 116.878 178.505 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -41.79 98.26 Favored 'General case' 0 CA--C 1.571 1.758 0 C-N-CA 124.998 1.319 . . . . 0.0 113.251 177.258 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -60.12 -49.96 75.59 Favored 'General case' 0 CA--C 1.577 1.995 0 C-N-CA 123.892 0.877 . . . . 0.0 111.618 175.873 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -60.76 -49.6 76.83 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 177.579 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -67.05 -32.16 73.16 Favored 'General case' 0 CA--C 1.58 2.134 0 CA-C-N 119.506 1.048 . . . . 0.0 111.584 178.905 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -61.1 -47.39 86.49 Favored 'General case' 0 CA--C 1.578 2.021 0 CA-C-N 120.151 1.341 . . . . 0.0 109.929 173.981 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.9 ptp -63.94 -31.37 72.52 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 120.077 1.308 . . . . 0.0 111.951 175.073 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.8 mm -60.05 -54.12 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 CA-C-N 121.686 2.039 . . . . 0.0 109.33 172.469 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.65 -34.64 69.56 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.46 -54.58 30.34 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-O 121.811 0.815 . . . . 0.0 109.945 171.863 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -56.76 -39.45 74.04 Favored 'General case' 0 CA--C 1.572 1.801 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 178.71 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -90.33 96.19 10.54 Favored 'General case' 0 CA--C 1.59 2.49 0 CA-C-O 116.575 -1.678 . . . . 0.0 106.779 178.656 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -32.87 68.01 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 125.954 3.979 . . . . 0.0 118.286 -175.929 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -78.49 -36.11 45.58 Favored 'General case' 0 CA--C 1.589 2.46 0 CA-C-N 118.893 0.77 . . . . 0.0 110.668 173.363 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 88.05 51.89 3.07 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 118.647 2.219 . . . . 0.0 118.647 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -91.6 -42.63 10.1 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 118.955 -0.545 . . . . 0.0 111.397 176.784 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 151.69 -0.97 0.32 Allowed Glycine 0 CA--C 1.552 2.375 0 N-CA-C 119.777 2.671 . . . . 0.0 119.777 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -156.21 153.15 28.75 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 120.631 2.215 . . . . 0.0 111.347 -179.355 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 8.6 t -99.8 120.44 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 -178.231 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 7.1 t -99.91 173.41 6.68 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-O 123.768 1.747 . . . . 0.0 112.187 -178.063 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.28 -49.35 17.52 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 113.603 -1.635 . . . . 0.0 115.011 178.455 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -61.45 -41.24 96.9 Favored 'General case' 0 CA--C 1.569 1.695 0 CA-C-O 116.295 -1.812 . . . . 0.0 113.447 177.163 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -72.71 -23.85 60.91 Favored 'General case' 0 N--CA 1.506 2.369 0 CA-C-N 123.572 2.896 . . . . 0.0 113.422 175.206 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.5 OUTLIER -62.72 -59.93 4.2 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 124.822 1.249 . . . . 0.0 110.683 174.988 . . . . . . . . 3 3 . 1 . 021 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.3 pp -80.16 -50.46 10.25 Favored 'General case' 0 CA--C 1.575 1.92 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 178.829 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -80.12 -33.8 38.37 Favored 'General case' 0 CA--C 1.581 2.169 0 N-CA-C 118.661 2.837 . . . . 0.0 118.661 -179.422 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.517 2.879 0 N-CA-C 119.765 3.246 . . . . 0.0 119.765 179.97 . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 CA--C 1.581 2.171 0 CA-C-O 118.446 -0.788 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.34 -41.1 99.43 Favored Glycine 0 N--CA 1.5 2.901 0 CA-C-N 120.509 1.504 . . . . 0.0 114.243 174.859 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -64.24 -45.43 88.19 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 124.724 1.21 . . . . 0.0 111.206 175.82 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -57.11 -44.76 83.55 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-N 119.797 1.18 . . . . 0.0 110.215 174.641 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.25 -56.95 14.73 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 119.276 0.944 . . . . 0.0 112.361 177.424 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.0 t -56.8 -36.02 69.41 Favored 'General case' 0 N--CA 1.515 2.775 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 177.823 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -45.24 88.04 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.797 0 C-N-CA 125.288 1.435 . . . . 0.0 112.82 175.813 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 93' ' ' MET . . . . . 0.448 ' SD ' ' HA ' ' A' ' 130' ' ' ALA . 36.2 mmt -65.89 -42.77 89.86 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 117.743 -1.122 . . . . 0.0 113.908 177.832 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.6 p -64.38 -35.11 79.84 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 121.233 1.833 . . . . 0.0 111.555 177.764 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 52.82 19.5 1.32 Allowed 'General case' 0 CA--C 1.574 1.875 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -177.928 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.6 mmtt -113.27 -74.9 0.61 Allowed 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 117.79 -1.1 . . . . 0.0 111.09 -178.607 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 57.2 mmm -140.62 -69.98 0.39 Allowed 'General case' 0 N--CA 1.497 1.893 0 CA-C-N 120.725 1.602 . . . . 0.0 112.51 -179.526 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.9 t 73.17 -50.8 0.7 Allowed 'General case' 0 N--CA 1.51 2.545 0 C-N-CA 125.21 1.404 . . . . 0.0 114.058 -177.737 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 69.53 -69.97 0.15 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 119.132 3.012 . . . . 0.0 119.132 176.037 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 66.0 pttt -160.5 152.47 20.11 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 117.596 2.443 . . . . 0.0 117.596 -176.009 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -163.27 -82.53 0.03 OUTLIER 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 175.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 71.3 p 63.72 109.43 0.03 OUTLIER 'General case' 0 N--CA 1.512 2.647 0 CA-C-N 120.409 1.459 . . . . 0.0 111.379 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.2 157.19 0.16 Allowed 'General case' 0 N--CA 1.513 2.699 0 C-N-CA 124.909 1.283 . . . . 0.0 109.516 -175.326 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 73.98 -56.78 0.64 Allowed 'General case' 0 N--CA 1.532 3.67 0 CA-C-N 124.357 3.253 . . . . 0.0 108.702 -172.904 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -49.04 -37.1 19.78 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 127.072 2.149 . . . . 0.0 114.23 176.161 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.5 mt -64.02 -54.13 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 CA-C-N 121.698 2.045 . . . . 0.0 109.125 175.614 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.3 mp -68.45 -41.74 79.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.71 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -66.89 -45.82 76.83 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-O 116.58 -1.676 . . . . 0.0 112.15 175.647 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.48 -44.31 78.87 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 122.307 2.321 . . . . 0.0 113.72 178.687 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.444 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 8.5 t80 -68.62 -43.15 76.96 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 120.479 1.49 . . . . 0.0 112.39 177.285 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -65.28 -36.27 83.57 Favored 'General case' 0 CA--C 1.571 1.771 0 CA-C-O 116.848 -1.548 . . . . 0.0 112.048 -179.405 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.72 -33.02 71.91 Favored 'General case' 0 CA--C 1.58 2.109 0 CA-C-N 122.464 2.393 . . . . 0.0 111.772 172.477 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -46.08 89.23 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 125.33 1.452 . . . . 0.0 114.185 174.834 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -75.08 66.65 1.66 Allowed 'General case' 0 CA--C 1.602 2.947 0 CA-C-N 119.978 1.263 . . . . 0.0 113.58 178.924 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -39.96 -24.46 0.02 OUTLIER 'General case' 0 N--CA 1.533 3.678 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 175.303 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -92.75 0.19 57.38 Favored 'General case' 0 CA--C 1.59 2.489 0 O-C-N 120.367 -1.458 . . . . 0.0 113.076 177.911 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 72.86 -7.55 1.44 Allowed 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 117.518 2.414 . . . . 0.0 117.518 177.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.1 p -71.05 -24.37 62.33 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 119.369 -2.082 . . . . 0.0 115.33 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 78.08 56.23 3.82 Favored Glycine 0 CA--C 1.54 1.656 0 N-CA-C 116.803 1.481 . . . . 0.0 116.803 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -153.0 109.94 3.47 Favored 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -179.274 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.3 mp -99.99 129.19 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.58 0 CA-C-O 123.236 1.493 . . . . 0.0 109.596 179.505 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.67 170.04 8.17 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 111.79 -2.459 . . . . 0.0 108.47 175.533 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -54.92 -38.1 67.23 Favored 'General case' 0 N--CA 1.508 2.451 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 179.432 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -65.18 -40.13 93.82 Favored 'General case' 0 CA--C 1.574 1.902 0 O-C-N 121.371 -0.831 . . . . 0.0 111.886 178.87 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -34.76 78.74 Favored 'General case' 0 CA--C 1.583 2.219 0 CA-C-O 117.754 -1.117 . . . . 0.0 109.107 174.072 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.9 mt -54.03 -47.48 71.51 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 121.06 1.754 . . . . 0.0 110.38 172.95 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -56.65 -45.62 81.51 Favored 'General case' 0 CA--C 1.576 1.958 0 C-N-CA 124.575 1.15 . . . . 0.0 111.801 174.919 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -54.4 -52.27 62.24 Favored 'General case' 0 N--CA 1.508 2.47 0 CA-C-N 119.271 0.941 . . . . 0.0 112.126 175.404 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . 0.266 6.1 t -67.9 -36.07 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.363 0 C-N-CA 123.193 0.597 . . . . 0.0 110.837 178.386 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.448 ' HA ' ' SD ' ' A' ' 93' ' ' MET . . . -56.91 -45.15 82.84 Favored 'General case' 0 CA--C 1.573 1.853 0 CA-C-N 120.231 1.378 . . . . 0.0 113.216 175.451 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -71.68 -47.46 54.04 Favored 'General case' 0 CA--C 1.58 2.103 0 CA-C-N 120.401 1.455 . . . . 0.0 112.508 174.274 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -51.35 -44.92 62.19 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 118.053 2.612 . . . . 0.0 118.053 179.53 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -41.13 93.04 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 117.658 2.466 . . . . 0.0 117.658 179.759 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 175.79 -63.82 0.1 OUTLIER Glycine 0 CA--C 1.542 1.767 0 CA-C-N 112.173 -2.285 . . . . 0.0 111.174 178.769 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -165.06 135.89 3.95 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 120.714 2.257 . . . . 0.0 108.885 178.775 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -60.3 145.39 47.77 Favored 'General case' 0 CA--C 1.56 1.346 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -179.323 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.7 tt -78.71 -93.29 0.03 OUTLIER 'General case' 0 CA--C 1.562 1.405 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.381 179.593 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.2 m -157.86 143.71 17.26 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 120.873 1.67 . . . . 0.0 106.94 176.236 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -42.73 -50.3 5.57 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 117.339 2.348 . . . . 0.0 117.339 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.2 -41.71 99.2 Favored 'General case' 0 CA--C 1.574 1.881 0 C-N-CA 125.281 1.433 . . . . 0.0 113.708 177.878 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.89 -51.62 67.42 Favored 'General case' 0 N--CA 1.499 2.003 0 C-N-CA 124.799 1.24 . . . . 0.0 111.156 175.889 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 12.2 mt -57.03 -38.53 73.3 Favored 'General case' 0 CA--C 1.58 2.11 0 O-C-N 120.908 -1.12 . . . . 0.0 111.849 174.289 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -70.84 -38.6 73.2 Favored 'General case' 0 CA--C 1.568 1.659 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.736 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -58.68 -38.26 77.83 Favored 'General case' 0 CA--C 1.584 2.258 0 CA-C-N 120.077 1.308 . . . . 0.0 109.836 172.711 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -45.3 93.29 Favored 'General case' 0 CA--C 1.578 2.032 0 C-N-CA 124.248 1.019 . . . . 0.0 110.624 173.265 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 11.8 mm -58.64 -56.39 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 C-N-CA 124.871 1.268 . . . . 0.0 111.27 174.23 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -38.64 70.06 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -47.43 54.37 Favored 'General case' 0 CA--C 1.59 2.498 0 CA-C-N 120.082 1.31 . . . . 0.0 110.885 172.952 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.23 -37.16 79.48 Favored 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 117.401 2.371 . . . . 0.0 117.401 178.752 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.311 27.0 t70 -70.33 44.0 0.07 Allowed 'General case' 0 CA--C 1.604 3.023 0 CA-C-N 120.66 1.573 . . . . 0.0 113.308 178.315 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -39.91 -50.01 2.46 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 120.284 3.439 . . . . 0.0 120.284 -171.758 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -137.5 55.73 1.79 Allowed 'General case' 0 CA--C 1.575 1.904 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 175.426 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -128.46 -141.28 5.17 Favored Glycine 0 CA--C 1.567 3.32 0 CA-C-N 121.681 2.037 . . . . 0.0 114.731 -178.612 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -129.47 16.95 5.95 Favored 'General case' 0 CA--C 1.593 2.6 0 C-N-CA 125.69 1.596 . . . . 0.0 114.911 -177.247 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 114.31 19.31 6.31 Favored Glycine 0 CA--C 1.568 3.355 0 O-C-N 119.526 -1.984 . . . . 0.0 113.64 -175.528 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -157.24 163.39 38.83 Favored 'General case' 0 CA--C 1.58 2.125 0 C-N-CA 125.979 1.712 . . . . 0.0 107.883 -177.773 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.89 116.2 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.282 0 O-C-N 119.095 -2.253 . . . . 0.0 107.349 -176.706 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 4.2 t -100.75 171.81 7.46 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 122.849 1.309 . . . . 0.0 114.246 -178.466 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -46.21 23.71 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.304 1.442 . . . . 0.0 114.504 176.076 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -42.87 99.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.214 -1.554 . . . . 0.0 114.783 177.981 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.256 2.0 tp10 -72.19 -34.54 68.49 Favored 'General case' 0 CA--C 1.591 2.531 0 CA-C-N 120.418 1.463 . . . . 0.0 110.42 174.441 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.444 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 4.0 t80 -57.4 -50.6 72.46 Favored 'General case' 0 C--N 1.361 1.07 0 CA-C-N 120.626 1.557 . . . . 0.0 113.397 176.665 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.08 -55.59 4.83 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-O 119.146 -0.454 . . . . 0.0 112.126 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 16.4 mmp_? -80.27 -60.0 2.49 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 118.019 2.6 . . . . 0.0 118.019 -179.984 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.261 7.2 tp . . . . . 0 N--CA 1.511 2.607 1 C-N-CA 131.874 4.07 . . . . 0.0 112.773 -177.462 . . . . . . . . 2 1 . 1 . 023 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.514 2.726 0 N-CA-C 117.184 2.29 . . . . 0.0 117.184 . . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -50.69 -37.02 33.38 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 116.999 1.56 . . . . 0.0 116.999 177.42 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.04 -42.27 97.13 Favored 'General case' 0 CA--C 1.579 2.088 0 CA-C-O 118.583 -0.723 . . . . 0.0 111.668 175.915 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -62.39 -45.84 91.31 Favored 'General case' 0 CA--C 1.589 2.48 0 CA-C-N 120.926 1.694 . . . . 0.0 107.352 172.923 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.1 OUTLIER -50.24 -55.63 14.51 Favored 'General case' 0 N--CA 1.509 2.511 0 CA-C-N 120.378 1.445 . . . . 0.0 113.999 174.663 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.0 m -55.3 -46.54 76.23 Favored 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 178.328 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.98 -45.09 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.365 0 C-N-CA 123.567 0.747 . . . . 0.0 110.639 175.497 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 31.9 ttp -56.42 -46.62 80.13 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.835 1.254 . . . . 0.0 113.032 176.487 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 94' ' ' THR . . . . . 0.603 ' HG1' ' HB2' ' A' ' 100' ' ' LYS . 36.6 p -74.13 -49.41 23.9 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 117.369 -1.301 . . . . 0.0 109.93 176.985 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -47.79 -32.9 6.53 Favored 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 177.272 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.3 tptp -52.86 -34.99 56.92 Favored 'General case' 0 CA--C 1.583 2.246 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 175.241 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 27.5 ttt -113.23 -47.28 3.03 Favored 'General case' 0 CA--C 1.577 1.986 0 C-N-CA 125.267 1.427 . . . . 0.0 111.303 176.944 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.8 m -164.84 125.01 1.95 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.349 -1.469 . . . . 0.0 108.223 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -62.23 152.46 33.32 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -178.396 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . 0.603 ' HB2' ' HG1' ' A' ' 94' ' ' THR . 3.7 tptp -105.29 -175.87 2.92 Favored 'General case' 0 CA--C 1.571 1.784 0 N-CA-C 115.718 1.748 . . . . 0.0 115.718 -178.813 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.45 -111.59 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.101 0 C-N-CA 125.519 1.528 . . . . 0.0 113.898 -176.956 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.5 t -178.42 133.54 0.14 Allowed 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 125.864 1.665 . . . . 0.0 106.935 -179.661 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.287 0.0 OUTLIER 56.72 155.8 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.72 0 C-N-CA 126.014 1.726 . . . . 0.0 114.371 -177.603 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 65.38 -32.14 0.15 Allowed 'General case' 0 N--CA 1.527 3.403 0 O-C-N 119.276 -2.14 . . . . 0.0 112.765 -170.389 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -69.14 -30.45 68.71 Favored 'General case' 0 CA--C 1.568 1.638 0 CA-C-N 121.616 2.007 . . . . 0.0 112.476 175.78 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -37.2 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.408 0 CA-C-N 119.665 1.121 . . . . 0.0 111.434 173.559 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . 0.406 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 1.0 OUTLIER -62.87 -46.42 87.96 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 177.031 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -67.1 -40.65 86.95 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 119.336 0.971 . . . . 0.0 112.596 176.344 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.2 -54.87 30.71 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 117.358 -1.306 . . . . 0.0 113.023 177.389 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.507 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 3.2 t80 -62.84 -45.63 91.7 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-N 121.032 1.742 . . . . 0.0 112.141 178.257 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -64.49 -30.02 71.06 Favored 'General case' 0 CA--C 1.587 2.371 0 CA-C-N 120.481 1.491 . . . . 0.0 111.726 179.754 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.7 mt -79.76 -19.98 47.41 Favored 'General case' 0 CA--C 1.58 2.116 0 CA-C-N 122.382 2.355 . . . . 0.0 111.931 172.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -62.17 -44.46 96.56 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 122.625 2.466 . . . . 0.0 110.792 171.234 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.87 76.76 0.89 Allowed 'General case' 0 CA--C 1.581 2.173 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -178.295 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -50.86 -10.09 0.06 Allowed 'General case' 0 CA--C 1.617 3.528 0 O-C-N 119.773 -1.829 . . . . 0.0 115.472 172.636 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -104.66 -18.76 14.18 Favored 'General case' 0 CA--C 1.584 2.288 0 C-N-CA 126.57 1.948 . . . . 0.0 111.583 177.269 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 81.18 -5.25 1.65 Allowed 'General case' 0 CA--C 1.589 2.445 0 CA-C-N 121.796 2.089 . . . . 0.0 114.835 -179.328 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.1 t -64.89 -21.83 66.88 Favored 'General case' 0 CA--C 1.572 1.805 0 O-C-N 119.732 -1.855 . . . . 0.0 115.032 179.16 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.56 57.35 6.67 Favored Glycine 0 C--N 1.353 1.482 0 N-CA-C 118.784 2.274 . . . . 0.0 118.784 177.788 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.95 110.62 4.51 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 178.17 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . 0.25 0.5 OUTLIER -99.94 118.58 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 CA-C-O 123.908 1.813 . . . . 0.0 106.937 178.978 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 76.2 p -100.01 162.2 13.13 Favored 'General case' 0 CA--C 1.574 1.875 0 CA-C-N 111.212 -2.722 . . . . 0.0 106.438 174.981 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -52.25 -35.87 50.96 Favored 'General case' 0 CA--C 1.583 2.226 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -179.477 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -63.06 -39.06 93.6 Favored 'General case' 0 CA--C 1.571 1.754 0 CA-C-O 117.329 -1.319 . . . . 0.0 113.874 178.061 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.26 0.4 OUTLIER -72.08 -29.65 64.33 Favored 'General case' 0 N--CA 1.513 2.695 0 CA-C-N 121.623 2.011 . . . . 0.0 110.103 176.161 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.47 -42.34 82.4 Favored 'General case' 0 N--CA 1.514 2.763 0 CA-C-N 121.56 1.982 . . . . 0.0 110.175 169.953 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -60.14 -45.94 91.32 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 124.135 0.974 . . . . 0.0 111.505 174.468 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -50.74 -60.11 3.39 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 123.717 0.807 . . . . 0.0 111.423 174.954 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.3 m -62.88 -41.27 91.99 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.422 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -179.13 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.52 -50.51 71.62 Favored 'General case' 0 CA--C 1.567 1.601 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 177.617 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -37.05 54.2 Favored 'General case' 0 CA--C 1.577 2.015 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.929 174.803 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -66.98 -25.73 66.46 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 176.421 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.8 mt -60.78 -61.69 2.4 Favored 'General case' 0 CA--C 1.574 1.872 0 CA-C-N 119.746 1.157 . . . . 0.0 113.712 176.281 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 154.33 35.96 0.03 OUTLIER Glycine 0 CA--C 1.552 2.385 0 C-N-CA 124.65 1.119 . . . . 0.0 114.975 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 68.84 122.09 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 126.205 1.802 . . . . 0.0 113.145 -178.731 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -166.75 -50.13 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.549 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -129.19 169.23 15.05 Favored 'General case' 0 N--CA 1.498 1.974 0 CA-C-N 120.295 1.407 . . . . 0.0 113.303 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 13.4 t -110.17 162.38 14.64 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -176.004 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -43.3 -51.25 6.37 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 117.606 2.447 . . . . 0.0 117.606 179.375 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.6 -46.83 88.16 Favored 'General case' 0 CA--C 1.578 2.048 0 CA-C-N 113.785 -1.552 . . . . 0.0 113.041 178.129 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . 0.263 8.1 tp10 -57.25 -48.72 78.13 Favored 'General case' 0 CA--C 1.591 2.537 0 C-N-CA 124.539 1.136 . . . . 0.0 111.562 175.744 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 30.4 mt -56.41 -40.77 75.22 Favored 'General case' 0 CA--C 1.577 2.0 0 O-C-N 119.769 -1.832 . . . . 0.0 111.672 172.903 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.519 HE22 ' CG2' ' A' ' 146' ' ' ILE . 0.5 OUTLIER -62.91 -39.35 94.29 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 117.008 -1.473 . . . . 0.0 111.009 177.78 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -63.38 -32.7 74.2 Favored 'General case' 0 CA--C 1.593 2.598 0 CA-C-N 121.834 2.106 . . . . 0.0 110.722 173.23 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -64.44 -34.46 78.25 Favored 'General case' 0 CA--C 1.589 2.473 0 O-C-N 120.627 -1.295 . . . . 0.0 111.609 172.23 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.519 ' CG2' HE22 ' A' ' 143' ' ' GLN . 2.2 mm -60.33 -58.03 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 119.861 -1.775 . . . . 0.0 108.775 173.419 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.61 -35.41 63.36 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.252 179.652 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -38.15 83.37 Favored 'General case' 0 N--CA 1.513 2.697 0 CA-C-N 121.637 2.017 . . . . 0.0 112.039 172.988 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.0 -28.02 39.52 Favored 'General case' 0 CA--C 1.586 2.334 0 N-CA-C 120.411 3.486 . . . . 0.0 120.411 177.418 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.62 41.71 0.02 OUTLIER 'General case' 0 CA--C 1.596 2.743 0 N-CA-C 120.261 3.43 . . . . 0.0 120.261 -176.013 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -22.98 63.72 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 121.608 3.929 . . . . 0.0 121.608 -174.624 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.94 -29.04 68.01 Favored 'General case' 0 CA--C 1.596 2.727 0 CA-C-N 120.347 1.43 . . . . 0.0 110.922 172.909 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 109.3 18.25 9.33 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 122.466 3.746 . . . . 0.0 122.466 176.28 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -123.94 9.52 8.78 Favored 'General case' 0 CA--C 1.586 2.355 0 CA-C-N 119.827 1.813 . . . . 0.0 112.759 178.587 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 84.19 22.29 54.96 Favored Glycine 0 N--CA 1.505 3.258 0 CA-C-N 123.651 2.932 . . . . 0.0 118.31 -178.693 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -148.06 150.39 33.82 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 119.314 1.557 . . . . 0.0 108.746 178.056 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.3 t -99.89 117.98 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.116 -0.99 . . . . 0.0 110.561 -175.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.2 m -99.86 169.63 9.09 Favored 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 125.146 1.378 . . . . 0.0 111.702 -179.134 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -49.98 65.08 Favored 'General case' 0 N--CA 1.504 2.247 0 CA-C-O 116.177 -1.868 . . . . 0.0 113.554 178.655 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . 0.468 ' HA ' ' CD2' ' A' ' 163' ' ' LEU . 2.2 mp0 -59.53 -41.94 91.17 Favored 'General case' 0 CA--C 1.571 1.759 0 CA-C-N 122.797 2.544 . . . . 0.0 113.757 176.468 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -72.44 -19.8 61.51 Favored 'General case' 0 CA--C 1.587 2.401 0 CA-C-N 120.696 1.589 . . . . 0.0 112.948 174.989 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.507 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -69.14 -59.98 2.66 Favored 'General case' 0 CA--C 1.566 1.577 0 O-C-N 119.38 -2.075 . . . . 0.0 109.813 174.3 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.468 ' CD2' ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -80.14 -51.58 8.81 Favored 'General case' 0 CA--C 1.58 2.118 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 178.743 . . . . . . . . 3 3 . 1 . 023 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 15.0 mtm-85 -80.18 -19.81 46.22 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 120.824 3.639 . . . . 0.0 120.824 -176.224 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.969 0 CA-C-N 124.777 3.444 . . . . 0.0 116.817 179.598 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 CA--C 1.627 3.918 1 N-CA-C 96.404 -5.406 . . . . 0.0 96.404 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -39.87 -40.53 1.66 Allowed Glycine 1 C--N 1.407 4.49 0 CA-C-N 124.969 3.531 . . . . 0.0 118.161 -175.587 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.72 -49.8 60.75 Favored 'General case' 0 CA--C 1.582 2.209 0 CA-C-N 111.664 -2.268 . . . . 0.0 109.462 174.644 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -60.81 -38.93 87.09 Favored 'General case' 0 N--CA 1.518 2.97 0 CA-C-N 123.173 2.715 . . . . 0.0 110.622 173.16 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.35 -59.08 6.02 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 119.584 -1.948 . . . . 0.0 111.763 176.37 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.1 m -53.82 -39.54 65.63 Favored 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 177.134 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -46.84 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 124.63 1.172 . . . . 0.0 111.695 176.566 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -80.05 -44.27 20.38 Favored 'General case' 0 CA--C 1.592 2.577 0 CA-C-N 119.616 1.098 . . . . 0.0 113.879 175.466 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.6 p -59.11 -24.59 63.1 Favored 'General case' 0 N--CA 1.506 2.349 0 C-N-CA 127.004 2.122 . . . . 0.0 114.794 179.156 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -46.85 -29.07 1.79 Allowed 'General case' 0 CA--C 1.586 2.328 0 CA-C-N 121.75 2.068 . . . . 0.0 114.769 174.525 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . 0.448 ' HZ2' ' CD ' ' A' ' 135' ' ' GLU . 23.3 mmtp -92.14 -2.46 56.57 Favored 'General case' 0 CA--C 1.585 2.326 0 N-CA-C 115.084 1.512 . . . . 0.0 115.084 175.163 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.3 mmt -127.65 -34.49 2.2 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 115.097 1.518 . . . . 0.0 115.097 -179.745 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.5 t 71.79 68.7 0.15 Allowed 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 126.137 1.775 . . . . 0.0 115.325 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -82.36 175.98 9.81 Favored 'General case' 0 CA--C 1.574 1.879 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 179.082 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.53 -173.15 2.99 Favored 'General case' 0 CA--C 1.581 2.138 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -175.083 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.5 t0 77.56 164.71 0.23 Allowed 'General case' 0 CA--C 1.579 2.087 0 N-CA-C 117.061 2.245 . . . . 0.0 117.061 177.211 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.8 t -161.4 114.12 1.87 Allowed 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 104.191 -2.522 . . . . 0.0 104.191 179.359 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 91.12 157.1 0.04 OUTLIER 'General case' 0 N--CA 1.524 3.27 0 C-N-CA 126.818 2.047 . . . . 0.0 108.341 -172.929 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 68.55 -53.0 0.55 Allowed 'General case' 1 N--CA 1.546 4.363 1 CA-C-N 126.13 4.059 . . . . 0.0 110.38 -173.137 . . . . . . . . 3 2 . 1 . 024 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . 0.323 2.6 tt0 -39.97 -50.32 2.52 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 131.664 3.985 . . . . 0.0 111.137 171.605 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.0 tt -63.47 -45.09 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 CA-C-N 119.426 1.012 . . . . 0.0 112.837 177.654 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.28 -45.95 71.7 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.029 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -66.14 -48.3 71.25 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-O 117.325 -1.322 . . . . 0.0 112.255 176.556 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.88 87.48 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 121.245 1.839 . . . . 0.0 114.433 179.083 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.453 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 6.8 t80 -68.52 -45.74 71.45 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-O 116.93 -1.51 . . . . 0.0 111.428 175.986 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -63.48 -33.8 76.37 Favored 'General case' 0 CA--C 1.58 2.124 0 CA-C-N 120.384 1.447 . . . . 0.0 112.264 -178.447 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 pp -76.33 -22.66 54.65 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 121.247 1.839 . . . . 0.0 112.582 172.33 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 13.7 m-85 -62.34 -52.77 62.32 Favored 'General case' 0 CA--C 1.567 1.62 0 CA-C-N 121.232 1.833 . . . . 0.0 109.967 172.369 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -68.51 71.42 0.19 Allowed 'General case' 0 CA--C 1.591 2.552 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -176.301 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . 0.466 ' CG ' HH21 ' A' ' 128' ' ' ARG . 66.0 m-20 -40.03 -16.12 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.82 0 N-CA-C 119.095 2.998 . . . . 0.0 119.095 174.646 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -101.32 -2.9 29.91 Favored 'General case' 0 CA--C 1.589 2.475 0 CA-C-N 120.45 1.477 . . . . 0.0 112.292 177.62 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 73.55 -6.16 1.83 Allowed 'General case' 0 CA--C 1.586 2.359 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 178.51 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.6 p -72.16 -28.51 63.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 119.24 -2.163 . . . . 0.0 114.268 179.367 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.81 55.18 2.88 Favored Glycine 0 CA--C 1.541 1.706 0 N-CA-C 117.08 1.592 . . . . 0.0 117.08 179.74 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -146.15 109.92 4.87 Favored 'General case' 0 CA--C 1.561 1.404 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.327 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.3 mp -102.07 119.09 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 CA-C-O 124.032 1.873 . . . . 0.0 108.218 178.042 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.2 p -99.97 165.93 11.3 Favored 'General case' 0 CA--C 1.596 2.715 0 CA-C-N 111.152 -2.749 . . . . 0.0 104.951 172.243 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -49.05 -40.7 32.39 Favored 'General case' 0 N--CA 1.511 2.603 0 N-CA-C 117.268 2.322 . . . . 0.0 117.268 -179.888 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -59.29 -42.82 92.17 Favored 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 178.466 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -66.13 -36.8 84.1 Favored 'General case' 0 N--CA 1.508 2.439 0 CA-C-O 117.069 -1.443 . . . . 0.0 109.16 174.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 49.7 mt -55.72 -39.43 71.08 Favored 'General case' 0 CA--C 1.592 2.591 0 CA-C-N 121.997 2.181 . . . . 0.0 110.4 173.55 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -57.64 -48.72 78.67 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 125.563 1.545 . . . . 0.0 110.621 172.966 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.466 HH21 ' CG ' ' A' ' 115' ' ' ASP . 2.6 ppt_? -57.16 -44.0 83.07 Favored 'General case' 0 N--CA 1.517 2.881 0 CA-C-N 120.175 1.352 . . . . 0.0 112.855 175.832 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -67.78 -43.54 86.26 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 178.377 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -48.48 -47.16 38.78 Favored 'General case' 0 CA--C 1.562 1.415 0 C-N-CA 125.05 1.34 . . . . 0.0 113.5 176.222 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -75.15 -34.29 61.61 Favored 'General case' 0 CA--C 1.589 2.47 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 173.823 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -75.5 -29.87 59.67 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 119.1 3.0 . . . . 0.0 119.1 179.41 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 37.7 mt -64.69 -75.31 0.09 Allowed 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -178.728 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -166.91 -41.54 0.02 OUTLIER Glycine 0 N--CA 1.492 2.417 0 N-CA-C 118.738 2.255 . . . . 0.0 118.738 -179.114 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . 0.448 ' CD ' ' HZ2' ' A' ' 96' ' ' LYS . 5.0 tp10 -128.16 119.85 26.11 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 119.552 1.676 . . . . 0.0 108.415 -179.635 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -90.03 109.07 20.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.21 -0.931 . . . . 0.0 111.369 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.16 -116.78 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 122.869 0.468 . . . . 0.0 111.088 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.8 t -150.06 163.2 38.79 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 125.683 2.659 . . . . 0.0 110.124 179.655 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -44.67 -49.16 10.52 Favored 'General case' 0 CA--C 1.569 1.704 0 CA-C-N 110.377 -3.101 . . . . 0.0 117.249 177.573 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.88 -43.41 98.86 Favored 'General case' 0 CA--C 1.574 1.878 0 C-N-CA 125.761 1.625 . . . . 0.0 113.144 178.172 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -56.05 -54.8 40.64 Favored 'General case' 0 N--CA 1.505 2.291 0 C-N-CA 124.192 0.997 . . . . 0.0 110.779 174.119 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.3 mt -59.55 -35.09 73.54 Favored 'General case' 0 CA--C 1.574 1.873 0 O-C-N 120.886 -1.134 . . . . 0.0 113.282 175.973 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.5 HE22 ' CG2' ' A' ' 146' ' ' ILE . 0.6 OUTLIER -68.36 -38.75 81.74 Favored 'General case' 0 CA--C 1.561 1.396 0 CA-C-O 117.002 -1.475 . . . . 0.0 111.187 178.953 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -63.77 -35.77 81.7 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-N 121.246 1.839 . . . . 0.0 109.456 172.623 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 78.2 mmm -59.98 -39.62 86.31 Favored 'General case' 0 CA--C 1.588 2.417 0 O-C-N 120.091 -1.631 . . . . 0.0 110.965 173.144 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.5 ' CG2' HE22 ' A' ' 143' ' ' GLN . 3.2 mm -60.43 -55.93 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 C-N-CA 124.453 1.101 . . . . 0.0 109.18 172.175 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.3 -41.21 27.45 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -179.545 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -73.41 -45.59 53.72 Favored 'General case' 0 CA--C 1.587 2.384 0 N-CA-C 111.442 0.164 . . . . 0.0 111.442 174.536 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.28 -37.65 88.24 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 117.78 2.511 . . . . 0.0 117.78 177.932 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.31 32.7 t70 -77.52 44.44 0.44 Allowed 'General case' 0 CA--C 1.583 2.22 0 C-N-CA 126.075 1.75 . . . . 0.0 115.133 -178.737 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.09 -50.02 3.43 Favored 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 119.241 3.052 . . . . 0.0 119.241 -175.362 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -127.11 46.25 2.55 Favored 'General case' 0 CA--C 1.588 2.409 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 175.799 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -118.95 -32.84 1.22 Allowed Glycine 0 N--CA 1.497 2.706 0 N-CA-C 123.015 3.966 . . . . 0.0 123.015 -176.926 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 16.1 t70 79.71 -13.73 0.92 Allowed 'General case' 0 CA--C 1.598 2.816 0 CA-C-N 120.02 1.91 . . . . 0.0 113.594 -176.629 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 172.36 9.1 0.02 OUTLIER Glycine 0 CA--C 1.559 2.84 0 N-CA-C 118.689 2.236 . . . . 0.0 118.689 179.214 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -160.05 148.9 17.34 Favored 'General case' 0 CA--C 1.57 1.714 0 CA-C-N 120.333 2.067 . . . . 0.0 111.838 -179.438 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.4 t -99.84 112.05 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 N-CA-C 104.187 -2.523 . . . . 0.0 104.187 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 83.8 p -99.91 173.84 6.48 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-O 122.159 0.98 . . . . 0.0 113.386 -178.103 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -47.28 -49.19 24.23 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 179.481 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -61.97 -42.58 99.29 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 116.749 -1.596 . . . . 0.0 114.788 177.739 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.321 6.4 tp10 -72.81 -25.35 61.11 Favored 'General case' 0 CA--C 1.589 2.477 0 CA-C-N 122.147 2.249 . . . . 0.0 112.522 175.842 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.453 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.6 OUTLIER -63.85 -59.22 4.81 Favored 'General case' 0 CA--C 1.554 1.105 0 O-C-N 119.676 -1.89 . . . . 0.0 110.915 175.263 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . 0.262 0.3 OUTLIER -80.18 -47.6 14.44 Favored 'General case' 0 CA--C 1.575 1.936 0 CA-C-O 117.406 -1.283 . . . . 0.0 113.366 -179.868 . . . . . . . . 3 3 . 1 . 024 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.04 -19.91 46.51 Favored 'General case' 0 N--CA 1.505 2.314 0 CA-C-N 122.439 2.381 . . . . 0.0 117.276 177.751 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.253 6.7 tp . . . . . 0 N--CA 1.512 2.633 0 CA-C-N 122.582 2.446 . . . . 0.0 117.526 -178.705 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 . . . . . 0 N--CA 1.51 2.527 0 N-CA-C 119.987 3.328 . . . . 0.0 119.987 . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 87' ' ' GLY . . . . . 0.407 ' O ' ' OG1' ' A' ' 91' ' ' THR . . . -44.98 -47.1 9.59 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 116.605 1.402 . . . . 0.0 116.605 179.234 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -62.81 -55.09 29.51 Favored 'General case' 0 CA--C 1.569 1.705 0 CA-C-O 117.431 -1.271 . . . . 0.0 112.193 176.203 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -52.44 -46.73 66.56 Favored 'General case' 0 N--CA 1.512 2.641 0 CA-C-N 120.363 1.438 . . . . 0.0 111.309 175.463 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.24 -56.01 27.57 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 124.627 1.171 . . . . 0.0 112.984 175.171 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 91' ' ' THR . . . . . 0.407 ' OG1' ' O ' ' A' ' 87' ' ' GLY . 9.2 m -55.02 -39.17 68.83 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 124.714 1.206 . . . . 0.0 112.813 176.092 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.35 -44.86 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.954 0.902 . . . . 0.0 112.447 176.869 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 5.5 mmt -80.06 -44.64 19.71 Favored 'General case' 0 CA--C 1.578 2.024 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 175.85 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.4 p -79.99 -60.01 2.5 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -176.844 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -61.32 -39.7 91.46 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 179.034 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -26.4 67.07 Favored 'General case' 0 CA--C 1.577 2.008 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 177.265 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.0 tpt -84.84 -77.71 0.27 Allowed 'General case' 0 CA--C 1.569 1.681 0 CA-C-N 119.294 0.952 . . . . 0.0 108.567 177.37 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.8 p -167.3 73.92 0.13 Allowed 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 119.548 1.067 . . . . 0.0 109.658 178.586 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -151.65 -144.66 0.15 Allowed 'General case' 0 CA--C 1.578 2.05 0 O-C-N 121.211 -0.93 . . . . 0.0 111.518 -179.148 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.15 116.89 3.76 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 119.714 -1.866 . . . . 0.0 112.588 -179.148 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 101' ' ' ASP . . . . . 0.457 ' O ' ' OG1' ' A' ' 102' ' ' THR . 1.4 t70 -161.85 164.25 28.82 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-N 120.859 1.663 . . . . 0.0 114.844 178.73 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 102' ' ' THR . . . . . 0.457 ' OG1' ' O ' ' A' ' 101' ' ' ASP . 90.8 m -167.13 -72.31 0.03 OUTLIER 'General case' 0 CA--C 1.579 2.094 0 C-N-CA 125.045 1.338 . . . . 0.0 108.139 178.929 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.72 -160.95 1.18 Allowed 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 124.833 1.253 . . . . 0.0 108.978 177.071 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 69.92 -45.08 0.57 Allowed 'General case' 0 N--CA 1.526 3.36 0 CA-C-N 121.527 1.967 . . . . 0.0 111.883 -174.407 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -62.35 -22.48 66.13 Favored 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 126.151 1.781 . . . . 0.0 113.814 177.148 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.7 tt -53.87 -39.75 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.668 0 CA-C-N 122.884 2.584 . . . . 0.0 109.294 172.769 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -63.31 -48.31 78.6 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 179.199 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.06 -47.16 69.1 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 117.596 -1.192 . . . . 0.0 111.091 175.587 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.78 -43.95 97.4 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 120.819 1.645 . . . . 0.0 114.636 179.051 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 110' ' ' PHE . . . . . 0.474 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.5 t80 -69.69 -46.29 66.36 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 121.174 1.806 . . . . 0.0 111.482 177.259 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 111' ' ' LYS . . . . . 0.404 ' HZ2' ' CD ' ' A' ' 117' ' ' GLU 0.275 10.6 tptp -70.08 -27.66 64.79 Favored 'General case' 0 CA--C 1.576 1.96 0 CA-C-N 120.684 1.584 . . . . 0.0 112.939 -179.823 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 pp -77.73 -30.48 51.7 Favored 'General case' 0 CA--C 1.579 2.069 0 CA-C-N 122.533 2.424 . . . . 0.0 111.363 172.106 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.36 -49.11 77.21 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 175.534 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -94.69 68.23 3.35 Favored 'General case' 0 CA--C 1.596 2.712 0 O-C-N 123.679 0.612 . . . . 0.0 111.3 -177.748 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.75 -14.93 56.89 Favored 'General case' 0 CA--C 1.591 2.553 0 O-C-N 118.286 -2.759 . . . . 0.0 115.178 178.029 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -78.46 -16.08 57.95 Favored 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 121.955 2.161 . . . . 0.0 113.505 177.299 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 117' ' ' GLU . . . . . 0.404 ' CD ' ' HZ2' ' A' ' 111' ' ' LYS . 14.5 tp10 76.5 50.03 0.06 Allowed 'General case' 0 N--CA 1.508 2.426 0 CA-C-O 126.893 3.235 . . . . 0.0 114.816 179.124 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.8 p -107.65 -42.4 4.76 Favored 'General case' 0 CA--C 1.574 1.898 0 CA-C-N 109.422 -3.536 . . . . 0.0 109.692 177.202 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 69.7 52.37 20.7 Favored Glycine 0 N--CA 1.481 1.684 0 C-N-CA 126.22 1.867 . . . . 0.0 117.402 -179.688 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.03 113.07 6.12 Favored 'General case' 0 CA--C 1.562 1.437 0 CA-C-N 118.398 1.099 . . . . 0.0 109.429 179.209 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.2 mp -99.9 127.73 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.363 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 176.436 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.96 165.38 12.39 Favored 'General case' 0 CA--C 1.58 2.097 0 CA-C-N 111.765 -2.47 . . . . 0.0 107.052 177.742 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -41.99 -40.02 2.08 Favored 'General case' 0 N--CA 1.515 2.796 0 N-CA-C 118.167 2.654 . . . . 0.0 118.167 -178.65 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -61.74 -39.21 90.79 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 178.665 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -33.44 73.02 Favored 'General case' 0 CA--C 1.585 2.31 0 CA-C-O 117.465 -1.255 . . . . 0.0 109.109 175.767 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.4 mp -56.95 -39.23 74.18 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 122.268 2.304 . . . . 0.0 110.802 171.347 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -56.94 -46.33 82.15 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 123.868 0.867 . . . . 0.0 110.419 171.926 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 128' ' ' ARG . . . . . 0.412 HH21 ' CD ' ' A' ' 132' ' ' GLU . 6.5 mmm180 -56.59 -53.92 51.98 Favored 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 119.197 0.908 . . . . 0.0 112.516 174.089 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . 0.258 0.2 OUTLIER -58.93 -42.82 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.629 0 CA-C-O 117.078 -1.439 . . . . 0.0 111.687 178.421 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.24 -40.65 67.91 Favored 'General case' 0 CA--C 1.578 2.046 0 CA-C-N 120.496 1.498 . . . . 0.0 112.653 175.04 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -71.44 -46.47 59.96 Favored 'General case' 0 CA--C 1.576 1.949 0 CA-C-N 119.278 0.944 . . . . 0.0 111.62 173.434 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 132' ' ' GLU . . . . . 0.412 ' CD ' HH21 ' A' ' 128' ' ' ARG . 1.2 mp0 -52.93 -45.42 67.65 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 177.475 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.359 7.0 mp -70.4 -19.04 63.04 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 117.804 2.52 . . . . 0.0 117.804 175.26 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.57 -44.5 2.9 Favored Glycine 0 N--CA 1.486 2.03 0 CA-C-N 113.938 -1.483 . . . . 0.0 115.26 -179.775 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.02 93.72 8.66 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -85.0 -17.79 36.47 Favored 'General case' 0 CA--C 1.571 1.775 0 N-CA-C 118.036 2.606 . . . . 0.0 118.036 -178.178 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.294 0.0 OUTLIER 46.43 -116.61 0.67 Allowed 'General case' 0 N--CA 1.505 2.275 0 C-N-CA 126.034 1.734 . . . . 0.0 112.002 -177.931 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.8 t -151.19 165.5 33.75 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 122.668 2.486 . . . . 0.0 109.74 178.12 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -42.6 -49.12 5.51 Favored 'General case' 0 CA--C 1.57 1.743 0 CA-C-N 111.305 -2.68 . . . . 0.0 116.997 176.902 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.88 -44.23 97.23 Favored 'General case' 0 CA--C 1.573 1.854 0 C-N-CA 126.278 1.831 . . . . 0.0 112.226 177.628 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.87 -52.88 63.4 Favored 'General case' 0 N--CA 1.507 2.382 0 CA-C-N 119.388 0.994 . . . . 0.0 110.98 175.001 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.85 -36.68 74.97 Favored 'General case' 0 CA--C 1.574 1.874 0 O-C-N 121.205 -0.935 . . . . 0.0 113.049 175.915 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 143' ' ' GLN . . . . . 0.549 HE22 ' CG2' ' A' ' 146' ' ' ILE . 0.7 OUTLIER -69.54 -37.24 76.99 Favored 'General case' 0 CA--C 1.566 1.574 0 CA-C-N 119.455 1.025 . . . . 0.0 111.558 178.154 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -60.24 -40.32 89.82 Favored 'General case' 0 CA--C 1.587 2.395 0 CA-C-N 120.007 1.276 . . . . 0.0 109.726 173.328 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.7 mmm -59.28 -44.22 92.47 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.399 -0.813 . . . . 0.0 111.658 173.225 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 146' ' ' ILE . . . . . 0.549 ' CG2' HE22 ' A' ' 143' ' ' GLN . 2.8 mm -58.41 -59.78 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 C-N-CA 124.733 1.213 . . . . 0.0 110.769 174.922 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.54 -31.93 57.3 Favored 'General case' 0 N--CA 1.505 2.323 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -179.276 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.23 -36.69 61.31 Favored 'General case' 0 CA--C 1.599 2.86 0 CA-C-N 121.004 1.729 . . . . 0.0 111.905 172.368 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -75.01 -28.13 60.39 Favored 'General case' 0 CA--C 1.579 2.073 0 N-CA-C 117.767 2.506 . . . . 0.0 117.767 176.372 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.88 32.87 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.642 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 -178.201 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -27.76 61.33 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 119.863 3.282 . . . . 0.0 119.863 -173.43 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.55 -29.88 66.45 Favored 'General case' 0 CA--C 1.584 2.252 0 CA-C-O 116.021 -1.942 . . . . 0.0 111.875 175.192 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 143.61 -30.37 1.96 Allowed Glycine 0 N--CA 1.498 2.775 1 N-CA-C 126.657 5.423 . . . . 0.0 126.657 175.965 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -103.56 16.27 26.87 Favored 'General case' 0 CA--C 1.586 2.331 0 CA-C-N 121.308 2.554 . . . . 0.0 116.097 -176.501 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 84.69 18.49 61.65 Favored Glycine 0 N--CA 1.508 3.473 0 CA-C-N 125.208 3.64 . . . . 0.0 118.951 -179.611 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . 0.27 6.8 pt-20 -147.26 156.99 43.42 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 125.031 1.332 . . . . 0.0 107.831 178.631 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.78 121.03 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 120.0 -1.688 . . . . 0.0 109.554 -173.757 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 85.4 p -99.96 173.13 6.8 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 124.991 1.316 . . . . 0.0 111.467 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -57.53 -46.75 83.48 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -178.182 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -30.11 71.08 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-N 121.159 1.799 . . . . 0.0 112.372 177.696 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -78.21 -23.28 47.56 Favored 'General case' 0 CA--C 1.589 2.446 0 CA-C-N 122.123 2.238 . . . . 0.0 111.725 173.806 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 162' ' ' PHE . . . . . 0.474 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -61.85 -56.75 16.12 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 126.793 2.037 . . . . 0.0 108.803 173.686 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 163' ' ' LEU . . . . . 0.402 HD21 ' H ' ' A' ' 164' ' ' ARG . 0.0 OUTLIER -80.12 -60.06 2.48 Favored 'General case' 0 CA--C 1.589 2.449 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 176.357 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 164' ' ' ARG . . . . . 0.402 ' H ' HD21 ' A' ' 163' ' ' LEU . 1.4 tmm_? -80.2 -23.38 41.01 Favored 'General case' 0 CA--C 1.573 1.86 1 N-CA-C 122.082 4.105 . . . . 0.0 122.082 -177.972 . . . . . . . . 3 3 . 1 . 025 nuclear orig full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.254 8.0 tp . . . . . 0 N--CA 1.526 3.357 0 CA-C-N 122.374 2.352 . . . . 0.0 116.979 -174.798 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 CA--C 1.575 1.94 0 CA-C-O 117.587 -1.197 . . . . 0.0 114.066 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.34 -48.27 59.08 Favored Glycine 0 N--CA 1.496 2.66 0 CA-C-N 121.602 2.001 . . . . 0.0 115.443 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.83 -42.03 91.06 Favored 'General case' 0 CA--C 1.575 1.935 0 CA-C-O 117.652 -1.166 . . . . 0.0 110.122 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -57.41 -43.74 84.01 Favored 'General case' 0 N--CA 1.506 2.361 0 CA-C-N 121.024 1.738 . . . . 0.0 110.275 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.21 -56.76 17.87 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.924 -1.11 . . . . 0.0 112.826 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.504 2.235 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 176.721 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.513 2.687 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 71.94 -50.85 0.7 Allowed 'General case' 0 N--CA 1.527 3.414 0 O-C-N 118.107 -2.871 . . . . 0.0 112.131 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -51.53 -38.99 56.79 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 126.957 2.103 . . . . 0.0 112.022 175.044 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.8 tt -57.71 -43.58 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.375 0 CA-C-N 122.119 2.236 . . . . 0.0 111.532 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.524 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 15.6 mt -72.43 -44.64 62.14 Favored 'General case' 0 CA--C 1.563 1.461 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -67.79 -41.29 83.43 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-O 117.794 -1.098 . . . . 0.0 112.996 176.285 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.82 -43.85 74.73 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 121.088 1.767 . . . . 0.0 112.432 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.448 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.2 t80 -67.31 -46.16 74.37 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 121.19 1.814 . . . . 0.0 111.71 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . 0.25 8.6 tptt -64.49 -32.27 73.83 Favored 'General case' 0 CA--C 1.573 1.855 0 CA-C-O 116.987 -1.482 . . . . 0.0 112.572 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.0 mt -77.25 -19.91 55.93 Favored 'General case' 0 CA--C 1.592 2.571 0 CA-C-N 122.25 2.296 . . . . 0.0 111.287 171.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.7 -45.77 60.81 Favored 'General case' 0 CA--C 1.571 1.781 0 CA-C-N 121.218 1.826 . . . . 0.0 112.633 173.607 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -80.95 67.7 6.95 Favored 'General case' 0 CA--C 1.592 2.569 0 CA-C-N 119.338 0.972 . . . . 0.0 113.161 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -43.46 -21.61 0.03 OUTLIER 'General case' 0 N--CA 1.519 2.98 0 N-CA-C 117.193 2.294 . . . . 0.0 117.193 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -85.98 -2.83 58.67 Favored 'General case' 0 CA--C 1.585 2.324 0 CA-C-N 120.804 1.638 . . . . 0.0 112.215 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 69.87 -0.48 2.69 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 117.904 2.557 . . . . 0.0 117.904 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 27.6 p -70.14 -40.08 75.01 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 125.774 1.629 . . . . 0.0 112.481 178.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 88.26 57.6 1.87 Allowed Glycine 0 CA--C 1.538 1.478 0 N-CA-C 116.664 1.426 . . . . 0.0 116.664 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -148.17 109.87 4.46 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.2 mp -101.47 124.81 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.625 0 CA-C-N 121.063 1.756 . . . . 0.0 106.533 176.143 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 62.4 p -104.44 166.64 10.26 Favored 'General case' 0 CA--C 1.587 2.395 0 CA-C-N 113.274 -1.785 . . . . 0.0 107.704 174.648 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -54.45 -35.31 62.87 Favored 'General case' 0 N--CA 1.511 2.613 0 O-C-N 119.947 -1.721 . . . . 0.0 115.136 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -62.52 -42.03 99.24 Favored 'General case' 0 CA--C 1.583 2.231 0 O-C-N 120.951 -1.093 . . . . 0.0 111.832 177.112 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -35.66 81.75 Favored 'General case' 0 CA--C 1.579 2.061 0 O-C-N 120.609 -1.307 . . . . 0.0 109.565 174.792 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.19 -42.64 69.95 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 120.77 1.623 . . . . 0.0 110.272 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -57.27 -49.76 75.03 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-N 119.325 0.966 . . . . 0.0 111.114 174.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -52.97 -51.43 61.55 Favored 'General case' 0 N--CA 1.507 2.409 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 4.0 t -73.26 -34.35 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 CA-C-O 117.881 -1.057 . . . . 0.0 112.29 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.17 83.18 Favored 'General case' 0 CA--C 1.572 1.815 0 CA-C-N 121.09 1.768 . . . . 0.0 112.292 173.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -70.68 -46.28 63.47 Favored 'General case' 0 CA--C 1.574 1.875 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -74.04 -19.99 60.45 Favored 'General case' 0 CA--C 1.57 1.722 0 N-CA-C 119.103 3.001 . . . . 0.0 119.103 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.99 -73.82 0.14 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.656 1.571 . . . . 0.0 113.244 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -170.71 -45.52 0.03 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 117.38 1.712 . . . . 0.0 117.38 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -132.96 99.24 4.52 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 119.23 1.515 . . . . 0.0 107.775 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -64.48 146.75 54.07 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 117.104 2.261 . . . . 0.0 117.104 -177.485 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.406 HD23 ' HG3' ' A' ' 141' ' ' GLU . 6.5 mp -105.73 178.77 4.46 Favored 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 124.799 1.24 . . . . 0.0 112.873 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 15.0 t -97.83 158.45 15.51 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.362 -0.836 . . . . 0.0 110.008 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.22 -46.62 54.79 Favored 'General case' 0 N--CA 1.512 2.668 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.03 -46.3 89.78 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 124.839 1.256 . . . . 0.0 114.118 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.406 ' HG3' HD23 ' A' ' 137' ' ' LEU 0.261 13.5 tp10 -60.21 -48.64 80.87 Favored 'General case' 0 CA--C 1.585 2.294 0 C-N-CA 124.836 1.254 . . . . 0.0 111.564 176.865 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 16.0 mt -56.29 -36.15 68.32 Favored 'General case' 0 CA--C 1.583 2.233 0 O-C-N 120.104 -1.623 . . . . 0.0 111.082 172.231 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -36.85 81.17 Favored 'General case' 0 C--N 1.372 1.565 0 CA-C-O 117.796 -1.097 . . . . 0.0 111.003 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -59.66 -40.2 86.98 Favored 'General case' 0 CA--C 1.587 2.401 0 CA-C-N 120.438 1.472 . . . . 0.0 109.748 172.098 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -41.48 91.25 Favored 'General case' 0 CA--C 1.588 2.438 0 O-C-N 121.136 -0.977 . . . . 0.0 111.419 173.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 8.4 mm -60.26 -53.56 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 C-N-CA 124.943 1.297 . . . . 0.0 109.644 173.004 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -53.97 -48.05 70.73 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 117.477 -1.249 . . . . 0.0 111.97 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -59.84 -38.98 83.62 Favored 'General case' 0 N--CA 1.514 2.757 0 CA-C-N 121.175 1.807 . . . . 0.0 113.808 174.849 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.86 -26.85 54.72 Favored 'General case' 0 CA--C 1.573 1.86 0 N-CA-C 118.97 2.952 . . . . 0.0 118.97 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.261 34.4 t70 -97.19 27.05 4.33 Favored 'General case' 0 CA--C 1.583 2.243 0 N-CA-C 117.963 2.579 . . . . 0.0 117.963 -177.524 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -27.13 59.87 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 118.988 2.959 . . . . 0.0 118.988 -176.798 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -123.25 44.81 2.58 Favored 'General case' 0 CA--C 1.588 2.412 0 C-N-CA 125.756 1.622 . . . . 0.0 107.756 176.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -143.32 -153.3 5.84 Favored Glycine 0 CA--C 1.574 3.741 0 CA-C-N 121.842 2.11 . . . . 0.0 113.989 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -128.88 24.45 5.67 Favored 'General case' 0 CA--C 1.602 2.945 0 O-C-N 120.622 -1.516 . . . . 0.0 114.031 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 107.17 17.64 11.34 Favored Glycine 0 CA--C 1.569 3.422 0 O-C-N 117.957 -2.964 . . . . 0.0 115.136 -176.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -160.06 151.33 19.49 Favored 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 127.2 2.2 . . . . 0.0 106.738 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 4.3 t -99.75 116.24 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 119.35 -2.094 . . . . 0.0 107.617 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 6.1 p -101.35 -179.97 4.19 Favored 'General case' 0 CA--C 1.571 1.787 0 CA-C-O 124.55 2.119 . . . . 0.0 111.713 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -48.19 13.17 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 112.78 -2.009 . . . . 0.0 113.772 175.765 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -57.24 -43.62 83.11 Favored 'General case' 0 CA--C 1.568 1.639 0 O-C-N 119.796 -1.815 . . . . 0.0 114.255 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.256 15.8 mt-10 -75.79 -19.92 58.61 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 120.279 1.4 . . . . 0.0 113.583 175.207 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.524 ' CE1' ' HA ' ' A' ' 107' ' ' LEU . 23.7 t80 -73.08 -48.23 37.65 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 125.419 1.488 . . . . 0.0 111.975 173.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.07 -20.94 44.02 Favored 'General case' 0 CA--C 1.572 1.821 0 C-N-CA 125.504 1.522 . . . . 0.0 114.072 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -19.99 0.62 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 176.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.501 2.097 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 176.893 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 . . . . . 0 N--CA 1.498 1.95 1 N-CA-C 122.365 4.209 . . . . 0.0 122.365 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -42.81 -50.35 5.98 Favored Glycine 0 N--CA 1.509 3.507 0 CA-C-N 122.154 2.252 . . . . 0.0 117.41 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -61.96 -48.1 81.92 Favored 'General case' 0 CA--C 1.575 1.91 0 C-N-CA 124.724 1.21 . . . . 0.0 113.181 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -56.16 -42.87 77.72 Favored 'General case' 0 N--CA 1.503 2.177 0 C-N-CA 124.83 1.252 . . . . 0.0 111.335 174.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.67 -53.85 52.38 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.72 1.208 . . . . 0.0 110.808 175.672 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.506 2.341 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 176.522 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.512 2.625 0 CA-C-O 117.303 -1.332 . . . . 0.0 109.047 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 68.19 -59.12 0.44 Allowed 'General case' 0 N--CA 1.534 3.755 0 CA-C-N 124.039 3.109 . . . . 0.0 110.678 -175.143 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -30.27 34.27 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 126.91 2.084 . . . . 0.0 113.887 174.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.1 tt -58.95 -43.76 89.45 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.731 0 CA-C-N 120.662 1.574 . . . . 0.0 110.863 176.216 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.452 HD13 ' CZ ' ' A' ' 162' ' ' PHE . 1.2 mm? -70.67 -45.07 65.74 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 118.549 -0.739 . . . . 0.0 112.565 177.09 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -65.63 -49.81 67.31 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 117.393 -1.289 . . . . 0.0 112.255 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.72 99.55 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 121.058 1.754 . . . . 0.0 114.38 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.512 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 18.3 t80 -71.32 -42.06 69.09 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 121.156 1.798 . . . . 0.0 112.548 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -68.06 -34.18 75.95 Favored 'General case' 0 CA--C 1.581 2.168 0 CA-C-O 116.485 -1.722 . . . . 0.0 111.622 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.0 pp -74.94 -30.68 61.3 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 122.908 2.595 . . . . 0.0 112.56 173.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.553 ' CE1' HG11 ' A' ' 129' ' ' VAL . 1.8 m-30 -55.81 -47.4 77.23 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 119.419 1.008 . . . . 0.0 112.761 173.42 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -79.26 79.17 5.71 Favored 'General case' 0 CA--C 1.592 2.595 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.925 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.14 -21.01 0.02 OUTLIER 'General case' 0 N--CA 1.517 2.925 0 N-CA-C 117.54 2.422 . . . . 0.0 117.54 175.23 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -92.06 -4.77 53.98 Favored 'General case' 0 CA--C 1.59 2.492 0 CA-C-N 120.654 1.57 . . . . 0.0 112.635 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 67.92 2.78 3.25 Favored 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 118' ' ' THR . . . . . 0.4 ' CB ' ' HZ1' ' A' ' 120' ' ' LYS . 64.6 p -72.14 -52.76 15.16 Favored 'General case' 0 CA--C 1.566 1.571 0 C-N-CA 126.828 2.051 . . . . 0.0 110.068 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 107.32 57.09 0.6 Allowed Glycine 0 CA--C 1.539 1.574 0 N-CA-C 118.884 2.314 . . . . 0.0 118.884 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' LYS . . . . . 0.4 ' HZ1' ' CB ' ' A' ' 118' ' ' THR . 0.1 OUTLIER -137.71 109.97 7.35 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 120.099 1.95 . . . . 0.0 109.842 174.53 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.35 119.91 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.258 -0.901 . . . . 0.0 109.166 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.4 t -100.3 170.48 8.4 Favored 'General case' 0 CA--C 1.59 2.484 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 172.604 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -44.0 -38.0 3.27 Favored 'General case' 0 N--CA 1.513 2.707 0 N-CA-C 117.836 2.532 . . . . 0.0 117.836 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -56.93 -46.83 81.77 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.304 5.8 t-20 -66.35 -42.03 88.66 Favored 'General case' 0 N--CA 1.51 2.532 0 CA-C-O 114.794 -2.527 . . . . 0.0 108.575 177.036 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.419 ' HA ' HG13 ' A' ' 129' ' ' VAL . 4.8 mp -51.56 -38.68 55.47 Favored 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 123.279 2.763 . . . . 0.0 113.329 174.067 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.345 12.1 ptmt -72.84 -36.9 67.55 Favored 'General case' 0 CA--C 1.589 2.457 0 CA-C-O 115.932 -1.985 . . . . 0.0 110.794 176.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -61.43 -44.88 96.35 Favored 'General case' 0 N--CA 1.517 2.912 0 CA-C-N 124.046 3.112 . . . . 0.0 111.876 173.894 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.553 HG11 ' CE1' ' A' ' 113' ' ' PHE . 0.2 OUTLIER -59.73 -44.29 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 123.558 0.743 . . . . 0.0 111.325 177.374 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.15 75.85 Favored 'General case' 0 CA--C 1.563 1.448 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -32.26 63.84 Favored 'General case' 0 CA--C 1.585 2.308 0 CA-C-N 120.355 1.434 . . . . 0.0 113.993 174.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -80.11 -34.38 37.91 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 119.173 3.027 . . . . 0.0 119.173 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.68 -67.56 0.4 Allowed 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -170.99 -39.37 0.03 OUTLIER Glycine 0 N--CA 1.489 2.232 0 N-CA-C 119.185 2.434 . . . . 0.0 119.185 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -147.78 98.68 3.0 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-N 120.593 2.197 . . . . 0.0 110.639 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -67.18 131.36 45.64 Favored 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.83 -115.13 0.08 Allowed 'General case' 0 CA--C 1.574 1.883 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.5 t -154.85 165.52 36.38 Favored 'General case' 0 CA--C 1.559 1.291 0 CA-C-O 124.05 1.881 . . . . 0.0 108.302 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -40.56 -51.07 2.98 Favored 'General case' 0 CA--C 1.569 1.679 0 N-CA-C 117.052 2.242 . . . . 0.0 117.052 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.4 -42.54 98.78 Favored 'General case' 0 CA--C 1.569 1.708 0 C-N-CA 125.258 1.423 . . . . 0.0 113.317 178.155 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.6 -51.76 68.43 Favored 'General case' 0 N--CA 1.505 2.295 0 CA-C-N 119.05 0.841 . . . . 0.0 110.85 175.137 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.83 -37.23 73.44 Favored 'General case' 0 CA--C 1.568 1.642 0 O-C-N 121.143 -0.973 . . . . 0.0 113.231 175.462 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -71.28 -37.35 71.89 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 118.001 -0.999 . . . . 0.0 111.356 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -60.7 -40.63 92.93 Favored 'General case' 0 CA--C 1.585 2.292 0 CA-C-N 119.665 1.12 . . . . 0.0 109.552 173.324 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.5 mmm -62.35 -40.41 96.29 Favored 'General case' 0 CA--C 1.582 2.184 0 O-C-N 121.17 -0.956 . . . . 0.0 111.494 173.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.1 mm -59.23 -55.02 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 C-N-CA 124.455 1.102 . . . . 0.0 109.654 174.159 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -53.4 -42.31 66.84 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -73.19 -27.28 61.54 Favored 'General case' 0 CA--C 1.595 2.71 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 175.157 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.06 -44.38 20.16 Favored 'General case' 0 CA--C 1.58 2.107 0 C-N-CA 126.299 1.84 . . . . 0.0 115.51 175.466 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -67.95 60.83 0.07 Allowed 'General case' 0 CA--C 1.594 2.66 0 C-N-CA 127.515 2.326 . . . . 0.0 114.102 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -25.82 63.82 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 117.778 -3.076 . . . . 0.0 118.359 -176.622 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.47 -35.29 65.67 Favored 'General case' 0 CA--C 1.59 2.497 0 CA-C-N 119.424 1.011 . . . . 0.0 110.531 173.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 106.75 3.66 36.9 Favored Glycine 0 N--CA 1.495 2.591 1 N-CA-C 123.775 4.27 . . . . 0.0 123.775 176.397 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -89.43 -26.26 21.08 Favored 'General case' 0 N--CA 1.504 2.261 0 CA-C-N 122.347 3.074 . . . . 0.0 114.966 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 127.47 28.28 0.91 Allowed Glycine 0 CA--C 1.551 2.314 0 N-CA-C 117.091 1.596 . . . . 0.0 117.091 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -160.04 149.7 18.0 Favored 'General case' 0 CA--C 1.568 1.645 0 CA-C-N 119.154 1.477 . . . . 0.0 111.228 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 6.6 t -99.78 122.89 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 -177.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 62.8 m -99.89 171.04 8.11 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.305 0.0 OUTLIER -55.85 -45.37 78.48 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 116.023 -1.942 . . . . 0.0 113.357 179.261 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.467 ' HA ' HD11 ' A' ' 163' ' ' LEU . 7.0 mm100 -62.89 -35.64 80.7 Favored 'General case' 0 CA--C 1.579 2.08 0 CA-C-N 123.211 2.732 . . . . 0.0 112.666 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.22 -22.79 59.21 Favored 'General case' 0 N--CA 1.506 2.361 0 CA-C-N 120.966 1.712 . . . . 0.0 112.458 174.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.2 OUTLIER -69.9 -59.06 3.16 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.431 1.493 . . . . 0.0 112.83 176.671 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.467 HD11 ' HA ' ' A' ' 160' ' ' GLN . 0.4 OUTLIER -80.08 -40.33 27.83 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 117.928 -1.034 . . . . 0.0 112.864 -179.03 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -80.1 -19.89 46.34 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 117.258 2.318 . . . . 0.0 117.258 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 N--CA 1.514 2.752 0 C-N-CA 127.635 2.374 . . . . 0.0 117.081 -177.808 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 N--CA 1.515 2.805 0 N-CA-C 119.251 3.056 . . . . 0.0 119.251 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.04 -39.73 26.85 Favored Glycine 0 N--CA 1.495 2.628 0 C-N-CA 125.331 1.443 . . . . 0.0 115.645 177.412 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -56.37 -47.05 79.67 Favored 'General case' 0 CA--C 1.577 1.998 0 C-N-CA 125.101 1.361 . . . . 0.0 112.332 173.835 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -63.94 -45.82 87.46 Favored 'General case' 0 CA--C 1.583 2.227 0 CA-C-N 119.439 1.018 . . . . 0.0 110.565 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.0 tp -60.33 -51.65 68.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.614 -1.304 . . . . 0.0 111.717 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.499 2.022 0 C-N-CA 124.067 0.947 . . . . 0.0 113.468 176.73 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.597 2.769 0 CA-C-O 117.535 -1.222 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 66.87 -50.65 0.47 Allowed 'General case' 0 N--CA 1.539 3.988 0 CA-C-N 124.118 3.145 . . . . 0.0 111.311 -173.638 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -54.36 -28.6 44.14 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.436 2.295 . . . . 0.0 113.139 173.162 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.6 tt -54.43 -40.8 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 CA-C-N 121.755 2.07 . . . . 0.0 111.029 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.72 -44.52 73.69 Favored 'General case' 0 CA--C 1.559 1.295 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -68.68 -48.45 63.9 Favored 'General case' 0 CA--C 1.563 1.466 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.723 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.78 95.12 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-O 117.11 -1.424 . . . . 0.0 113.825 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.452 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 9.8 t80 -68.11 -44.26 76.58 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 121.35 1.886 . . . . 0.0 111.741 177.729 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -65.35 -33.05 75.05 Favored 'General case' 0 CA--C 1.582 2.18 0 CA-C-N 121.265 1.848 . . . . 0.0 111.998 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.4 pp -74.95 -32.49 61.74 Favored 'General case' 0 CA--C 1.582 2.192 0 CA-C-N 122.627 2.467 . . . . 0.0 112.089 173.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -47.62 82.92 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 125.329 1.452 . . . . 0.0 112.516 173.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -92.89 74.85 4.85 Favored 'General case' 0 CA--C 1.597 2.772 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -57.34 -24.7 56.81 Favored 'General case' 0 N--CA 1.51 2.574 0 CA-C-N 123.357 2.799 . . . . 0.0 117.043 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -82.31 -6.28 59.14 Favored 'General case' 0 CA--C 1.588 2.408 0 CA-C-N 121.24 1.836 . . . . 0.0 113.61 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 78.56 -9.38 1.51 Allowed 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 120.902 3.667 . . . . 0.0 120.902 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.7 p -52.06 -40.4 61.1 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 125.798 1.639 . . . . 0.0 113.84 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.86 73.4 1.28 Allowed Glycine 0 CA--C 1.533 1.183 0 N-CA-C 115.971 1.148 . . . . 0.0 115.971 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.45 109.89 2.43 Favored 'General case' 0 CA--C 1.569 1.7 0 C-N-CA 123.85 0.86 . . . . 0.0 111.981 178.021 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.7 mp -112.29 123.37 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 175.708 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.3 p -101.2 172.02 7.25 Favored 'General case' 0 CA--C 1.579 2.094 0 CA-C-N 113.201 -1.818 . . . . 0.0 108.02 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 142' ' ' LEU . 2.9 t80 -53.99 -37.35 63.92 Favored 'General case' 0 CA--C 1.588 2.434 0 N-CA-C 116.018 1.859 . . . . 0.0 116.018 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -42.83 91.07 Favored 'General case' 0 CA--C 1.586 2.365 0 O-C-N 120.038 -1.664 . . . . 0.0 112.952 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.26 2.1 t-20 -65.77 -32.33 73.8 Favored 'General case' 0 N--CA 1.514 2.763 0 O-C-N 120.593 -1.317 . . . . 0.0 109.026 175.315 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 87.6 mt -55.88 -44.73 78.43 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-N 121.388 1.904 . . . . 0.0 110.332 171.943 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -52.04 -51.53 56.88 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 125.272 1.429 . . . . 0.0 110.808 174.565 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -59.95 -43.37 95.06 Favored 'General case' 0 N--CA 1.515 2.781 0 C-N-CA 118.433 -1.307 . . . . 0.0 113.638 176.448 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 47.7 t -70.03 -34.05 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 CA-C-O 118.775 -0.631 . . . . 0.0 111.562 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.54 -52.07 66.17 Favored 'General case' 0 CA--C 1.563 1.458 0 CA-C-N 119.796 1.18 . . . . 0.0 111.369 175.413 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -68.51 -35.39 77.43 Favored 'General case' 0 CA--C 1.581 2.16 0 CA-C-N 119.648 1.113 . . . . 0.0 113.958 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -72.73 -29.35 63.28 Favored 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 116.266 1.95 . . . . 0.0 116.266 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 13.6 mt -67.47 -73.23 0.14 Allowed 'General case' 0 CA--C 1.563 1.47 0 C-N-CA 125.325 1.45 . . . . 0.0 113.17 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -153.18 -46.16 0.02 OUTLIER Glycine 0 N--CA 1.488 2.117 0 CA-C-O 118.693 -1.059 . . . . 0.0 115.061 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -147.65 133.25 18.79 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 119.275 1.538 . . . . 0.0 109.007 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -81.82 98.48 8.5 Favored 'General case' 0 CA--C 1.561 1.378 0 O-C-N 121.069 -1.019 . . . . 0.0 110.114 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.495 HD23 ' HG2' ' A' ' 141' ' ' GLU . 8.7 mp -70.33 177.63 3.26 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 121.509 0.671 . . . . 0.0 112.545 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.4 t -80.45 156.95 26.36 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 123.074 1.416 . . . . 0.0 112.681 -176.122 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -41.7 -50.4 4.22 Favored 'General case' 0 CA--C 1.572 1.817 0 N-CA-C 117.766 2.506 . . . . 0.0 117.766 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -62.37 -45.35 93.54 Favored 'General case' 0 CA--C 1.568 1.649 0 C-N-CA 125.638 1.575 . . . . 0.0 113.135 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 141' ' ' GLU . . . . . 0.495 ' HG2' HD23 ' A' ' 137' ' ' LEU . 6.2 tp10 -58.6 -52.3 66.24 Favored 'General case' 0 CA--C 1.583 2.215 0 C-N-CA 124.383 1.073 . . . . 0.0 111.343 175.345 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.4 ' HB2' ' CE1' ' A' ' 123' ' ' PHE . 18.1 mt -57.85 -44.6 86.64 Favored 'General case' 0 CA--C 1.583 2.244 0 O-C-N 120.722 -1.236 . . . . 0.0 112.309 175.163 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -37.36 87.13 Favored 'General case' 0 CA--C 1.572 1.803 0 O-C-N 121.238 -0.914 . . . . 0.0 111.956 177.454 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.13 -39.51 82.56 Favored 'General case' 0 CA--C 1.585 2.299 0 CA-C-N 120.294 1.407 . . . . 0.0 110.391 173.328 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.4 mmt -61.68 -38.4 87.67 Favored 'General case' 0 CA--C 1.584 2.261 0 O-C-N 121.335 -0.853 . . . . 0.0 111.245 173.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 7.1 mm -61.75 -53.32 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.684 -1.26 . . . . 0.0 109.883 173.325 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -51.93 -38.76 57.6 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 119.597 1.089 . . . . 0.0 113.379 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.63 -54.86 37.27 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 123.602 1.668 . . . . 0.0 114.654 170.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.2 97.27 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 118.021 2.6 . . . . 0.0 118.021 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.291 35.6 t70 -70.51 37.31 0.05 OUTLIER 'General case' 0 CA--C 1.595 2.676 0 C-N-CA 126.857 2.063 . . . . 0.0 116.525 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.16 -40.71 11.52 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 120.065 3.357 . . . . 0.0 120.065 -175.096 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -131.12 52.4 2.06 Favored 'General case' 0 CA--C 1.579 2.074 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -131.9 -153.29 7.38 Favored Glycine 0 CA--C 1.571 3.538 0 O-C-N 120.147 -1.596 . . . . 0.0 113.254 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -137.75 43.74 2.24 Favored 'General case' 0 CA--C 1.605 3.063 0 O-C-N 120.583 -1.539 . . . . 0.0 108.464 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 95.05 19.83 29.83 Favored Glycine 0 CA--C 1.567 3.332 0 O-C-N 117.616 -3.178 . . . . 0.0 114.755 -175.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -160.04 150.16 18.4 Favored 'General case' 0 CA--C 1.572 1.794 0 C-N-CA 126.178 1.791 . . . . 0.0 108.15 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.6 t -99.76 119.23 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 119.989 -1.694 . . . . 0.0 108.384 -174.603 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 16.6 m -100.01 173.05 6.84 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -51.79 -49.35 62.88 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -36.59 83.97 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 120.73 1.605 . . . . 0.0 113.868 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -75.27 -24.06 57.51 Favored 'General case' 0 CA--C 1.581 2.142 0 CA-C-N 121.725 2.057 . . . . 0.0 112.939 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -62.91 -59.33 4.98 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.141 1.776 . . . . 0.0 109.561 174.179 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.03 -60.05 2.48 Favored 'General case' 0 CA--C 1.579 2.061 0 CA-C-O 118.152 -0.928 . . . . 0.0 112.422 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -80.19 -23.82 40.74 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 121.095 3.739 . . . . 0.0 121.095 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.2 tp . . . . . 0 N--CA 1.518 2.949 0 CA-C-N 123.348 2.795 . . . . 0.0 117.251 -176.401 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 N--CA 1.517 2.902 0 N-CA-C 117.337 2.347 . . . . 0.0 117.337 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.02 -34.67 31.49 Favored Glycine 0 N--CA 1.496 2.647 0 O-C-N 121.251 -0.906 . . . . 0.0 115.332 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.27 -51.75 68.48 Favored 'General case' 0 CA--C 1.568 1.637 0 C-N-CA 125.642 1.577 . . . . 0.0 110.645 175.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.38 -47.25 82.16 Favored 'General case' 0 N--CA 1.5 2.068 0 CA-C-N 120.487 1.494 . . . . 0.0 110.299 173.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.0 tp -56.01 -53.83 52.17 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 117.698 -1.144 . . . . 0.0 112.846 178.102 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.19 0 CA-C-O 117.241 -1.361 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 68.84 -42.02 0.48 Allowed 'General case' 0 N--CA 1.529 3.499 0 CA-C-N 123.116 2.689 . . . . 0.0 111.127 -171.769 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -54.82 -36.98 65.57 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.163 1.785 . . . . 0.0 112.296 175.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.4 tt -59.64 -40.77 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.49 0 CA-C-N 121.434 1.925 . . . . 0.0 111.105 174.042 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.46 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 3.3 mp -69.53 -48.57 60.04 Favored 'General case' 0 CA--C 1.556 1.211 0 CA-C-O 118.626 -0.702 . . . . 0.0 112.651 178.283 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -64.99 -41.46 95.38 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-O 117.468 -1.253 . . . . 0.0 111.648 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.8 85.17 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 121.189 1.813 . . . . 0.0 113.961 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.497 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.4 t80 -67.17 -41.57 85.74 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 121.595 1.998 . . . . 0.0 111.477 176.425 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -67.44 -32.19 72.89 Favored 'General case' 0 CA--C 1.58 2.121 0 CA-C-N 120.078 1.308 . . . . 0.0 112.216 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp -77.12 -26.29 53.07 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-N 122.155 2.252 . . . . 0.0 111.108 171.817 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -51.95 67.01 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 119.903 1.228 . . . . 0.0 109.387 172.598 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -68.83 73.28 0.26 Allowed 'General case' 0 CA--C 1.586 2.351 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.73 -15.05 0.08 Allowed 'General case' 0 CA--C 1.606 3.121 0 O-C-N 118.68 -2.513 . . . . 0.0 115.523 173.529 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 50.9 p30 -88.49 -16.41 32.8 Favored 'General case' 0 CA--C 1.581 2.137 0 C-N-CA 126.089 1.755 . . . . 0.0 112.804 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 78.22 -1.02 2.56 Favored 'General case' 0 CA--C 1.586 2.357 0 C-N-CA 127.642 2.377 . . . . 0.0 115.239 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 33.8 p -81.57 -14.6 56.62 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 118.769 -2.457 . . . . 0.0 115.834 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.09 51.54 22.75 Favored Glycine 0 CA--C 1.539 1.558 0 CA-C-N 121.365 1.893 . . . . 0.0 117.814 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -145.53 109.89 4.97 Favored 'General case' 0 CA--C 1.56 1.337 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.4 mp -109.97 126.2 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 CA-C-O 123.558 1.647 . . . . 0.0 107.742 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.4 p -104.56 176.89 5.01 Favored 'General case' 0 CA--C 1.578 2.052 0 CA-C-N 112.142 -2.299 . . . . 0.0 107.53 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 142' ' ' LEU . 67.3 t80 -56.54 -35.74 68.46 Favored 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -64.88 -39.28 93.3 Favored 'General case' 0 CA--C 1.579 2.078 0 O-C-N 120.543 -1.348 . . . . 0.0 113.267 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.326 24.9 t-20 -73.59 -25.36 60.31 Favored 'General case' 0 CA--C 1.6 2.871 0 CA-C-N 120.194 1.361 . . . . 0.0 109.276 175.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 41.8 mt -57.28 -44.71 84.25 Favored 'General case' 0 N--CA 1.509 2.51 0 CA-C-N 122.109 2.231 . . . . 0.0 109.271 168.262 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -55.56 -44.24 76.65 Favored 'General case' 0 CA--C 1.568 1.662 0 CA-C-O 117.567 -1.206 . . . . 0.0 110.505 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.42 -54.94 29.61 Favored 'General case' 0 N--CA 1.504 2.229 0 CA-C-N 119.864 1.211 . . . . 0.0 111.649 174.069 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . 0.267 0.4 OUTLIER -61.82 -40.98 88.9 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.048 0 CA-C-N 119.749 1.159 . . . . 0.0 111.569 177.898 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.97 -49.75 70.62 Favored 'General case' 0 CA--C 1.581 2.159 0 CA-C-N 120.043 1.292 . . . . 0.0 112.16 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -76.03 -40.8 52.65 Favored 'General case' 0 CA--C 1.578 2.025 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.27 -40.01 84.73 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 115.972 1.842 . . . . 0.0 115.972 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -47.43 74.03 Favored 'General case' 0 CA--C 1.569 1.699 0 C-N-CA 124.766 1.226 . . . . 0.0 111.547 175.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 126.38 -42.78 1.43 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 117.895 1.918 . . . . 0.0 117.895 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -112.07 122.5 47.92 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 118.738 1.269 . . . . 0.0 109.4 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -139.78 171.51 14.12 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 116.723 2.119 . . . . 0.0 116.723 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -88.13 -125.96 0.05 Allowed 'General case' 0 CA--C 1.575 1.925 0 CA-C-N 114.619 -1.173 . . . . 0.0 112.085 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.7 t -141.26 168.1 20.58 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 123.766 1.746 . . . . 0.0 109.278 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -41.6 -51.67 3.93 Favored 'General case' 0 CA--C 1.57 1.741 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.73 -43.74 98.01 Favored 'General case' 0 CA--C 1.572 1.822 0 C-N-CA 125.588 1.555 . . . . 0.0 112.675 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.72 -52.87 63.83 Favored 'General case' 0 N--CA 1.505 2.319 0 C-N-CA 123.518 0.727 . . . . 0.0 110.769 175.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.411 ' HB2' ' CE1' ' A' ' 123' ' ' PHE . 14.2 mt -56.63 -36.15 69.14 Favored 'General case' 0 CA--C 1.573 1.844 0 O-C-N 120.796 -1.19 . . . . 0.0 113.014 175.142 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.257 3.4 tp-100 -71.65 -35.89 70.53 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-O 117.751 -1.118 . . . . 0.0 110.621 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -59.13 -40.94 86.99 Favored 'General case' 0 CA--C 1.584 2.275 0 CA-C-N 120.357 1.435 . . . . 0.0 109.536 171.662 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 38.5 mmt -59.7 -38.28 81.16 Favored 'General case' 0 CA--C 1.583 2.24 0 C-N-CA 124.279 1.032 . . . . 0.0 112.421 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 146' ' ' ILE . 4.6 mm -65.99 -60.08 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.662 -1.274 . . . . 0.0 110.672 173.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.82 -33.01 69.9 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -34.39 70.97 Favored 'General case' 0 N--CA 1.511 2.601 0 CA-C-N 121.039 1.745 . . . . 0.0 112.366 172.923 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.75 -37.49 41.08 Favored 'General case' 0 CA--C 1.585 2.31 0 N-CA-C 118.079 2.622 . . . . 0.0 118.079 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.89 20.42 0.0 OUTLIER 'General case' 0 CA--C 1.59 2.507 1 N-CA-C 122.628 4.307 . . . . 0.0 122.628 -177.65 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.87 -50.19 5.76 Favored 'General case' 0 N--CA 1.499 2.014 1 N-CA-C 124.669 5.063 . . . . 0.0 124.669 -169.049 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -117.63 47.77 1.48 Allowed 'General case' 0 CA--C 1.575 1.908 0 CA-C-N 121.342 1.883 . . . . 0.0 107.86 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -131.49 -129.26 3.03 Favored Glycine 0 CA--C 1.556 2.642 0 O-C-N 120.453 -1.404 . . . . 0.0 113.77 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -144.04 30.83 1.28 Allowed 'General case' 0 CA--C 1.591 2.528 0 CA-C-N 119.445 1.622 . . . . 0.0 109.134 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 92.48 29.61 10.84 Favored Glycine 0 N--CA 1.507 3.425 0 CA-C-N 123.219 2.736 . . . . 0.0 114.686 -175.298 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -160.04 157.93 29.56 Favored 'General case' 0 CA--C 1.581 2.135 0 C-N-CA 127.934 2.493 . . . . 0.0 104.829 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.79 123.89 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 118.837 -2.414 . . . . 0.0 110.901 -174.164 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.3 p -99.94 172.47 7.2 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 123.69 1.709 . . . . 0.0 112.126 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.281 0.0 OUTLIER -54.52 -43.45 71.91 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-O 116.891 -1.528 . . . . 0.0 113.285 178.11 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -34.47 77.96 Favored 'General case' 0 CA--C 1.567 1.627 0 CA-C-N 123.062 2.664 . . . . 0.0 113.046 177.306 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.06 -26.77 60.58 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-N 121.999 2.181 . . . . 0.0 112.326 173.956 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.0 OUTLIER -65.62 -60.22 3.13 Favored 'General case' 0 CA--C 1.563 1.442 0 CA-C-N 120.576 1.535 . . . . 0.0 110.886 175.913 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' A' ' 163' ' ' LEU . 1.8 pp -80.45 -60.1 2.45 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 177.797 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -80.1 -22.44 42.16 Favored 'General case' 0 N--CA 1.491 1.595 1 N-CA-C 123.256 4.539 . . . . 0.0 123.256 -174.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.252 5.5 mm . . . . . 0 CA--C 1.549 0.909 0 CA-C-N 124.396 3.271 . . . . 0.0 111.43 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 CA--C 1.611 3.324 0 CA-C-O 118.171 -0.919 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -42.31 -41.42 3.95 Favored Glycine 0 C--N 1.378 2.873 0 CA-C-N 122.678 2.49 . . . . 0.0 117.051 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -56.5 -53.53 56.37 Favored 'General case' 0 CA--C 1.585 2.3 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.551 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -55.39 -44.88 76.54 Favored 'General case' 0 N--CA 1.507 2.377 0 C-N-CA 124.361 1.065 . . . . 0.0 111.619 171.852 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.0 tp -58.75 -54.44 47.04 Favored 'General case' 0 CA--C 1.566 1.591 0 CA-C-O 116.755 -1.593 . . . . 0.0 111.171 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.509 2.482 0 CA-C-N 121.588 1.994 . . . . 0.0 112.539 177.792 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.521 3.093 0 N-CA-C 120.13 3.382 . . . . 0.0 120.13 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -44.27 -23.17 0.09 Allowed 'General case' 0 CA--C 1.612 3.352 0 CA-C-N 123.004 2.638 . . . . 0.0 115.934 170.873 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -52.92 -37.77 61.19 Favored 'General case' 0 C--N 1.373 1.596 0 C-N-CA 126.877 2.071 . . . . 0.0 112.371 173.91 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.1 tp -59.82 -49.74 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 CA-C-N 122.702 2.501 . . . . 0.0 111.98 178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.432 ' HA ' ' HE1' ' A' ' 162' ' ' PHE . 1.5 mm? -73.36 -48.03 37.44 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -67.72 -42.61 81.66 Favored 'General case' 0 CA--C 1.562 1.421 0 CA-C-O 115.786 -2.054 . . . . 0.0 112.553 176.401 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.57 -41.09 76.31 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 123.472 2.851 . . . . 0.0 113.139 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.552 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 11.9 t80 -69.29 -45.8 68.75 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 122.213 2.279 . . . . 0.0 111.102 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . 0.283 5.1 mmtt -66.01 -31.27 72.08 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-N 121.205 1.82 . . . . 0.0 112.72 -178.262 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 pp -71.64 -30.92 66.29 Favored 'General case' 0 CA--C 1.581 2.16 0 CA-C-N 122.983 2.629 . . . . 0.0 111.524 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.41 ' CZ ' HG21 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -63.02 -47.27 83.8 Favored 'General case' 0 CA--C 1.567 1.614 0 C-N-CA 124.564 1.146 . . . . 0.0 113.072 174.817 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -84.64 63.7 8.08 Favored 'General case' 0 CA--C 1.596 2.748 0 CA-C-N 119.949 1.25 . . . . 0.0 112.166 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -49.96 -19.55 0.73 Allowed 'General case' 0 N--CA 1.519 2.984 0 O-C-N 118.379 -2.7 . . . . 0.0 116.808 177.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -85.62 -3.08 58.78 Favored 'General case' 0 CA--C 1.591 2.555 0 CA-C-N 121.18 1.809 . . . . 0.0 112.625 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 80.67 -20.64 0.37 Allowed 'General case' 0 N--CA 1.514 2.754 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.9 p -52.53 -39.57 61.54 Favored 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 127.394 2.278 . . . . 0.0 113.75 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 80.62 59.8 2.44 Favored Glycine 0 C--N 1.346 1.133 0 N-CA-C 118.17 2.028 . . . . 0.0 118.17 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -152.81 114.7 4.34 Favored 'General case' 0 CA--C 1.564 1.488 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.2 mp -99.87 127.69 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.433 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.4 p -107.59 172.61 6.73 Favored 'General case' 0 CA--C 1.576 1.944 0 CA-C-N 113.136 -1.847 . . . . 0.0 109.024 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -56.76 -34.38 67.52 Favored 'General case' 0 N--CA 1.507 2.42 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -63.49 -40.19 96.44 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.325 -0.859 . . . . 0.0 112.443 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.05 -35.08 79.58 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-O 117.721 -1.133 . . . . 0.0 108.856 174.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 44.9 mt -54.16 -47.16 72.27 Favored 'General case' 0 N--CA 1.506 2.353 0 CA-C-N 121.271 1.851 . . . . 0.0 110.508 172.116 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -56.13 -47.03 78.93 Favored 'General case' 0 N--CA 1.503 2.208 0 C-N-CA 123.427 0.691 . . . . 0.0 111.534 174.356 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -58.24 -50.7 72.65 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.494 -0.754 . . . . 0.0 112.048 174.908 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.41 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 21.9 t -65.53 -34.28 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.437 0 O-C-N 121.027 -1.046 . . . . 0.0 111.698 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.92 86.28 Favored 'General case' 0 CA--C 1.573 1.86 0 CA-C-N 119.485 1.039 . . . . 0.0 111.324 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -65.29 -39.98 93.26 Favored 'General case' 0 CA--C 1.586 2.344 0 CA-C-N 120.898 1.681 . . . . 0.0 111.484 173.653 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.34 -51.98 65.0 Favored 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 177.215 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.464 1.0 OUTLIER -54.48 -52.79 60.77 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 128.473 2.709 . . . . 0.0 115.823 173.107 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.55 -37.54 3.76 Favored Glycine 0 N--CA 1.486 2.005 0 CA-C-N 114.973 -1.012 . . . . 0.0 115.054 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -82.01 89.7 6.44 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-O 122.41 1.1 . . . . 0.0 108.972 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -91.75 109.48 20.8 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 121.656 0.741 . . . . 0.0 110.979 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.2 -109.09 0.03 OUTLIER 'General case' 0 CA--C 1.563 1.475 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.03 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.8 t -154.49 161.82 41.47 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 124.763 2.22 . . . . 0.0 108.357 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -42.83 -50.12 5.72 Favored 'General case' 0 CA--C 1.568 1.673 0 CA-C-N 111.571 -2.559 . . . . 0.0 117.249 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -63.41 -41.66 98.72 Favored 'General case' 0 CA--C 1.569 1.674 0 C-N-CA 125.652 1.581 . . . . 0.0 113.599 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -61.11 -54.72 41.09 Favored 'General case' 0 CA--C 1.58 2.113 0 C-N-CA 123.795 0.838 . . . . 0.0 110.398 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 10.7 mt -56.41 -39.1 72.49 Favored 'General case' 0 CA--C 1.576 1.944 0 O-C-N 120.681 -1.262 . . . . 0.0 112.918 174.78 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -68.22 -42.35 79.93 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-O 116.356 -1.783 . . . . 0.0 110.841 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.0 -37.83 77.8 Favored 'General case' 0 CA--C 1.578 2.039 0 CA-C-N 121.104 1.775 . . . . 0.0 110.146 174.545 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -43.52 95.83 Favored 'General case' 0 N--CA 1.506 2.345 0 CA-C-N 121.107 1.776 . . . . 0.0 110.796 172.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.4 mm -56.93 -52.1 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 C-N-CA 123.942 0.897 . . . . 0.0 109.892 172.834 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -51.07 -39.55 56.28 Favored 'General case' 0 CA--C 1.566 1.578 0 C-N-CA 125.01 1.324 . . . . 0.0 114.256 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -51.83 49.45 Favored 'General case' 0 N--CA 1.506 2.351 0 CA-C-O 122.349 1.071 . . . . 0.0 110.487 173.212 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.486 ' HB1' ' CG2' ' A' ' 157' ' ' VAL . . . -64.78 -41.6 95.72 Favored 'General case' 0 CA--C 1.575 1.911 0 N-CA-C 120.267 3.432 . . . . 0.0 120.267 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -61.21 72.04 0.01 OUTLIER 'General case' 0 CA--C 1.598 2.804 0 N-CA-C 118.505 2.78 . . . . 0.0 118.505 -176.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -32.3 60.26 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 117.741 -3.1 . . . . 0.0 116.544 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -69.05 -33.27 73.31 Favored 'General case' 0 CA--C 1.579 2.081 0 CA-C-O 118.403 -0.808 . . . . 0.0 113.038 175.569 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 97.97 -9.43 63.68 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 120.305 2.882 . . . . 0.0 120.305 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -87.59 -34.39 18.55 Favored 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 120.481 2.14 . . . . 0.0 113.978 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 138.97 34.76 0.16 Allowed Glycine 0 CA--C 1.551 2.299 0 N-CA-C 116.756 1.462 . . . . 0.0 116.756 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -160.05 142.2 13.11 Favored 'General case' 0 CA--C 1.574 1.898 0 CA-C-N 119.47 1.635 . . . . 0.0 112.233 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.486 ' CG2' ' HB1' ' A' ' 149' ' ' ALA . 4.4 t -99.95 127.14 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.463 0 C-N-CA 125.167 1.387 . . . . 0.0 110.79 -176.281 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 70.8 p -100.03 175.28 5.81 Favored 'General case' 0 CA--C 1.568 1.653 0 N-CA-C 116.329 1.974 . . . . 0.0 116.329 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -52.64 -50.12 63.8 Favored 'General case' 0 N--CA 1.511 2.588 0 CA-C-O 117.714 -1.136 . . . . 0.0 113.129 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.442 ' HA ' ' CD1' ' A' ' 163' ' ' LEU . 0.0 OUTLIER -63.87 -30.81 71.86 Favored 'General case' 0 CA--C 1.563 1.453 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -25.21 40.52 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 119.412 1.006 . . . . 0.0 111.605 176.15 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 110' ' ' PHE 0.256 0.0 OUTLIER -65.68 -60.1 3.25 Favored 'General case' 0 CA--C 1.557 1.224 0 CA-C-N 120.504 1.502 . . . . 0.0 109.365 175.426 . . . . . . . . 4 4 . 1 . 005 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.61 HD12 ' H ' ' A' ' 164' ' ' ARG . 0.4 OUTLIER -80.32 -60.04 2.47 Favored 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 178.46 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.61 ' H ' HD12 ' A' ' 163' ' ' LEU . 0.7 OUTLIER -80.08 -19.91 46.39 Favored 'General case' 0 CA--C 1.582 2.191 0 N-CA-C 119.298 3.073 . . . . 0.0 119.298 -178.007 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.254 7.8 tp . . . . . 0 N--CA 1.517 2.899 0 CA-C-N 123.394 2.816 . . . . 0.0 117.595 -176.25 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 . . . . . 0 N--CA 1.507 2.402 0 N-CA-C 119.495 3.146 . . . . 0.0 119.495 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -53.74 -36.07 54.04 Favored Glycine 0 N--CA 1.506 3.365 0 CA-C-N 120.807 1.639 . . . . 0.0 115.764 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -69.05 -59.89 2.73 Favored 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 125.741 1.616 . . . . 0.0 111.428 176.179 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -50.44 -46.77 56.76 Favored 'General case' 0 N--CA 1.506 2.372 0 CA-C-N 120.443 1.474 . . . . 0.0 113.428 176.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.6 tp -65.02 -50.45 66.2 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-O 117.587 -1.197 . . . . 0.0 111.954 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.509 2.514 0 CA-C-N 120.523 1.511 . . . . 0.0 113.259 178.039 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 103' ' ' LYS . . . . . 0.52 ' HD2' ' H ' ' A' ' 104' ' ' GLU 0.344 0.0 OUTLIER . . . . . 0 N--CA 1.509 2.512 0 CA-C-O 115.869 -2.015 . . . . 0.0 114.779 . . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 104' ' ' GLU . . . . . 0.52 ' H ' ' HD2' ' A' ' 103' ' ' LYS . 4.1 mm-40 -42.97 -27.04 0.16 Allowed 'General case' 0 CA--C 1.595 2.691 0 CA-C-N 123.766 2.985 . . . . 0.0 117.03 172.372 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.22 -30.4 70.31 Favored 'General case' 0 C--N 1.362 1.133 0 CA-C-O 115.253 -2.308 . . . . 0.0 113.872 176.855 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.34 -46.76 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 CA-C-N 125.207 3.639 . . . . 0.0 112.16 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.61 -50.89 32.29 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -67.02 -42.39 84.99 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-O 116.931 -1.509 . . . . 0.0 112.653 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.21 88.38 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-O 115.372 -2.252 . . . . 0.0 112.458 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.45 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.3 t80 -65.29 -47.06 77.94 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-N 122.482 2.401 . . . . 0.0 111.919 177.123 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -65.08 -35.51 81.38 Favored 'General case' 0 CA--C 1.577 2.006 0 CA-C-N 120.363 1.438 . . . . 0.0 112.941 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.7 pp -74.56 -22.81 58.81 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 122.275 2.307 . . . . 0.0 113.145 172.42 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -39.14 92.53 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 175.308 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.21 63.12 0.98 Allowed 'General case' 0 CA--C 1.587 2.387 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.72 -19.03 0.02 OUTLIER 'General case' 0 CA--C 1.596 2.742 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 173.235 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -79.62 -18.66 51.04 Favored 'General case' 0 CA--C 1.588 2.425 0 CA-C-N 120.452 1.478 . . . . 0.0 111.092 175.707 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 68.43 58.68 0.42 Allowed 'General case' 0 CA--C 1.581 2.162 0 CA-C-O 125.951 2.786 . . . . 0.0 112.097 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 42.5 p -133.6 -26.36 1.61 Allowed 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 111.691 -2.504 . . . . 0.0 112.121 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 84.55 41.7 7.69 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 117.206 1.642 . . . . 0.0 117.206 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.88 130.63 10.81 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.999 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.1 mp -99.85 122.27 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 CA-C-O 123.553 1.645 . . . . 0.0 107.612 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 69.8 p -99.99 165.6 11.46 Favored 'General case' 0 CA--C 1.584 2.287 0 CA-C-N 111.9 -2.409 . . . . 0.0 106.157 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -54.68 -32.37 59.28 Favored 'General case' 0 N--CA 1.511 2.613 0 O-C-N 119.725 -1.86 . . . . 0.0 114.935 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -42.49 98.03 Favored 'General case' 0 CA--C 1.569 1.709 0 O-C-N 121.088 -1.008 . . . . 0.0 112.468 177.277 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -66.87 -35.36 79.86 Favored 'General case' 0 CA--C 1.585 2.319 0 CA-C-N 120.274 1.397 . . . . 0.0 109.002 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.6 mt -52.43 -46.75 66.52 Favored 'General case' 0 N--CA 1.508 2.453 0 CA-C-N 121.427 1.921 . . . . 0.0 110.431 172.585 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -58.58 -47.93 82.64 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 123.781 0.832 . . . . 0.0 112.665 174.151 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 -56.18 -52.23 65.13 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 6.5 t -67.79 -34.48 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.31 0 CA-C-O 118.098 -0.954 . . . . 0.0 111.899 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.38 -53.39 56.75 Favored 'General case' 0 CA--C 1.575 1.912 0 CA-C-N 120.397 1.453 . . . . 0.0 110.135 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -70.05 -42.04 73.42 Favored 'General case' 0 CA--C 1.574 1.897 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -67.39 -20.04 65.49 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.8 mt -68.12 -70.44 0.26 Allowed 'General case' 0 CA--C 1.567 1.596 0 CA-C-N 120.381 1.446 . . . . 0.0 111.309 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 177.6 -47.21 0.1 OUTLIER Glycine 0 N--CA 1.492 2.385 0 N-CA-C 116.694 1.438 . . . . 0.0 116.694 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.23 120.27 5.77 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 105.058 -2.201 . . . . 0.0 105.058 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.32 169.46 8.85 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 118.556 2.799 . . . . 0.0 118.556 -176.4 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.37 -115.99 0.06 Allowed 'General case' 0 CA--C 1.569 1.695 0 CA-C-N 111.677 -2.511 . . . . 0.0 109.379 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.468 ' O ' HD13 ' A' ' 142' ' ' LEU . 3.8 t -155.81 168.8 26.04 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 122.766 2.53 . . . . 0.0 112.605 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -41.02 -53.4 3.0 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 116.727 2.121 . . . . 0.0 116.727 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.5 -41.4 98.79 Favored 'General case' 0 CA--C 1.569 1.707 0 C-N-CA 125.57 1.548 . . . . 0.0 113.741 178.746 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . 0.253 11.4 tp10 -62.17 -50.84 70.21 Favored 'General case' 0 CA--C 1.581 2.142 0 C-N-CA 123.969 0.908 . . . . 0.0 109.767 175.218 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 138' ' ' THR . 3.1 mp -57.03 -37.58 71.94 Favored 'General case' 0 CA--C 1.563 1.461 0 O-C-N 120.022 -1.674 . . . . 0.0 113.349 172.829 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.25 3.8 tp-100 -69.24 -35.86 76.58 Favored 'General case' 0 CA--C 1.562 1.416 0 CA-C-O 116.802 -1.571 . . . . 0.0 110.746 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -65.78 -37.43 86.28 Favored 'General case' 0 CA--C 1.583 2.219 0 CA-C-N 121.008 1.731 . . . . 0.0 109.157 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 36.6 mmt -56.37 -43.92 79.66 Favored 'General case' 0 CA--C 1.586 2.352 0 CA-C-N 120.519 1.508 . . . . 0.0 110.055 172.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 9.1 mm -61.26 -55.59 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 C-N-CA 124.973 1.309 . . . . 0.0 110.202 173.769 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -41.09 28.37 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -79.97 -36.61 35.85 Favored 'General case' 0 CA--C 1.588 2.44 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 176.035 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.81 51.41 Favored 'General case' 0 CA--C 1.577 2.016 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -81.32 56.71 2.97 Favored 'General case' 0 CA--C 1.582 2.178 0 O-C-N 120.123 -1.61 . . . . 0.0 111.589 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -30.2 67.79 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 118.402 2.742 . . . . 0.0 118.402 -177.466 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.63 -34.08 64.83 Favored 'General case' 0 CA--C 1.588 2.436 0 C-N-CA 123.246 0.618 . . . . 0.0 111.133 174.074 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 93.73 50.0 2.41 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 120.442 2.937 . . . . 0.0 120.442 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -130.0 14.34 5.76 Favored 'General case' 0 CA--C 1.593 2.601 0 CA-C-O 117.778 -1.106 . . . . 0.0 113.408 177.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 78.99 15.56 80.41 Favored Glycine 0 N--CA 1.503 3.113 0 CA-C-N 123.923 3.056 . . . . 0.0 117.323 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -159.86 148.86 17.65 Favored 'General case' 0 CA--C 1.571 1.779 0 CA-C-O 123.263 1.506 . . . . 0.0 111.179 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 10.2 t -99.83 119.43 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 75.7 m -99.96 173.5 6.63 Favored 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 122.603 1.192 . . . . 0.0 112.423 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -54.43 -47.65 72.59 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 117.068 -1.444 . . . . 0.0 114.301 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -36.05 72.46 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 122.225 2.284 . . . . 0.0 114.806 176.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.307 6.5 tp10 -76.33 -30.07 57.52 Favored 'General case' 0 CA--C 1.596 2.73 0 CA-C-N 122.611 2.46 . . . . 0.0 110.176 174.685 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.45 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -59.95 -57.09 14.38 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 121.963 2.165 . . . . 0.0 112.272 175.69 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.425 ' H ' ' HG ' ' A' ' 163' ' ' LEU . 1.9 pp -80.18 -45.98 17.14 Favored 'General case' 0 CA--C 1.571 1.778 0 CA-C-O 118.095 -0.955 . . . . 0.0 113.341 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -21.2 43.81 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 N--CA 1.518 2.93 0 N-CA-C 118.255 2.687 . . . . 0.0 118.255 -178.971 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.515 2.787 0 N-CA-C 119.282 3.067 . . . . 0.0 119.282 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.73 -37.33 14.24 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 117.31 1.684 . . . . 0.0 117.31 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -53.23 59.16 Favored 'General case' 0 CA--C 1.567 1.606 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.471 176.798 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' PHE . . . . . 0.546 ' CZ ' HG22 ' A' ' 129' ' ' VAL . 8.0 t80 -60.54 -43.1 97.56 Favored 'General case' 0 CA--C 1.585 2.301 0 CA-C-N 119.484 1.038 . . . . 0.0 111.783 176.551 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 34.7 tp -62.25 -44.73 95.9 Favored 'General case' 0 CA--C 1.572 1.797 0 C-N-CA 123.687 0.795 . . . . 0.0 112.574 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.499 1.984 0 C-N-CA 124.03 0.932 . . . . 0.0 112.545 177.02 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.579 2.078 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.354 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 67.43 -47.37 0.49 Allowed 'General case' 0 N--CA 1.528 3.449 0 CA-C-N 121.428 1.922 . . . . 0.0 112.836 -174.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -62.4 -22.3 66.04 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 116.777 -1.582 . . . . 0.0 113.527 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.7 tt -53.95 -40.03 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.616 0 CA-C-N 122.866 2.575 . . . . 0.0 111.133 172.492 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.461 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 0.2 OUTLIER -69.91 -47.06 63.92 Favored 'General case' 0 CA--C 1.56 1.352 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 179.487 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -68.83 -41.08 79.05 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 117.663 -1.161 . . . . 0.0 112.106 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.56 -43.07 86.02 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-N 121.09 1.768 . . . . 0.0 113.168 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.473 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.5 t80 -69.44 -45.08 69.94 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 120.68 1.582 . . . . 0.0 111.373 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -32.27 73.46 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-N 120.529 1.513 . . . . 0.0 111.9 177.891 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.9 mt -76.41 -20.0 57.56 Favored 'General case' 0 CA--C 1.584 2.255 0 CA-C-N 121.897 2.135 . . . . 0.0 111.944 173.098 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -63.26 -48.34 78.58 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 122.333 2.333 . . . . 0.0 111.301 171.623 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.9 81.65 2.16 Favored 'General case' 0 CA--C 1.591 2.552 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -42.59 -21.05 0.02 OUTLIER 'General case' 0 N--CA 1.538 3.973 0 CA-C-N 122.601 2.455 . . . . 0.0 114.942 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -89.32 -22.16 22.78 Favored 'General case' 0 CA--C 1.577 2.015 0 O-C-N 120.148 -1.595 . . . . 0.0 112.66 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 76.55 15.66 2.11 Favored 'General case' 0 CA--C 1.582 2.176 0 CA-C-N 120.916 1.689 . . . . 0.0 115.06 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.4 t -85.69 -28.37 24.72 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 125.532 1.533 . . . . 0.0 110.929 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 78.55 71.78 1.21 Allowed Glycine 0 C--N 1.362 1.998 0 N-CA-C 118.45 2.14 . . . . 0.0 118.45 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.04 109.93 1.83 Allowed 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 124.263 1.025 . . . . 0.0 109.572 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.5 mp -110.18 131.86 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 CA-C-O 122.933 1.349 . . . . 0.0 109.101 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.0 p -107.99 174.86 5.69 Favored 'General case' 0 CA--C 1.58 2.134 0 CA-C-O 124.246 1.974 . . . . 0.0 107.487 174.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -50.89 -40.7 57.28 Favored 'General case' 0 N--CA 1.509 2.511 0 N-CA-C 117.214 2.302 . . . . 0.0 117.214 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -59.67 -46.01 90.35 Favored 'General case' 0 CA--C 1.58 2.116 0 C-N-CA 124.128 0.971 . . . . 0.0 113.476 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -30.22 68.0 Favored 'General case' 0 N--CA 1.511 2.62 0 O-C-N 120.523 -1.361 . . . . 0.0 109.418 175.086 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.475 ' HA ' HG13 ' A' ' 129' ' ' VAL . 73.2 mt -58.64 -36.81 74.7 Favored 'General case' 0 CA--C 1.6 2.868 0 CA-C-N 122.009 2.186 . . . . 0.0 110.342 171.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -60.69 -45.96 92.17 Favored 'General case' 0 N--CA 1.503 2.191 0 C-N-CA 124.598 1.159 . . . . 0.0 109.828 172.113 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -54.29 -49.16 70.27 Favored 'General case' 0 N--CA 1.507 2.418 0 CA-C-N 119.517 1.053 . . . . 0.0 113.189 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.583 HG23 HD12 ' A' ' 133' ' ' LEU . 0.4 OUTLIER -58.98 -45.45 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.999 0 C-N-CA 124.194 0.998 . . . . 0.0 111.561 177.117 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.36 82.18 Favored 'General case' 0 CA--C 1.575 1.938 0 CA-C-N 118.726 0.693 . . . . 0.0 112.449 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -67.73 -52.37 38.41 Favored 'General case' 0 CA--C 1.577 1.981 0 N-CA-C 115.802 1.778 . . . . 0.0 115.802 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -79.98 -19.99 46.54 Favored 'General case' 0 N--CA 1.49 1.552 1 N-CA-C 122.056 4.095 . . . . 0.0 122.056 -174.444 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.583 HD12 HG23 ' A' ' 129' ' ' VAL . 14.5 mt -90.44 -87.87 0.18 Allowed 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 116.925 2.195 . . . . 0.0 116.925 -177.074 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -125.23 -37.75 0.52 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 117.605 1.802 . . . . 0.0 117.605 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -157.36 130.65 7.82 Favored 'General case' 0 N--CA 1.502 2.128 0 CA-C-N 119.898 1.849 . . . . 0.0 113.804 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -82.37 103.33 11.86 Favored 'General case' 0 CA--C 1.565 1.534 0 O-C-N 120.932 -1.105 . . . . 0.0 113.76 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -76.12 177.4 7.17 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-O 122.115 0.96 . . . . 0.0 112.992 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.4 t -96.4 157.65 15.8 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 122.887 1.327 . . . . 0.0 110.063 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -41.49 -51.68 3.81 Favored 'General case' 0 CA--C 1.572 1.82 0 N-CA-C 117.39 2.367 . . . . 0.0 117.39 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.65 -47.17 87.44 Favored 'General case' 0 CA--C 1.573 1.838 0 C-N-CA 125.454 1.502 . . . . 0.0 112.668 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -58.11 -52.18 66.64 Favored 'General case' 0 CA--C 1.581 2.146 0 C-N-CA 124.143 0.977 . . . . 0.0 111.883 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.53 -34.39 72.58 Favored 'General case' 0 CA--C 1.569 1.687 0 O-C-N 120.504 -1.372 . . . . 0.0 112.597 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -68.87 -37.25 78.95 Favored 'General case' 0 CA--C 1.565 1.544 0 CA-C-O 117.421 -1.276 . . . . 0.0 110.42 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.8 -36.58 84.36 Favored 'General case' 0 CA--C 1.587 2.391 0 CA-C-N 120.5 1.5 . . . . 0.0 109.371 172.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.7 mmt -59.92 -42.37 93.76 Favored 'General case' 0 CA--C 1.588 2.44 0 O-C-N 119.908 -1.745 . . . . 0.0 110.188 172.469 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.6 mm -59.66 -56.11 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 C-N-CA 124.462 1.105 . . . . 0.0 109.123 173.018 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -41.13 20.48 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -76.17 -48.3 21.01 Favored 'General case' 0 CA--C 1.583 2.237 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.81 -37.78 80.14 Favored 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 117.527 2.417 . . . . 0.0 117.527 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -70.55 53.02 0.14 Allowed 'General case' 0 CA--C 1.589 2.466 0 C-N-CA 126.508 1.923 . . . . 0.0 114.427 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -50.93 -30.1 13.91 Favored 'General case' 0 CA--C 1.573 1.845 0 O-C-N 118.875 -2.391 . . . . 0.0 116.435 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -71.19 -42.93 68.37 Favored 'General case' 0 CA--C 1.586 2.34 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.832 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 119.6 -8.31 12.0 Favored Glycine 0 N--CA 1.496 2.635 1 N-CA-C 124.657 4.623 . . . . 0.0 124.657 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -87.03 -27.47 23.18 Favored 'General case' 0 N--CA 1.506 2.348 0 CA-C-N 122.912 3.356 . . . . 0.0 115.697 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 129.13 26.4 0.91 Allowed Glycine 0 CA--C 1.553 2.42 0 N-CA-C 117.142 1.617 . . . . 0.0 117.142 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -160.01 148.43 17.13 Favored 'General case' 0 CA--C 1.576 1.978 0 CA-C-N 118.816 1.308 . . . . 0.0 108.687 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.7 t -99.87 122.23 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.206 0 O-C-N 120.227 -1.546 . . . . 0.0 109.644 -173.915 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 87.1 p -99.93 171.55 7.78 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-O 122.898 1.333 . . . . 0.0 113.579 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.256 0.0 OUTLIER -54.98 -44.78 74.74 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 117.254 -1.355 . . . . 0.0 113.247 177.178 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.408 ' HA ' HD11 ' A' ' 163' ' ' LEU . 0.0 OUTLIER -63.44 -37.05 85.78 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 121.757 2.072 . . . . 0.0 113.001 178.018 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -79.27 -19.88 49.46 Favored 'General case' 0 CA--C 1.58 2.119 0 CA-C-N 121.486 1.948 . . . . 0.0 113.12 175.317 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.0 OUTLIER -66.42 -57.06 8.2 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 121.258 1.844 . . . . 0.0 109.92 174.22 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.509 HD12 ' H ' ' A' ' 164' ' ' ARG . 0.4 OUTLIER -80.13 -56.7 4.04 Favored 'General case' 0 CA--C 1.575 1.911 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.509 ' H ' HD12 ' A' ' 163' ' ' LEU . 0.4 OUTLIER -80.12 -19.83 46.42 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 118.726 2.862 . . . . 0.0 118.726 -179.372 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.257 5.9 tp . . . . . 0 N--CA 1.513 2.711 0 N-CA-C 118.141 2.645 . . . . 0.0 118.141 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 . . . . . 0 N--CA 1.504 2.26 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -46.75 -40.49 12.05 Favored Glycine 0 N--CA 1.501 3.015 0 CA-C-N 121.997 2.18 . . . . 0.0 117.044 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -65.31 -51.2 62.18 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 124.799 1.24 . . . . 0.0 110.367 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -59.85 -39.44 85.17 Favored 'General case' 0 N--CA 1.505 2.286 0 C-N-CA 124.355 1.062 . . . . 0.0 111.659 173.835 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.94 -52.8 54.37 Favored 'General case' 0 CA--C 1.562 1.435 0 O-C-N 120.617 -1.302 . . . . 0.0 110.879 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.499 2.005 0 CA-C-N 119.522 1.056 . . . . 0.0 112.777 176.101 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER . . . . . 0 N--CA 1.512 2.647 0 CA-C-O 117.583 -1.198 . . . . 0.0 109.379 . . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 68.72 -58.27 0.49 Allowed 'General case' 0 N--CA 1.536 3.847 0 CA-C-N 123.406 2.821 . . . . 0.0 110.295 -173.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.1 -42.37 28.75 Favored 'General case' 0 CA--C 1.568 1.635 0 C-N-CA 127.962 2.505 . . . . 0.0 112.826 173.74 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.403 HG23 HD23 ' A' ' 107' ' ' LEU . 6.9 tt -61.7 -45.09 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 CA-C-N 118.521 0.6 . . . . 0.0 111.978 177.744 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.403 HD23 HG23 ' A' ' 106' ' ' ILE . 5.5 mt -70.56 -41.33 72.6 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 178.213 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -67.5 -43.88 79.8 Favored 'General case' 0 CA--C 1.567 1.631 0 CA-C-O 117.209 -1.377 . . . . 0.0 111.765 175.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.47 93.38 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 121.648 2.022 . . . . 0.0 114.432 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.485 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 5.1 t80 -69.82 -42.68 73.35 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 120.058 1.299 . . . . 0.0 111.77 176.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -63.9 -37.73 88.46 Favored 'General case' 0 CA--C 1.578 2.039 0 CA-C-O 116.998 -1.477 . . . . 0.0 110.803 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.25 -29.16 67.01 Favored 'General case' 0 CA--C 1.581 2.148 0 CA-C-N 122.26 2.3 . . . . 0.0 112.068 173.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -39.8 70.48 Favored 'General case' 0 CA--C 1.583 2.215 0 C-N-CA 124.627 1.171 . . . . 0.0 112.589 173.085 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -99.37 80.74 2.44 Favored 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -15.99 0.58 Allowed 'General case' 0 N--CA 1.513 2.721 0 CA-C-N 123.785 2.993 . . . . 0.0 116.901 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -85.55 3.01 42.49 Favored 'General case' 0 CA--C 1.591 2.548 0 CA-C-N 121.997 2.18 . . . . 0.0 111.252 175.264 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.262 35.1 tt0 69.3 -1.45 2.17 Favored 'General case' 0 N--CA 1.505 2.297 0 N-CA-C 118.599 2.814 . . . . 0.0 118.599 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.7 p -68.16 -42.36 80.17 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.498 1.519 . . . . 0.0 110.755 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.87 69.18 1.32 Allowed Glycine 0 C--N 1.348 1.209 0 CA-C-O 118.762 -1.021 . . . . 0.0 115.348 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.43 109.94 6.63 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 118.062 0.931 . . . . 0.0 110.87 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.9 mp -116.39 133.24 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 CA-C-O 122.834 1.302 . . . . 0.0 108.987 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.6 p -112.16 167.87 10.06 Favored 'General case' 0 CA--C 1.578 2.055 0 CA-C-N 113.736 -1.575 . . . . 0.0 107.917 173.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.47 -43.48 45.12 Favored 'General case' 0 N--CA 1.522 3.161 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -54.54 -43.68 72.18 Favored 'General case' 0 CA--C 1.575 1.941 0 CA-C-N 114.134 -1.394 . . . . 0.0 113.436 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -69.53 -34.65 74.56 Favored 'General case' 0 CA--C 1.586 2.345 0 CA-C-O 117.253 -1.356 . . . . 0.0 109.239 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 76.2 mt -53.52 -44.92 69.51 Favored 'General case' 0 N--CA 1.51 2.548 0 CA-C-N 122.262 2.301 . . . . 0.0 110.021 171.91 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -56.58 -49.76 73.94 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 119.565 1.075 . . . . 0.0 111.328 173.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -56.87 -52.0 66.84 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 119.01 -0.519 . . . . 0.0 111.766 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.57 -32.37 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.537 0 C-N-CA 124.142 0.977 . . . . 0.0 112.898 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.39 -55.56 33.5 Favored 'General case' 0 CA--C 1.565 1.549 0 CA-C-O 118.153 -0.927 . . . . 0.0 109.742 174.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -22.85 60.97 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-N 119.984 1.265 . . . . 0.0 114.394 175.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.62 -32.44 41.77 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.0 mt -70.73 -77.98 0.08 Allowed 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 119.992 1.269 . . . . 0.0 112.967 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 178.96 -37.59 0.08 OUTLIER Glycine 0 N--CA 1.491 2.353 0 N-CA-C 120.191 2.836 . . . . 0.0 120.191 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -144.5 95.57 2.73 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 119.273 1.537 . . . . 0.0 109.17 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -105.88 169.4 8.51 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 117.857 2.54 . . . . 0.0 117.857 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.58 -122.76 0.11 Allowed 'General case' 0 CA--C 1.575 1.914 0 CA-C-N 113.704 -1.589 . . . . 0.0 110.496 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.49 ' O ' HD13 ' A' ' 142' ' ' LEU . 5.8 t -141.53 170.53 15.55 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-O 124.627 2.156 . . . . 0.0 108.639 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -40.04 -54.15 2.29 Favored 'General case' 0 CA--C 1.577 2.016 0 CA-C-N 112.113 -2.312 . . . . 0.0 116.232 176.139 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.44 -43.85 93.05 Favored 'General case' 0 CA--C 1.572 1.794 0 C-N-CA 125.961 1.705 . . . . 0.0 113.011 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -60.17 -49.84 76.06 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-N 118.704 0.684 . . . . 0.0 110.488 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 138' ' ' THR . 2.8 mp -56.88 -41.0 77.26 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 120.363 1.438 . . . . 0.0 113.433 174.142 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.68 -34.6 78.68 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-N 119.747 1.158 . . . . 0.0 110.915 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.36 -39.29 93.59 Favored 'General case' 0 CA--C 1.588 2.43 0 CA-C-N 120.537 1.517 . . . . 0.0 109.694 171.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.0 mmt -59.3 -35.09 73.13 Favored 'General case' 0 CA--C 1.581 2.135 0 O-C-N 120.915 -1.115 . . . . 0.0 111.282 173.413 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 9.7 mm -66.81 -58.8 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 CA-C-O 117.185 -1.388 . . . . 0.0 108.195 173.366 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -51.31 -48.24 62.38 Favored 'General case' 0 N--CA 1.504 2.259 0 CA-C-N 120.173 1.351 . . . . 0.0 112.238 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -60.58 -39.08 86.74 Favored 'General case' 0 CA--C 1.589 2.461 0 CA-C-N 120.38 1.445 . . . . 0.0 113.286 174.992 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -71.22 -47.09 59.35 Favored 'General case' 0 CA--C 1.583 2.238 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.94 35.3 0.13 Allowed 'General case' 0 CA--C 1.575 1.906 0 N-CA-C 117.255 2.317 . . . . 0.0 117.255 -178.858 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -30.33 60.16 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 118.659 2.837 . . . . 0.0 118.659 -175.636 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.94 39.72 3.9 Favored 'General case' 0 CA--C 1.589 2.48 0 C-N-CA 123.816 0.846 . . . . 0.0 109.389 173.354 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -127.89 -91.07 0.7 Allowed Glycine 0 C--N 1.371 2.524 0 CA-C-O 116.804 -2.109 . . . . 0.0 110.913 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 21.2 t70 168.16 -48.6 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.488 0 CA-C-N 120.055 1.928 . . . . 0.0 110.953 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -169.1 10.76 0.05 OUTLIER Glycine 0 CA--C 1.562 2.983 0 N-CA-C 119.447 2.539 . . . . 0.0 119.447 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -155.74 139.8 16.42 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 103.352 -2.832 . . . . 0.0 103.352 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.73 122.22 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 120.344 -1.472 . . . . 0.0 113.14 -169.794 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.432 ' H ' ' CD ' ' A' ' 161' ' ' GLU . 8.9 t -100.01 167.32 10.56 Favored 'General case' 0 CA--C 1.57 1.729 0 CA-C-O 123.194 1.473 . . . . 0.0 108.714 176.019 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.307 9.0 pt-20 -53.87 -39.18 65.47 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 116.059 -1.924 . . . . 0.0 116.034 -177.35 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.82 -46.33 89.94 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-N 123.63 2.923 . . . . 0.0 114.263 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.432 ' CD ' ' H ' ' A' ' 158' ' ' SER . 10.4 pm0 -70.12 -23.1 62.97 Favored 'General case' 0 CA--C 1.579 2.065 0 CA-C-N 122.246 2.294 . . . . 0.0 112.552 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -65.89 -57.65 7.4 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.444 1.498 . . . . 0.0 113.577 175.694 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.8 pp -80.01 -35.26 37.59 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 9.1 mtp-105 -75.96 -58.37 3.32 Favored 'General case' 0 CA--C 1.566 1.594 0 CA-C-N 121.392 1.905 . . . . 0.0 111.583 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.262 9.5 tp . . . . . 0 N--CA 1.51 2.556 0 N-CA-C 118.371 2.73 . . . . 0.0 118.371 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 N--CA 1.515 2.792 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -48.88 -43.57 30.73 Favored Glycine 0 N--CA 1.5 2.963 0 CA-C-N 121.121 1.782 . . . . 0.0 115.968 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.3 -46.93 88.27 Favored 'General case' 0 CA--C 1.581 2.165 0 C-N-CA 124.314 1.046 . . . . 0.0 111.371 175.128 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -58.31 -37.38 74.97 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.75 -1.219 . . . . 0.0 112.208 173.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.12 -53.54 36.59 Favored 'General case' 0 CA--C 1.566 1.587 0 C-N-CA 124.496 1.118 . . . . 0.0 110.443 175.32 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.0 m . . . . . 0 N--CA 1.506 2.332 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 175.81 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.584 2.272 0 CA-C-O 115.506 -2.188 . . . . 0.0 111.911 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.3 -61.6 0.23 Allowed 'General case' 0 N--CA 1.535 3.815 0 CA-C-N 125.523 3.783 . . . . 0.0 111.415 -175.277 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -51.43 -30.77 20.55 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 128.416 2.686 . . . . 0.0 112.198 173.772 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.8 tt -55.26 -41.2 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.61 0 CA-C-N 121.94 2.154 . . . . 0.0 110.844 172.755 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.453 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 2.7 mp -68.27 -45.44 73.12 Favored 'General case' 0 CA--C 1.561 1.38 0 CA-C-O 118.937 -0.554 . . . . 0.0 112.255 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -46.32 81.29 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-O 117.854 -1.069 . . . . 0.0 111.202 174.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.5 -45.94 90.25 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 120.618 1.554 . . . . 0.0 114.231 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.444 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.1 t80 -67.53 -45.39 75.85 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 120.559 1.527 . . . . 0.0 111.375 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -33.4 75.81 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-O 116.857 -1.544 . . . . 0.0 113.343 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.2 pp -74.57 -28.66 61.03 Favored 'General case' 0 CA--C 1.573 1.844 0 CA-C-N 122.16 2.254 . . . . 0.0 111.55 171.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.64 -38.98 72.9 Favored 'General case' 0 CA--C 1.57 1.735 0 CA-C-N 119.381 0.992 . . . . 0.0 112.945 172.668 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -73.51 60.01 0.63 Allowed 'General case' 0 CA--C 1.584 2.256 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -56.52 -15.95 5.17 Favored 'General case' 0 CA--C 1.608 3.207 0 O-C-N 118.802 -2.436 . . . . 0.0 113.322 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -87.36 -17.1 33.13 Favored 'General case' 0 CA--C 1.576 1.956 0 C-N-CA 127.027 2.131 . . . . 0.0 113.858 176.24 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 68.98 18.81 8.35 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 72.7 p -84.5 -39.65 18.6 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 126.059 1.744 . . . . 0.0 110.92 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.42 43.29 6.24 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 116.366 1.306 . . . . 0.0 116.366 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.14 119.31 5.89 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-N 117.941 0.87 . . . . 0.0 110.419 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.435 HD13 ' CD2' ' A' ' 110' ' ' PHE . 1.1 mp -99.97 120.81 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 N-CA-C 105.111 -2.181 . . . . 0.0 105.111 177.056 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 59.6 p -99.96 163.25 12.52 Favored 'General case' 0 CA--C 1.583 2.237 0 CA-C-N 111.66 -2.518 . . . . 0.0 107.277 175.006 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -52.73 -39.26 61.94 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 119.888 -1.757 . . . . 0.0 115.198 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.6 -39.78 94.85 Favored 'General case' 0 CA--C 1.581 2.154 0 O-C-N 121.015 -1.053 . . . . 0.0 112.235 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.46 -35.97 81.61 Favored 'General case' 0 CA--C 1.581 2.149 0 O-C-N 120.455 -1.403 . . . . 0.0 109.222 174.096 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.5 mt -52.26 -45.78 65.56 Favored 'General case' 0 N--CA 1.503 2.22 0 CA-C-N 120.855 1.662 . . . . 0.0 110.03 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -56.84 -48.73 77.37 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.511 1.124 . . . . 0.0 111.502 173.95 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -52.62 -55.11 24.72 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-N 119.401 1.001 . . . . 0.0 111.904 175.935 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 33.1 t -67.18 -37.28 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.259 0 CA-C-O 118.584 -0.722 . . . . 0.0 112.733 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.08 82.63 Favored 'General case' 0 CA--C 1.568 1.668 0 CA-C-N 119.88 1.218 . . . . 0.0 113.544 176.083 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -27.25 40.72 Favored 'General case' 0 CA--C 1.578 2.026 0 CA-C-O 117.841 -1.076 . . . . 0.0 113.526 175.004 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.11 -26.38 39.54 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.3 mt -64.07 -73.56 0.12 Allowed 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -173.58 -39.78 0.04 OUTLIER Glycine 0 N--CA 1.49 2.243 0 N-CA-C 117.853 1.901 . . . . 0.0 117.853 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -142.65 104.29 4.35 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 119.348 1.574 . . . . 0.0 107.808 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -69.96 136.92 51.02 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.4 tp -95.39 -114.75 0.12 Allowed 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 118.079 -0.963 . . . . 0.0 109.161 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 14.9 t -152.28 158.2 42.45 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 121.735 2.061 . . . . 0.0 111.958 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -49.11 -45.66 43.72 Favored 'General case' 0 N--CA 1.512 2.675 0 CA-C-N 113.768 -1.56 . . . . 0.0 113.897 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.8 -46.69 88.45 Favored 'General case' 0 CA--C 1.578 2.032 0 C-N-CA 124.842 1.257 . . . . 0.0 113.326 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -57.52 -50.24 73.72 Favored 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 123.964 0.906 . . . . 0.0 112.213 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 11.3 mt -56.86 -40.65 76.54 Favored 'General case' 0 CA--C 1.574 1.883 0 C-N-CA 124.063 0.945 . . . . 0.0 112.195 175.138 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.257 0.0 OUTLIER -67.89 -36.54 80.39 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-O 117.027 -1.464 . . . . 0.0 111.728 179.023 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -62.69 -37.57 86.99 Favored 'General case' 0 CA--C 1.586 2.349 0 CA-C-N 121.578 1.99 . . . . 0.0 109.647 172.702 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.7 ttp -56.02 -44.92 79.18 Favored 'General case' 0 CA--C 1.587 2.383 0 O-C-N 120.237 -1.539 . . . . 0.0 111.164 172.65 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 24.4 mm -60.45 -55.0 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 C-N-CA 124.683 1.193 . . . . 0.0 109.658 173.332 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.36 -41.64 29.27 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -70.65 -43.32 69.43 Favored 'General case' 0 CA--C 1.588 2.439 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.44 -27.64 56.29 Favored 'General case' 0 CA--C 1.574 1.898 0 N-CA-C 119.852 3.278 . . . . 0.0 119.852 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.302 28.0 t70 -87.27 29.24 0.86 Allowed 'General case' 0 CA--C 1.581 2.147 0 N-CA-C 117.279 2.325 . . . . 0.0 117.279 -177.869 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -40.12 58.84 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 119.15 3.019 . . . . 0.0 119.15 -176.171 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.27 8.93 36.03 Favored 'General case' 0 CA--C 1.585 2.292 0 CA-C-O 116.69 -1.624 . . . . 0.0 113.747 178.139 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -143.06 -151.51 5.5 Favored Glycine 0 CA--C 1.571 3.567 0 CA-C-N 124.291 3.223 . . . . 0.0 112.938 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -123.8 -2.45 8.3 Favored 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 172.23 21.52 0.02 OUTLIER Glycine 0 N--CA 1.497 2.727 0 CA-C-N 123.183 2.719 . . . . 0.0 118.414 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -159.91 150.13 18.6 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 119.52 1.66 . . . . 0.0 109.709 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 4.0 t -99.86 122.21 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 120.795 -1.191 . . . . 0.0 107.818 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 83.6 p -99.94 173.37 6.7 Favored 'General case' 0 CA--C 1.559 1.29 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.62 -46.48 63.62 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -41.54 93.3 Favored 'General case' 0 CA--C 1.576 1.975 0 CA-C-N 120.346 1.43 . . . . 0.0 112.606 174.662 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -74.24 -19.91 60.35 Favored 'General case' 0 N--CA 1.509 2.476 0 CA-C-N 121.709 2.05 . . . . 0.0 113.822 176.17 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 107' ' ' LEU . 1.2 t80 -66.82 -56.11 11.88 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 125.919 1.688 . . . . 0.0 109.432 173.803 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.417 ' H ' ' HG ' ' A' ' 163' ' ' LEU . 0.2 OUTLIER -80.06 -51.83 8.54 Favored 'General case' 0 CA--C 1.579 2.08 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 177.64 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -79.95 -27.96 39.72 Favored 'General case' 0 CA--C 1.589 2.469 0 N-CA-C 118.123 2.638 . . . . 0.0 118.123 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.25 8.0 tp . . . . . 0 N--CA 1.518 2.93 0 C-N-CA 129.64 3.176 . . . . 0.0 119.509 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.7 m-30 . . . . . 0 N--CA 1.497 1.876 0 CA-C-O 117.477 -1.249 . . . . 0.0 113.605 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -57.43 -40.44 92.15 Favored Glycine 0 N--CA 1.497 2.752 0 CA-C-N 120.975 1.716 . . . . 0.0 113.178 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.35 -51.92 65.68 Favored 'General case' 0 CA--C 1.581 2.153 0 C-N-CA 124.066 0.946 . . . . 0.0 111.089 175.326 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -56.52 -46.0 80.82 Favored 'General case' 0 CA--C 1.587 2.381 0 O-C-N 121.002 -1.061 . . . . 0.0 112.108 174.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 36.6 tp -62.67 -48.92 77.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.777 -1.202 . . . . 0.0 111.46 175.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.497 1.914 0 C-N-CA 123.795 0.838 . . . . 0.0 112.049 176.534 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.259 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.471 0 N-CA-C 119.098 2.999 . . . . 0.0 119.098 . . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.271 1.5 pt-20 66.92 -44.16 0.44 Allowed 'General case' 0 N--CA 1.533 3.705 0 CA-C-N 123.137 2.698 . . . . 0.0 112.626 -172.276 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -34.38 52.06 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 126.263 1.825 . . . . 0.0 112.575 173.482 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.0 tp -58.04 -48.81 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-N 121.206 1.821 . . . . 0.0 109.848 174.282 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.464 ' HA ' ' HE1' ' A' ' 162' ' ' PHE . 0.4 OUTLIER -67.41 -43.5 81.1 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 117.931 -1.033 . . . . 0.0 113.604 177.314 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -66.79 -45.97 76.74 Favored 'General case' 0 CA--C 1.562 1.419 0 CA-C-O 116.688 -1.625 . . . . 0.0 112.591 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.52 88.27 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 122.252 2.297 . . . . 0.0 114.862 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.522 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 16.1 t80 -70.67 -45.62 64.74 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 117.167 -1.397 . . . . 0.0 111.873 177.659 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -66.68 -33.35 75.44 Favored 'General case' 0 CA--C 1.576 1.964 0 CA-C-O 116.52 -1.705 . . . . 0.0 111.925 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.03 -33.76 75.19 Favored 'General case' 0 CA--C 1.579 2.071 0 CA-C-N 123.204 2.729 . . . . 0.0 110.998 172.57 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.24 -44.76 88.43 Favored 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -91.84 61.44 4.13 Favored 'General case' 0 CA--C 1.596 2.714 0 CA-C-N 118.793 0.724 . . . . 0.0 111.939 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -52.91 -17.39 1.38 Allowed 'General case' 0 N--CA 1.515 2.795 0 O-C-N 118.285 -2.76 . . . . 0.0 117.066 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -88.51 -5.87 57.95 Favored 'General case' 0 CA--C 1.583 2.249 0 CA-C-N 121.797 2.09 . . . . 0.0 111.552 175.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 68.59 55.82 0.47 Allowed 'General case' 0 CA--C 1.586 2.347 0 CA-C-O 125.941 2.781 . . . . 0.0 114.143 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 72.5 p -117.69 -42.34 2.86 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 111.839 -2.437 . . . . 0.0 109.77 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 77.31 49.59 7.3 Favored Glycine 0 N--CA 1.48 1.595 0 N-CA-C 117.158 1.623 . . . . 0.0 117.158 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.8 109.98 5.63 Favored 'General case' 0 CA--C 1.569 1.71 0 CA-C-N 118.926 1.363 . . . . 0.0 110.229 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.5 mp -110.49 127.57 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.8 p -99.95 166.75 10.9 Favored 'General case' 0 CA--C 1.58 2.118 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.727 176.202 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -50.74 -38.3 46.85 Favored 'General case' 0 N--CA 1.514 2.762 0 O-C-N 120.325 -1.484 . . . . 0.0 114.697 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -48.61 80.87 Favored 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 124.127 0.971 . . . . 0.0 112.765 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -30.19 69.17 Favored 'General case' 0 CA--C 1.59 2.494 0 O-C-N 121.558 -0.714 . . . . 0.0 110.816 176.805 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.63 -43.88 98.03 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 120.919 1.691 . . . . 0.0 110.732 173.446 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.324 11.8 ptpt -67.64 -32.96 74.01 Favored 'General case' 0 CA--C 1.584 2.25 0 CA-C-N 121.696 2.043 . . . . 0.0 110.403 175.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 64.4 mmt-85 -56.28 -53.56 55.74 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-N 120.953 1.706 . . . . 0.0 109.812 171.668 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.422 HG12 ' HG ' ' A' ' 133' ' ' LEU 0.319 0.7 OUTLIER -65.71 -32.23 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 CA-C-N 119.207 0.912 . . . . 0.0 111.772 179.052 . . . . . . . . 4 4 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.34 -42.62 66.94 Favored 'General case' 0 CA--C 1.574 1.889 0 O-C-N 120.33 -1.481 . . . . 0.0 111.556 173.616 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -64.81 -46.5 81.77 Favored 'General case' 0 CA--C 1.589 2.471 0 CA-C-N 118.389 0.541 . . . . 0.0 111.053 171.807 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -74.56 -31.93 62.25 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 120.459 3.503 . . . . 0.0 120.459 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.422 ' HG ' HG12 ' A' ' 129' ' ' VAL . 15.5 mt -55.07 -70.39 0.11 Allowed 'General case' 0 N--CA 1.49 1.531 0 CA-C-N 121.047 1.749 . . . . 0.0 115.641 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -157.11 -49.13 0.01 OUTLIER Glycine 0 CA--C 1.546 2.029 0 CA-C-N 113.018 -1.901 . . . . 0.0 114.866 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.71 143.02 26.17 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 120.024 1.912 . . . . 0.0 110.014 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -81.55 113.31 19.49 Favored 'General case' 0 CA--C 1.562 1.426 0 O-C-N 120.407 -1.433 . . . . 0.0 110.576 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.25 10.9 tp -86.12 -113.52 0.04 OUTLIER 'General case' 0 CA--C 1.57 1.716 0 CA-C-O 117.493 -1.241 . . . . 0.0 108.948 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.7 t -152.34 158.14 42.31 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 122.789 2.54 . . . . 0.0 110.47 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -40.94 -49.41 3.25 Favored 'General case' 0 CA--C 1.567 1.631 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.0 -42.91 97.03 Favored 'General case' 0 CA--C 1.575 1.914 0 C-N-CA 125.67 1.588 . . . . 0.0 112.481 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.19 -54.34 48.05 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 123.84 0.856 . . . . 0.0 110.414 174.786 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.2 mt -56.48 -35.38 67.9 Favored 'General case' 0 CA--C 1.571 1.788 0 O-C-N 121.046 -1.034 . . . . 0.0 112.684 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -70.52 -36.71 73.91 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.319 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -62.83 -39.6 94.83 Favored 'General case' 0 CA--C 1.586 2.345 0 CA-C-N 120.391 1.45 . . . . 0.0 109.722 173.472 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -36.62 83.87 Favored 'General case' 0 CA--C 1.589 2.468 0 CA-C-N 119.216 0.916 . . . . 0.0 111.306 173.147 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.69 -54.2 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 119.86 -1.775 . . . . 0.0 109.812 173.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -55.15 -40.13 70.28 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -67.19 -39.1 86.33 Favored 'General case' 0 CA--C 1.593 2.612 0 CA-C-N 119.965 1.257 . . . . 0.0 112.201 172.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.41 -41.63 47.08 Favored 'General case' 0 CA--C 1.579 2.087 0 N-CA-C 119.662 3.208 . . . . 0.0 119.662 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -73.09 54.04 0.38 Allowed 'General case' 0 CA--C 1.584 2.286 0 C-N-CA 127.107 2.163 . . . . 0.0 115.823 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.286 0.1 OUTLIER -52.59 -27.53 17.25 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 119.433 3.124 . . . . 0.0 119.433 -178.46 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -79.76 -40.73 28.1 Favored 'General case' 0 CA--C 1.587 2.377 0 CA-C-O 117.69 -1.148 . . . . 0.0 109.636 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 115.54 136.0 5.89 Favored Glycine 0 CA--C 1.559 2.788 0 N-CA-C 118.673 2.229 . . . . 0.0 118.673 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . 0.266 17.1 t70 126.19 -62.22 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.532 0 C-N-CA 127.82 2.448 . . . . 0.0 109.721 177.222 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 154.7 39.6 0.02 OUTLIER Glycine 0 N--CA 1.488 2.157 0 N-CA-C 118.814 2.285 . . . . 0.0 118.814 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -153.63 138.6 17.23 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 123.134 1.445 . . . . 0.0 109.722 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.79 123.39 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.847 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 70.1 m -99.9 171.58 7.77 Favored 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 121.64 0.733 . . . . 0.0 112.548 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.46 -49.99 66.25 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 179.094 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.478 ' HA ' HD11 ' A' ' 163' ' ' LEU . 7.1 pt20 -60.04 -34.74 73.8 Favored 'General case' 0 CA--C 1.576 1.96 0 CA-C-N 120.441 1.473 . . . . 0.0 114.282 176.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.4 -22.22 44.6 Favored 'General case' 0 N--CA 1.503 2.212 0 CA-C-N 120.275 1.398 . . . . 0.0 112.073 175.251 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -65.13 -56.71 11.39 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 125.98 1.712 . . . . 0.0 110.327 175.319 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 160' ' ' GLN . 0.3 OUTLIER -80.06 -52.01 8.33 Favored 'General case' 0 CA--C 1.577 2.011 0 CA-C-O 118.238 -0.887 . . . . 0.0 112.195 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -80.1 -33.61 38.64 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 118.123 2.638 . . . . 0.0 118.123 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.262 5.6 tp . . . . . 0 N--CA 1.517 2.898 0 N-CA-C 118.821 2.897 . . . . 0.0 118.821 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.512 2.637 0 N-CA-C 119.748 3.24 . . . . 0.0 119.748 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.63 -37.84 42.67 Favored Glycine 0 N--CA 1.499 2.881 0 C-N-CA 125.19 1.376 . . . . 0.0 114.407 176.126 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -53.84 -58.32 7.68 Favored 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 126.154 1.782 . . . . 0.0 111.193 172.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -57.76 -43.67 85.6 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 120.816 1.644 . . . . 0.0 111.171 175.275 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.1 tp -60.33 -50.8 72.2 Favored 'General case' 0 CA--C 1.565 1.541 0 O-C-N 121.128 -0.982 . . . . 0.0 111.796 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.8 m . . . . . 0 N--CA 1.495 1.81 0 CA-C-N 119.207 0.912 . . . . 0.0 112.725 176.265 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.51 2.544 0 CA-C-O 117.754 -1.117 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 69.93 -63.81 0.38 Allowed 'General case' 0 N--CA 1.524 3.228 0 CA-C-N 123.222 2.737 . . . . 0.0 112.529 -176.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -67.45 -20.0 65.44 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-O 116.514 -1.708 . . . . 0.0 113.007 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -46.68 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 CA-C-N 123.395 2.816 . . . . 0.0 110.18 174.271 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -42.65 68.08 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.268 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -44.06 79.29 Favored 'General case' 0 CA--C 1.566 1.588 0 CA-C-O 116.936 -1.507 . . . . 0.0 111.705 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.94 78.96 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 122.104 2.229 . . . . 0.0 112.929 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.466 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 6.6 t80 -65.0 -41.71 95.15 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 121.309 1.868 . . . . 0.0 112.618 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -65.47 -38.24 89.19 Favored 'General case' 0 CA--C 1.576 1.975 0 CA-C-O 116.882 -1.532 . . . . 0.0 111.783 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.3 pp -72.83 -29.87 63.58 Favored 'General case' 0 CA--C 1.576 1.97 0 CA-C-N 122.177 2.262 . . . . 0.0 112.388 173.272 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.4 -42.72 70.78 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 124.992 1.317 . . . . 0.0 112.961 173.428 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -87.07 80.38 8.38 Favored 'General case' 0 CA--C 1.59 2.485 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.053 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -49.9 -17.46 0.38 Allowed 'General case' 0 CA--C 1.596 2.741 0 N-CA-C 117.484 2.402 . . . . 0.0 117.484 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -103.67 8.92 37.43 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-N 120.813 1.642 . . . . 0.0 112.622 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 69.34 -11.62 0.47 Allowed 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 119.338 3.088 . . . . 0.0 119.338 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.6 t -65.87 -18.37 65.29 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 116.504 2.039 . . . . 0.0 116.504 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 67.46 62.57 4.28 Favored Glycine 0 CA--C 1.541 1.661 0 N-CA-C 119.637 2.615 . . . . 0.0 119.637 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -147.78 109.9 4.55 Favored 'General case' 0 CA--C 1.566 1.577 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 177.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.5 mp -101.64 129.05 53.44 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.688 0 O-C-N 120.997 -1.065 . . . . 0.0 109.731 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.0 p -104.53 171.74 7.17 Favored 'General case' 0 CA--C 1.579 2.091 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.421 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -56.18 -36.95 68.94 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -62.47 -43.9 97.69 Favored 'General case' 0 CA--C 1.577 1.993 0 O-C-N 120.706 -1.246 . . . . 0.0 112.006 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -33.44 75.99 Favored 'General case' 0 CA--C 1.588 2.406 0 O-C-N 120.614 -1.304 . . . . 0.0 109.577 175.484 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.0 mt -55.75 -44.65 77.8 Favored 'General case' 0 N--CA 1.504 2.227 0 CA-C-N 120.863 1.665 . . . . 0.0 110.914 172.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -56.4 -48.69 76.4 Favored 'General case' 0 CA--C 1.572 1.812 0 C-N-CA 124.038 0.935 . . . . 0.0 111.498 175.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -46.17 89.33 Favored 'General case' 0 N--CA 1.505 2.316 0 CA-C-N 119.279 0.945 . . . . 0.0 112.764 176.706 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.717 ' O ' HD22 ' A' ' 133' ' ' LEU 0.279 1.9 t -69.72 -37.45 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 CA-C-O 117.008 -1.472 . . . . 0.0 110.304 179.336 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.439 ' CB ' HD13 ' A' ' 137' ' ' LEU . . . -49.78 -48.69 50.33 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-N 121.435 1.925 . . . . 0.0 113.004 174.323 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -27.97 66.55 Favored 'General case' 0 CA--C 1.593 2.602 0 CA-C-N 119.607 1.094 . . . . 0.0 112.221 172.672 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.57 -54.96 23.86 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.717 HD22 ' O ' ' A' ' 129' ' ' VAL 0.363 0.8 OUTLIER -44.19 -52.48 7.33 Favored 'General case' 0 CA--C 1.569 1.708 0 N-CA-C 117.198 2.295 . . . . 0.0 117.198 176.088 . . . . . . . . 4 4 . 1 . 011 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 137.42 -47.64 0.94 Allowed Glycine 0 N--CA 1.491 2.319 0 CA-C-N 114.532 -1.213 . . . . 0.0 112.915 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -83.15 138.45 33.65 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -89.26 171.53 9.72 Favored 'General case' 0 CA--C 1.575 1.914 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -176.147 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.654 HD12 HD11 ' A' ' 142' ' ' LEU 0.289 0.3 OUTLIER -108.07 -172.79 2.13 Favored 'General case' 0 CA--C 1.559 1.311 1 N-CA-C 121.82 4.008 . . . . 0.0 121.82 -173.776 . . . . . . . . 5 4 . 1 . 011 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 9.2 t -156.23 138.87 15.07 Favored 'General case' 0 CA--C 1.562 1.427 0 N-CA-C 105.468 -2.049 . . . . 0.0 105.468 170.695 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -43.65 -43.05 5.58 Favored 'General case' 0 CA--C 1.574 1.885 0 N-CA-C 117.743 2.497 . . . . 0.0 117.743 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -61.44 -50.92 70.85 Favored 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 127.414 2.286 . . . . 0.0 112.58 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -47.0 84.29 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 120.678 1.581 . . . . 0.0 110.706 176.234 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.654 HD11 HD12 ' A' ' 137' ' ' LEU . 5.4 mt -57.36 -44.21 84.15 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-N 121.215 1.825 . . . . 0.0 114.234 177.469 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.262 0.1 OUTLIER -70.17 -35.14 73.79 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 120.257 1.39 . . . . 0.0 112.285 178.582 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.93 -40.48 95.64 Favored 'General case' 0 CA--C 1.585 2.315 0 CA-C-N 120.746 1.612 . . . . 0.0 110.465 173.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.3 mmt -61.35 -41.78 97.62 Favored 'General case' 0 CA--C 1.576 1.963 0 C-N-CA 123.845 0.858 . . . . 0.0 110.834 174.191 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 10.0 mm -59.2 -56.33 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-O 116.876 -1.535 . . . . 0.0 110.607 175.293 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -56.9 -42.29 79.64 Favored 'General case' 0 N--CA 1.505 2.289 0 CA-C-N 120.988 1.722 . . . . 0.0 113.125 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -66.87 -31.82 72.68 Favored 'General case' 0 CA--C 1.597 2.777 0 CA-C-N 120.719 1.6 . . . . 0.0 113.691 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.03 -44.53 19.97 Favored 'General case' 0 CA--C 1.579 2.083 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.289 25.3 t0 -79.81 67.33 5.56 Favored 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 127.719 2.408 . . . . 0.0 109.986 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.28 0.0 OUTLIER -64.61 -26.32 68.35 Favored 'General case' 0 CA--C 1.563 1.444 0 O-C-N 117.61 -3.181 . . . . 0.0 119.21 -173.57 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.89 -24.75 60.89 Favored 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 120.312 1.415 . . . . 0.0 111.905 171.972 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 88.83 36.65 7.69 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 119.361 2.504 . . . . 0.0 119.361 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -103.47 3.54 35.03 Favored 'General case' 0 CA--C 1.584 2.286 0 CA-C-N 119.07 1.435 . . . . 0.0 114.485 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 92.21 9.71 61.7 Favored Glycine 0 CA--C 1.554 2.476 0 CA-C-N 121.304 1.866 . . . . 0.0 117.095 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -158.09 152.32 24.36 Favored 'General case' 0 CA--C 1.575 1.913 0 CA-C-N 120.054 1.927 . . . . 0.0 112.014 -177.342 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 7.2 t -99.73 123.6 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.509 0 O-C-N 119.835 -1.791 . . . . 0.0 107.932 -174.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.84 173.94 6.44 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-O 123.055 1.407 . . . . 0.0 113.026 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.42 -50.0 53.13 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 116.21 -1.852 . . . . 0.0 115.943 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.447 ' HA ' ' CD2' ' A' ' 163' ' ' LEU . 0.0 OUTLIER -63.31 -33.96 76.65 Favored 'General case' 0 CA--C 1.576 1.969 0 CA-C-N 122.79 2.541 . . . . 0.0 113.791 177.09 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -27.17 60.3 Favored 'General case' 0 CA--C 1.584 2.25 0 CA-C-N 121.282 1.855 . . . . 0.0 112.055 173.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -61.81 -59.88 4.49 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 126.5 1.92 . . . . 0.0 111.578 175.122 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -80.08 -57.41 3.64 Favored 'General case' 0 CA--C 1.573 1.838 0 CA-C-O 118.093 -0.956 . . . . 0.0 113.083 179.245 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -80.2 -60.12 2.45 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 119.555 3.169 . . . . 0.0 119.555 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.275 0.2 OUTLIER . . . . . 0 CA--C 1.579 2.076 1 C-N-CA 132.694 4.398 . . . . 0.0 106.588 -176.522 . . . . . . . . 3 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 115.748 1.758 . . . . 0.0 115.748 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -59.79 -50.6 65.99 Favored Glycine 0 N--CA 1.496 2.667 0 CA-C-N 121.706 2.048 . . . . 0.0 115.522 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.78 -52.57 56.19 Favored 'General case' 0 CA--C 1.577 2.007 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.37 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -54.77 -38.1 66.81 Favored 'General case' 0 N--CA 1.505 2.322 0 C-N-CA 124.082 0.953 . . . . 0.0 112.031 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.67 -52.07 65.83 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.372 1.069 . . . . 0.0 110.973 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.501 2.108 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 177.178 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.511 2.596 0 CA-C-O 117.421 -1.276 . . . . 0.0 114.113 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 68.6 -47.99 0.56 Allowed 'General case' 0 N--CA 1.533 3.713 0 CA-C-N 123.598 2.908 . . . . 0.0 111.278 -172.63 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -59.07 -25.76 64.04 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 127.344 2.258 . . . . 0.0 113.422 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -42.57 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.681 0 CA-C-N 122.309 2.322 . . . . 0.0 110.107 171.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.479 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 22.9 mt -70.65 -42.19 71.15 Favored 'General case' 0 CA--C 1.566 1.57 0 CA-C-O 118.939 -0.553 . . . . 0.0 112.415 178.541 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -65.48 -42.02 92.67 Favored 'General case' 0 CA--C 1.57 1.717 0 CA-C-N 119.955 1.252 . . . . 0.0 111.358 174.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.65 85.41 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 120.558 1.527 . . . . 0.0 113.663 177.378 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.483 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 0.4 OUTLIER -66.94 -44.58 80.24 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 119.7 1.136 . . . . 0.0 111.077 175.528 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -65.39 -34.55 78.57 Favored 'General case' 0 CA--C 1.575 1.922 0 CA-C-O 117.466 -1.254 . . . . 0.0 112.734 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 pp -71.83 -28.69 63.74 Favored 'General case' 0 CA--C 1.574 1.893 0 CA-C-N 122.0 2.182 . . . . 0.0 110.746 171.748 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -36.54 68.85 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 119.435 1.016 . . . . 0.0 112.065 171.38 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -70.8 54.42 0.16 Allowed 'General case' 0 CA--C 1.597 2.753 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -53.6 -21.83 7.42 Favored 'General case' 0 N--CA 1.516 2.862 0 O-C-N 118.365 -2.71 . . . . 0.0 115.226 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -94.42 -25.1 17.07 Favored 'General case' 0 CA--C 1.589 2.479 0 C-N-CA 124.776 1.23 . . . . 0.0 110.211 176.376 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 77.19 56.3 0.03 OUTLIER 'General case' 0 CA--C 1.58 2.134 0 CA-C-O 126.19 2.9 . . . . 0.0 112.603 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 68.3 p -105.51 -40.2 5.87 Favored 'General case' 0 CA--C 1.569 1.675 0 CA-C-N 111.313 -2.676 . . . . 0.0 108.64 177.462 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.82 33.78 12.22 Favored Glycine 0 N--CA 1.487 2.04 0 N-CA-C 118.091 1.996 . . . . 0.0 118.091 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.9 126.4 5.53 Favored 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.5 mp -99.93 124.53 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 CA-C-O 123.152 1.454 . . . . 0.0 107.392 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 58.3 p -99.97 165.52 11.5 Favored 'General case' 0 CA--C 1.583 2.249 0 CA-C-N 112.399 -2.182 . . . . 0.0 107.33 175.67 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -53.11 -37.97 62.2 Favored 'General case' 0 N--CA 1.512 2.647 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.11 -39.95 93.82 Favored 'General case' 0 CA--C 1.577 2.013 0 O-C-N 121.267 -0.896 . . . . 0.0 112.154 178.35 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.62 -36.1 82.72 Favored 'General case' 0 CA--C 1.583 2.241 0 CA-C-N 120.678 1.581 . . . . 0.0 109.433 175.148 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.63 -46.89 70.65 Favored 'General case' 0 N--CA 1.507 2.415 0 CA-C-N 120.184 1.357 . . . . 0.0 110.227 172.248 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -56.93 -46.44 82.03 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 124.608 1.163 . . . . 0.0 111.817 174.413 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.3 mtm105 -57.17 -52.29 65.91 Favored 'General case' 0 N--CA 1.506 2.348 0 CA-C-N 119.548 1.067 . . . . 0.0 111.678 176.009 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.4 HG12 HD12 ' A' ' 133' ' ' LEU . 48.8 t -62.78 -44.69 99.7 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.44 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.173 178.326 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.77 -45.26 86.2 Favored 'General case' 0 CA--C 1.576 1.949 0 CA-C-N 119.884 1.22 . . . . 0.0 113.225 174.763 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -64.86 -48.9 72.61 Favored 'General case' 0 CA--C 1.567 1.599 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 176.006 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.67 -34.35 73.84 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.4 HD12 HG12 ' A' ' 129' ' ' VAL . 23.2 mt -79.07 -56.74 4.15 Favored 'General case' 0 CA--C 1.574 1.889 0 C-N-CA 124.908 1.283 . . . . 0.0 113.484 176.729 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 140.18 -16.07 2.99 Favored Glycine 0 CA--C 1.562 2.969 0 C-N-CA 125.447 1.498 . . . . 0.0 114.454 -176.416 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -71.22 60.15 0.28 Allowed 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 125.889 1.675 . . . . 0.0 114.465 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -76.59 -41.7 45.27 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 119.198 -2.189 . . . . 0.0 116.673 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.27 0.0 OUTLIER 34.77 -107.23 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.512 0 CA-C-N 121.177 1.808 . . . . 0.0 112.365 -179.479 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.0 t -158.86 164.32 35.83 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 122.443 2.383 . . . . 0.0 108.31 174.719 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -42.27 -49.96 4.99 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-N 111.53 -2.577 . . . . 0.0 116.228 176.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -63.92 -39.38 94.03 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 125.723 1.609 . . . . 0.0 113.222 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -59.07 -54.23 49.38 Favored 'General case' 0 N--CA 1.507 2.387 0 CA-C-N 119.939 1.245 . . . . 0.0 109.936 174.411 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mt -59.72 -38.2 81.01 Favored 'General case' 0 CA--C 1.578 2.031 0 O-C-N 120.948 -1.095 . . . . 0.0 112.533 175.058 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -69.99 -39.14 76.08 Favored 'General case' 0 CA--C 1.562 1.433 0 CA-C-O 116.682 -1.628 . . . . 0.0 111.407 -178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.69 -33.6 76.01 Favored 'General case' 0 CA--C 1.581 2.138 0 CA-C-N 121.584 1.993 . . . . 0.0 109.921 173.361 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.3 mmt -59.75 -45.55 91.88 Favored 'General case' 0 CA--C 1.593 2.605 0 CA-C-N 121.203 1.819 . . . . 0.0 109.523 171.429 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 4.9 mm -58.23 -54.48 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 C-N-CA 124.398 1.079 . . . . 0.0 111.052 174.116 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -42.34 50.24 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -32.84 64.58 Favored 'General case' 0 CA--C 1.588 2.438 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.509 ' HB1' HG22 ' A' ' 157' ' ' VAL . . . -78.5 -42.49 29.46 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 118.79 2.885 . . . . 0.0 118.79 178.072 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.321 36.3 t0 -63.02 72.95 0.02 OUTLIER 'General case' 0 CA--C 1.591 2.551 0 C-N-CA 127.661 2.385 . . . . 0.0 112.987 -178.552 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -39.96 -50.09 2.5 Favored 'General case' 0 C--N 1.368 1.374 0 N-CA-C 121.506 3.891 . . . . 0.0 121.506 -175.793 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -102.68 4.84 38.6 Favored 'General case' 0 CA--C 1.581 2.163 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 83.39 31.22 28.34 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 122.308 3.683 . . . . 0.0 122.308 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -91.26 -20.71 21.62 Favored 'General case' 0 CA--C 1.581 2.156 0 CA-C-N 120.873 2.336 . . . . 0.0 115.662 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 112.63 9.91 18.04 Favored Glycine 0 CA--C 1.557 2.7 0 N-CA-C 116.879 1.512 . . . . 0.0 116.879 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -149.52 152.37 35.47 Favored 'General case' 0 CA--C 1.573 1.857 0 CA-C-O 123.9 1.809 . . . . 0.0 112.106 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.509 HG22 ' HB1' ' A' ' 149' ' ' ALA . 6.1 t -99.89 119.34 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.221 0 N-CA-C 104.501 -2.407 . . . . 0.0 104.501 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 58.1 m -99.92 170.95 8.16 Favored 'General case' 0 CA--C 1.566 1.573 0 CA-C-O 122.185 0.993 . . . . 0.0 112.99 -177.917 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.72 -45.07 77.99 Favored 'General case' 0 N--CA 1.507 2.379 0 CA-C-O 117.134 -1.412 . . . . 0.0 112.814 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -37.59 79.64 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 122.715 2.507 . . . . 0.0 114.586 175.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.282 3.3 tp10 -73.44 -32.79 64.58 Favored 'General case' 0 CA--C 1.587 2.403 0 CA-C-N 122.567 2.44 . . . . 0.0 110.863 174.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -57.86 -57.12 14.19 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.699 1.59 . . . . 0.0 112.292 176.46 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 163' ' ' LEU 0.258 1.7 pp -80.11 -43.09 22.31 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-O 117.669 -1.158 . . . . 0.0 113.699 178.351 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -80.1 -34.81 37.65 Favored 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.7 tp . . . . . 0 N--CA 1.518 2.968 0 N-CA-C 118.505 2.78 . . . . 0.0 118.505 -179.28 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . 0.272 34.5 m-85 . . . . . 0 N--CA 1.508 2.44 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -56.0 -46.62 84.07 Favored Glycine 0 N--CA 1.5 2.946 0 CA-C-N 122.09 2.223 . . . . 0.0 113.5 174.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.89 -56.36 23.26 Favored 'General case' 0 CA--C 1.577 1.999 0 C-N-CA 124.573 1.149 . . . . 0.0 111.509 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -49.38 -48.68 46.73 Favored 'General case' 0 CA--C 1.586 2.349 0 CA-C-N 119.587 1.085 . . . . 0.0 113.047 176.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 44.7 tp -62.6 -47.94 81.58 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.186 0.595 . . . . 0.0 111.885 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.634 176.369 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.273 0.0 OUTLIER . . . . . 0 N--CA 1.509 2.52 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 68.99 -50.75 0.59 Allowed 'General case' 0 N--CA 1.526 3.364 0 CA-C-N 122.299 2.318 . . . . 0.0 113.493 -177.285 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -62.34 -25.42 67.89 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 125.715 1.606 . . . . 0.0 113.269 176.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.1 tt -50.35 -47.48 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 CA-C-N 121.447 1.93 . . . . 0.0 111.968 174.449 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.438 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 14.8 mt -72.63 -37.73 67.96 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-N 114.321 -1.309 . . . . 0.0 112.22 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -68.86 -35.99 77.59 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-N 120.459 1.481 . . . . 0.0 111.095 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.72 -52.03 62.32 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 121.507 1.958 . . . . 0.0 112.513 177.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.485 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 2.3 t80 -65.47 -44.96 85.53 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 118.916 0.78 . . . . 0.0 111.838 176.966 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -65.59 -34.04 77.3 Favored 'General case' 0 CA--C 1.571 1.786 0 CA-C-O 117.198 -1.382 . . . . 0.0 112.31 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . 0.253 41.9 mt -73.42 -20.0 60.83 Favored 'General case' 0 CA--C 1.588 2.405 0 CA-C-N 122.306 2.321 . . . . 0.0 111.245 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -46.0 72.09 Favored 'General case' 0 CA--C 1.572 1.821 0 CA-C-N 121.493 1.951 . . . . 0.0 112.478 171.887 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -86.87 70.23 10.33 Favored 'General case' 0 CA--C 1.59 2.51 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.22 -18.12 0.54 Allowed 'General case' 0 N--CA 1.517 2.905 0 O-C-N 118.399 -2.688 . . . . 0.0 116.539 177.117 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -86.33 -4.71 59.22 Favored 'General case' 0 CA--C 1.584 2.277 0 CA-C-N 121.455 1.934 . . . . 0.0 112.951 176.394 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 81.03 -13.9 0.88 Allowed 'General case' 0 N--CA 1.516 2.831 0 N-CA-C 118.537 2.792 . . . . 0.0 118.537 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 35.2 p -57.81 -37.38 73.69 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 126.907 2.083 . . . . 0.0 113.909 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 72.17 56.26 6.45 Favored Glycine 0 N--CA 1.476 1.355 0 N-CA-C 117.399 1.72 . . . . 0.0 117.399 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -145.29 110.32 5.17 Favored 'General case' 0 CA--C 1.56 1.352 0 N-CA-C 106.047 -1.835 . . . . 0.0 106.047 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.92 122.62 52.01 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.3 p -99.96 168.0 10.14 Favored 'General case' 0 CA--C 1.577 1.99 0 CA-C-N 111.917 -2.402 . . . . 0.0 107.58 176.962 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -55.21 -36.16 65.65 Favored 'General case' 0 N--CA 1.506 2.363 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -64.26 -41.91 96.73 Favored 'General case' 0 CA--C 1.57 1.719 0 O-C-N 121.343 -0.848 . . . . 0.0 112.345 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -33.94 77.05 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-N 120.205 1.366 . . . . 0.0 109.574 174.527 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 83.9 mt -55.5 -49.26 73.03 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-N 120.062 1.301 . . . . 0.0 111.245 173.766 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -56.04 -52.78 63.02 Favored 'General case' 0 N--CA 1.499 1.993 0 C-N-CA 124.461 1.104 . . . . 0.0 110.851 175.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.4 mmt-85 -49.63 -52.95 27.04 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 123.372 0.669 . . . . 0.0 112.484 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.5 t -71.67 -39.1 68.81 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.516 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.98 -49.07 66.86 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 119.743 1.156 . . . . 0.0 112.85 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -27.42 51.15 Favored 'General case' 0 CA--C 1.578 2.049 0 CA-C-O 117.664 -1.16 . . . . 0.0 113.336 173.775 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -77.37 -34.61 54.98 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 117.772 2.508 . . . . 0.0 117.772 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 21.1 mt -70.55 -72.24 0.21 Allowed 'General case' 0 CA--C 1.564 1.519 0 CA-C-N 120.868 1.667 . . . . 0.0 113.42 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 177.14 -45.95 0.1 Allowed Glycine 0 N--CA 1.487 2.057 0 N-CA-C 116.304 1.282 . . . . 0.0 116.304 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -101.17 95.14 6.35 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 119.08 1.44 . . . . 0.0 109.386 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.24 117.59 23.63 Favored 'General case' 0 CA--C 1.562 1.43 0 O-C-N 121.448 -0.782 . . . . 0.0 111.548 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.88 -122.93 0.03 OUTLIER 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.499 ' O ' HD13 ' A' ' 142' ' ' LEU . 14.7 t -145.91 163.86 33.8 Favored 'General case' 0 CA--C 1.575 1.906 0 O-C-N 120.678 -1.264 . . . . 0.0 109.827 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . 0.262 0.5 OUTLIER -54.19 -43.11 70.45 Favored 'General case' 0 CA--C 1.602 2.976 0 CA-C-N 115.07 -0.968 . . . . 0.0 113.241 -176.842 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -63.9 -43.46 95.94 Favored 'General case' 0 CA--C 1.569 1.691 0 C-N-CA 128.054 2.542 . . . . 0.0 113.222 175.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -55.69 -52.59 63.35 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 120.877 1.671 . . . . 0.0 109.783 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 138' ' ' THR . 1.3 mp -57.57 -39.16 76.08 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 174.233 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.252 25.8 tp60 -71.28 -35.13 71.24 Favored 'General case' 0 CA--C 1.567 1.614 0 CA-C-N 119.746 1.157 . . . . 0.0 110.66 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -60.69 -40.78 93.43 Favored 'General case' 0 CA--C 1.583 2.248 0 CA-C-N 119.476 1.035 . . . . 0.0 109.424 173.143 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 52.4 mmm -60.64 -40.41 91.85 Favored 'General case' 0 CA--C 1.579 2.076 0 C-N-CA 124.199 1.0 . . . . 0.0 111.648 173.841 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.2 mm -65.05 -58.29 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 125.12 1.368 . . . . 0.0 111.804 175.277 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.46 -36.94 69.61 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.79 -42.37 70.41 Favored 'General case' 0 CA--C 1.591 2.519 0 CA-C-N 119.831 1.196 . . . . 0.0 112.656 172.812 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.599 ' HB1' HG22 ' A' ' 157' ' ' VAL . . . -77.95 9.65 3.45 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 120.116 3.376 . . . . 0.0 120.116 178.816 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.251 0.0 OUTLIER -97.77 21.24 10.74 Favored 'General case' 0 CA--C 1.593 2.621 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 -176.678 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -25.15 63.87 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 119.766 3.247 . . . . 0.0 119.766 -176.706 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -67.63 -23.93 65.41 Favored 'General case' 0 CA--C 1.598 2.809 0 CA-C-N 119.827 1.194 . . . . 0.0 111.068 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 96.36 49.88 1.95 Allowed Glycine 0 N--CA 1.488 2.155 0 N-CA-C 119.924 2.73 . . . . 0.0 119.924 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -135.84 -0.36 2.58 Favored 'General case' 0 CA--C 1.578 2.044 0 CA-C-O 116.905 -1.521 . . . . 0.0 113.759 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 71.31 13.09 73.4 Favored Glycine 0 N--CA 1.509 3.551 0 CA-C-N 123.506 2.866 . . . . 0.0 117.202 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -147.28 174.48 11.59 Favored 'General case' 0 CA--C 1.584 2.26 0 C-N-CA 127.737 2.415 . . . . 0.0 106.505 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.599 HG22 ' HB1' ' A' ' 149' ' ' ALA . 12.2 t -99.92 120.56 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.628 0 O-C-N 117.87 -3.019 . . . . 0.0 105.991 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.94 172.2 7.37 Favored 'General case' 0 CA--C 1.568 1.65 0 CA-C-O 123.613 1.673 . . . . 0.0 112.664 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.25 2.9 pm0 -55.24 -40.33 70.79 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -63.21 -36.74 84.65 Favored 'General case' 0 CA--C 1.583 2.217 0 CA-C-N 120.824 1.647 . . . . 0.0 112.017 175.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -76.75 -20.0 56.99 Favored 'General case' 0 N--CA 1.508 2.439 0 CA-C-N 120.88 1.673 . . . . 0.0 112.3 175.833 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 3.5 t80 -69.8 -54.17 14.88 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 125.74 1.616 . . . . 0.0 109.946 174.549 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -47.07 15.44 Favored 'General case' 0 CA--C 1.582 2.183 0 CA-C-O 118.118 -0.944 . . . . 0.0 112.878 176.849 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -80.07 -21.86 42.9 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 118.413 2.746 . . . . 0.0 118.413 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 3.2 tp . . . . . 0 N--CA 1.522 3.164 0 N-CA-C 118.375 2.732 . . . . 0.0 118.375 -178.698 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 . . . . . 0 N--CA 1.51 2.561 0 N-CA-C 118.75 2.87 . . . . 0.0 118.75 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.18 -49.68 49.16 Favored Glycine 0 N--CA 1.498 2.779 0 CA-C-N 120.781 1.628 . . . . 0.0 114.318 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -57.08 -49.57 75.46 Favored 'General case' 0 CA--C 1.573 1.864 0 C-N-CA 124.264 1.025 . . . . 0.0 113.755 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . 0.268 58.5 t80 -55.45 -45.88 76.82 Favored 'General case' 0 CA--C 1.586 2.365 0 C-N-CA 124.913 1.285 . . . . 0.0 111.979 176.116 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -53.89 50.5 Favored 'General case' 0 CA--C 1.562 1.44 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.906 174.658 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.502 2.143 0 CA-C-N 119.103 0.865 . . . . 0.0 112.788 177.173 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.6 pttm . . . . . 0 N--CA 1.512 2.643 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 69.99 -38.9 0.42 Allowed 'General case' 0 N--CA 1.524 3.261 0 O-C-N 119.364 -2.085 . . . . 0.0 111.994 -173.437 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -54.77 -35.6 63.98 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.013 2.125 . . . . 0.0 111.852 175.209 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.3 tt -56.91 -42.42 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.366 0 CA-C-N 121.446 1.93 . . . . 0.0 111.529 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.478 ' HA ' ' HE1' ' A' ' 162' ' ' PHE . 1.2 mp -71.54 -43.23 66.79 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 118.301 -0.857 . . . . 0.0 113.088 176.751 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -66.82 -40.48 88.05 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 120.361 1.437 . . . . 0.0 112.252 175.527 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.23 -49.54 71.54 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 121.145 1.793 . . . . 0.0 113.416 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.51 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 21.3 t80 -67.76 -44.39 77.61 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 120.001 1.273 . . . . 0.0 112.09 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -66.22 -38.19 87.34 Favored 'General case' 0 CA--C 1.579 2.081 0 CA-C-O 116.804 -1.57 . . . . 0.0 111.207 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.3 mt -74.25 -19.95 60.33 Favored 'General case' 0 CA--C 1.58 2.121 0 CA-C-N 122.765 2.529 . . . . 0.0 112.869 175.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -42.44 78.1 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 121.419 1.918 . . . . 0.0 111.53 172.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -85.83 78.79 9.46 Favored 'General case' 0 CA--C 1.592 2.58 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.75 -18.85 0.3 Allowed 'General case' 0 N--CA 1.516 2.835 0 CA-C-N 123.362 2.801 . . . . 0.0 116.909 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -90.14 -2.99 58.15 Favored 'General case' 0 CA--C 1.592 2.581 0 CA-C-N 121.175 1.807 . . . . 0.0 111.564 175.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 71.12 -5.98 1.42 Allowed 'General case' 0 CA--C 1.578 2.057 0 N-CA-C 117.499 2.407 . . . . 0.0 117.499 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.8 p -56.48 -42.93 79.11 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 125.562 1.545 . . . . 0.0 112.697 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 93.83 69.02 1.08 Allowed Glycine 0 CA--C 1.538 1.495 0 N-CA-C 116.941 1.536 . . . . 0.0 116.941 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.87 109.87 3.9 Favored 'General case' 0 CA--C 1.574 1.885 0 CA-C-N 117.86 0.83 . . . . 0.0 109.753 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.26 131.36 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.563 0 CA-C-N 120.806 1.639 . . . . 0.0 109.13 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 64.6 p -107.41 166.0 10.98 Favored 'General case' 0 CA--C 1.581 2.168 0 CA-C-N 113.231 -1.804 . . . . 0.0 107.481 173.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -48.33 -47.23 37.01 Favored 'General case' 0 N--CA 1.512 2.645 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -56.73 -38.12 71.92 Favored 'General case' 0 CA--C 1.579 2.079 0 CA-C-N 114.266 -1.334 . . . . 0.0 113.423 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.09 -37.34 81.1 Favored 'General case' 0 CA--C 1.59 2.501 0 CA-C-N 121.003 1.728 . . . . 0.0 108.882 174.758 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 mt -53.08 -45.72 68.31 Favored 'General case' 0 N--CA 1.518 2.943 0 CA-C-N 120.503 1.501 . . . . 0.0 110.803 172.099 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -56.8 -46.8 81.34 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.747 1.219 . . . . 0.0 111.649 174.087 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -58.25 6.19 Favored 'General case' 0 N--CA 1.505 2.308 0 CA-C-O 121.475 0.655 . . . . 0.0 112.426 175.795 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.6 t -65.4 -34.56 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.455 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.717 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.52 -30.45 70.64 Favored 'General case' 0 CA--C 1.578 2.057 0 CA-C-N 119.033 0.833 . . . . 0.0 112.636 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -43.02 35.55 Favored 'General case' 0 CA--C 1.57 1.723 0 CA-C-O 117.174 -1.393 . . . . 0.0 110.294 173.356 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -54.02 -45.96 71.68 Favored 'General case' 0 N--CA 1.506 2.339 0 CA-C-N 121.199 1.818 . . . . 0.0 113.453 174.411 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.347 5.4 mp -69.77 -65.7 0.68 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 127.193 2.197 . . . . 0.0 111.735 175.217 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.11 -32.29 2.01 Favored Glycine 0 CA--C 1.559 2.825 0 N-CA-C 114.72 0.648 . . . . 0.0 114.72 -176.453 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.41 68.1 0.75 Allowed 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 125.243 1.417 . . . . 0.0 110.53 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -144.79 -93.39 0.1 Allowed 'General case' 0 CA--C 1.567 1.609 0 O-C-N 120.709 -1.244 . . . . 0.0 111.815 -176.228 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 137' ' ' LEU . . . . . 0.403 ' CD2' HD23 ' A' ' 142' ' ' LEU 0.254 0.0 OUTLIER -144.69 -146.24 0.18 Allowed 'General case' 0 CA--C 1.582 2.209 0 CA-C-N 120.742 1.61 . . . . 0.0 112.572 -179.214 . . . . . . . . 4 4 . 1 . 014 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.0 t -137.1 171.44 14.5 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 119.972 -1.705 . . . . 0.0 112.222 -177.195 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -39.9 -54.41 2.17 Favored 'General case' 0 CA--C 1.566 1.571 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.34 -47.65 83.27 Favored 'General case' 0 CA--C 1.57 1.737 0 CA-C-N 113.544 -1.662 . . . . 0.0 112.07 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.58 -43.4 98.9 Favored 'General case' 0 CA--C 1.584 2.284 0 C-N-CA 123.706 0.803 . . . . 0.0 111.952 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.403 HD23 ' CD2' ' A' ' 137' ' ' LEU . 50.2 mt -56.08 -45.56 79.33 Favored 'General case' 0 CA--C 1.58 2.12 0 O-C-N 119.786 -1.821 . . . . 0.0 111.313 173.437 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -32.95 74.65 Favored 'General case' 0 CA--C 1.573 1.846 0 O-C-N 121.209 -0.932 . . . . 0.0 112.772 177.009 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.81 -44.04 97.66 Favored 'General case' 0 CA--C 1.582 2.196 0 CA-C-N 120.496 1.498 . . . . 0.0 110.173 174.067 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 20.1 ptp -64.55 -34.11 77.48 Favored 'General case' 0 CA--C 1.582 2.183 0 CA-C-N 119.878 1.217 . . . . 0.0 111.448 174.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 6.9 mm -60.29 -60.04 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 CA-C-N 120.582 1.537 . . . . 0.0 109.505 173.344 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.36 -35.3 62.63 Favored 'General case' 0 N--CA 1.506 2.337 0 CA-C-N 119.695 1.134 . . . . 0.0 113.537 -178.217 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -68.94 -40.33 79.04 Favored 'General case' 0 CA--C 1.6 2.871 0 CA-C-N 121.322 1.874 . . . . 0.0 111.788 172.242 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.28 -24.74 50.97 Favored 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 119.286 3.069 . . . . 0.0 119.286 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.83 27.41 0.02 OUTLIER 'General case' 0 CA--C 1.584 2.254 0 N-CA-C 120.799 3.629 . . . . 0.0 120.799 -176.495 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -33.6 57.28 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 118.365 2.728 . . . . 0.0 118.365 -176.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -71.3 -26.5 62.88 Favored 'General case' 0 CA--C 1.578 2.042 0 CA-C-O 116.415 -1.755 . . . . 0.0 113.357 175.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 149.58 138.0 2.86 Favored Glycine 0 CA--C 1.554 2.481 0 CA-C-N 123.241 2.746 . . . . 0.0 119.918 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.55 7.44 0.06 Allowed 'General case' 0 CA--C 1.579 2.076 1 N-CA-C 122.281 4.178 . . . . 0.0 122.281 173.59 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 104.56 41.87 1.95 Allowed Glycine 0 N--CA 1.496 2.669 0 CA-C-N 124.212 3.187 . . . . 0.0 118.038 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.26 145.39 20.51 Favored 'General case' 0 CA--C 1.572 1.82 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.3 t -99.82 121.22 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 C-N-CA 124.137 0.975 . . . . 0.0 109.914 -174.774 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.7 t -100.22 175.38 5.75 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-O 124.075 1.893 . . . . 0.0 112.109 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -50.05 59.86 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 115.584 -2.15 . . . . 0.0 115.369 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.505 ' HA ' HD11 ' A' ' 163' ' ' LEU . 3.4 pp0? -62.16 -32.28 72.87 Favored 'General case' 0 CA--C 1.573 1.852 0 CA-C-N 123.641 2.928 . . . . 0.0 114.543 178.449 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.431 ' H ' ' HG2' ' A' ' 161' ' ' GLU . 0.5 OUTLIER -75.15 -29.92 60.61 Favored 'General case' 0 CA--C 1.577 1.984 0 CA-C-N 120.616 1.553 . . . . 0.0 111.906 175.038 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.51 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.3 OUTLIER -62.79 -58.43 7.44 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 125.471 1.508 . . . . 0.0 112.787 176.13 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.505 HD11 ' HA ' ' A' ' 160' ' ' GLN . 0.4 OUTLIER -80.07 -33.31 39.03 Favored 'General case' 0 CA--C 1.574 1.897 0 N-CA-C 113.985 1.105 . . . . 0.0 113.985 -178.254 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -75.64 -19.91 58.87 Favored 'General case' 0 CA--C 1.576 1.953 0 CA-C-N 121.45 1.932 . . . . 0.0 116.046 177.576 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 N--CA 1.521 3.095 0 N-CA-C 118.196 2.665 . . . . 0.0 118.196 -179.709 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 117.331 -1.318 . . . . 0.0 114.119 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.12 -45.74 95.45 Favored Glycine 0 N--CA 1.491 2.362 0 CA-C-N 121.567 1.985 . . . . 0.0 115.43 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.5 -55.51 13.27 Favored 'General case' 0 CA--C 1.572 1.812 0 CA-C-O 117.092 -1.432 . . . . 0.0 111.193 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -47.51 -49.31 26.29 Favored 'General case' 0 N--CA 1.507 2.394 0 CA-C-N 120.399 1.454 . . . . 0.0 114.238 177.079 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.25 -47.85 75.31 Favored 'General case' 0 CA--C 1.563 1.443 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.703 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.502 2.141 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 175.607 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.259 0.0 OUTLIER . . . . . 0 N--CA 1.509 2.48 0 N-CA-C 115.89 1.811 . . . . 0.0 115.89 . . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 66.42 -48.66 0.44 Allowed 'General case' 0 N--CA 1.524 3.266 0 CA-C-N 122.326 2.33 . . . . 0.0 112.031 -172.398 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -35.06 6.15 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 128.587 2.755 . . . . 0.0 114.466 175.554 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.0 tt -60.48 -41.32 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 CA-C-N 120.497 1.498 . . . . 0.0 111.701 176.286 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.496 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 0.5 OUTLIER -71.78 -46.91 56.78 Favored 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -179.776 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -67.62 -41.26 84.22 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 117.487 -1.244 . . . . 0.0 112.534 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.16 -44.65 75.49 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 121.068 1.758 . . . . 0.0 113.167 178.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.522 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 6.3 t80 -67.15 -43.9 81.13 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.61 2.004 . . . . 0.0 112.836 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . 0.25 7.6 tptt -67.75 -32.42 73.02 Favored 'General case' 0 CA--C 1.58 2.12 0 CA-C-N 120.977 1.717 . . . . 0.0 111.826 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.3 mt -80.02 -19.94 46.55 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-N 122.401 2.364 . . . . 0.0 112.179 172.939 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -43.77 90.61 Favored 'General case' 0 CA--C 1.568 1.667 0 CA-C-N 121.642 2.019 . . . . 0.0 111.58 172.822 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -83.98 84.48 7.57 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-O 118.263 -0.875 . . . . 0.0 108.938 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -44.39 -15.67 0.02 OUTLIER 'General case' 0 CA--C 1.604 3.035 0 N-CA-C 117.782 2.512 . . . . 0.0 117.782 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -99.51 -11.26 21.22 Favored 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 120.619 1.554 . . . . 0.0 112.77 176.311 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 71.04 1.02 3.63 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 -177.375 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -69.78 -26.28 64.2 Favored 'General case' 0 CA--C 1.582 2.175 0 C-N-CA 125.566 1.546 . . . . 0.0 111.109 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 77.15 69.09 1.43 Allowed Glycine 0 C--N 1.359 1.813 0 N-CA-C 120.595 2.998 . . . . 0.0 120.595 175.445 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -149.5 109.87 4.19 Favored 'General case' 0 CA--C 1.568 1.64 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.16 128.11 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 CA-C-O 122.544 1.164 . . . . 0.0 108.711 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.9 p -102.45 170.81 7.83 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-N 112.991 -1.913 . . . . 0.0 107.724 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.444 ' HE1' HD22 ' A' ' 142' ' ' LEU . 4.7 t80 -56.06 -35.05 66.51 Favored 'General case' 0 N--CA 1.511 2.591 0 O-C-N 120.442 -1.411 . . . . 0.0 114.68 179.052 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -45.79 86.6 Favored 'General case' 0 CA--C 1.578 2.029 0 O-C-N 120.551 -1.343 . . . . 0.0 112.66 178.233 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -67.97 -31.91 71.96 Favored 'General case' 0 CA--C 1.576 1.98 0 O-C-N 121.062 -1.024 . . . . 0.0 111.471 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.5 mt -56.83 -48.33 78.28 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 120.708 1.595 . . . . 0.0 111.263 174.264 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.337 0.0 OUTLIER -70.6 -28.26 64.73 Favored 'General case' 0 CA--C 1.581 2.145 0 CA-C-O 116.647 -1.644 . . . . 0.0 111.034 177.218 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -57.4 -57.2 13.71 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 121.832 2.105 . . . . 0.0 108.506 172.086 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 133' ' ' LEU 0.337 0.1 OUTLIER -67.53 -41.89 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 CA-C-O 117.399 -1.286 . . . . 0.0 111.973 -178.92 . . . . . . . . 4 4 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -45.05 -46.78 11.64 Favored 'General case' 0 CA--C 1.576 1.976 0 CA-C-N 121.269 1.85 . . . . 0.0 112.567 174.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -66.34 -41.52 89.45 Favored 'General case' 0 CA--C 1.59 2.51 0 O-C-N 121.118 -0.989 . . . . 0.0 112.865 173.505 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -72.37 -60.08 2.41 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 121.376 3.843 . . . . 0.0 121.376 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.404 ' HB2' HG12 ' A' ' 129' ' ' VAL 0.488 20.6 tp -33.16 -51.14 0.32 Allowed 'General case' 0 CA--C 1.56 1.362 1 N-CA-C 122.353 4.205 . . . . 0.0 122.353 -177.836 . . . . . . . . 4 3 . 1 . 015 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 152.64 -23.14 0.83 Allowed Glycine 0 CA--C 1.548 2.118 0 CA-C-N 112.162 -2.29 . . . . 0.0 111.98 -176.562 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -151.37 136.23 17.27 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 120.763 2.281 . . . . 0.0 109.909 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -93.5 -42.94 8.97 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 117.811 2.523 . . . . 0.0 117.811 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.3 tp 66.54 -118.17 0.27 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 117.195 -1.384 . . . . 0.0 108.152 -176.187 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.473 ' O ' HD13 ' A' ' 142' ' ' LEU . 1.7 t -156.71 158.73 37.45 Favored 'General case' 0 CA--C 1.566 1.58 0 CA-C-O 126.036 2.827 . . . . 0.0 111.769 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -39.94 -50.26 2.49 Favored 'General case' 0 CA--C 1.577 1.994 0 CA-C-N 109.851 -3.34 . . . . 0.0 116.888 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.23 -41.33 97.06 Favored 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 125.945 1.698 . . . . 0.0 112.44 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -60.5 -47.5 85.86 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 123.836 0.854 . . . . 0.0 110.488 174.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 138' ' ' THR . 2.6 mp -55.68 -46.54 77.56 Favored 'General case' 0 CA--C 1.563 1.449 0 O-C-N 120.726 -1.234 . . . . 0.0 113.074 174.294 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.25 0.0 OUTLIER -66.57 -30.41 70.7 Favored 'General case' 0 CA--C 1.576 1.955 0 CA-C-O 118.101 -0.952 . . . . 0.0 113.13 177.512 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.02 -46.0 89.66 Favored 'General case' 0 CA--C 1.581 2.138 0 CA-C-N 120.527 1.512 . . . . 0.0 110.089 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -64.13 -33.54 76.01 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.745 -1.222 . . . . 0.0 111.775 175.003 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.7 mm -59.49 -55.03 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 CA-C-N 121.643 2.02 . . . . 0.0 109.848 172.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.02 -39.27 65.98 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 117.41 -1.281 . . . . 0.0 113.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -51.23 37.44 Favored 'General case' 0 CA--C 1.592 2.563 0 CA-C-N 121.177 1.808 . . . . 0.0 111.223 172.798 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.89 74.47 Favored 'General case' 0 CA--C 1.557 1.242 0 N-CA-C 120.485 3.513 . . . . 0.0 120.485 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.23 49.33 0.06 Allowed 'General case' 0 CA--C 1.59 2.499 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -50.54 -41.02 53.43 Favored 'General case' 0 CA--C 1.572 1.814 0 O-C-N 119.451 -2.031 . . . . 0.0 115.437 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -65.23 -38.83 91.61 Favored 'General case' 0 CA--C 1.584 2.262 0 C-N-CA 124.322 1.049 . . . . 0.0 113.203 174.537 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 101.18 41.02 2.69 Favored Glycine 0 CA--C 1.548 2.155 0 N-CA-C 121.853 3.501 . . . . 0.0 121.853 176.993 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -119.26 6.17 11.21 Favored 'General case' 0 CA--C 1.586 2.347 0 CA-C-N 119.124 1.462 . . . . 0.0 113.935 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 79.08 22.13 66.35 Favored Glycine 0 CA--C 1.571 3.591 0 O-C-N 119.205 -2.184 . . . . 0.0 113.342 -172.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -160.02 151.19 19.39 Favored 'General case' 0 CA--C 1.574 1.888 0 C-N-CA 126.016 1.726 . . . . 0.0 109.073 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 13.0 t -99.73 130.45 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.578 0 O-C-N 120.12 -1.613 . . . . 0.0 110.559 -173.743 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 54.0 p -99.77 171.35 7.94 Favored 'General case' 0 CA--C 1.57 1.74 0 CA-C-O 122.813 1.292 . . . . 0.0 112.193 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.314 20.6 pt-20 -58.93 -37.74 77.38 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.426 -1.421 . . . . 0.0 114.657 -178.395 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.443 ' HA ' HD22 ' A' ' 163' ' ' LEU . 2.5 pt20 -60.41 -36.58 78.47 Favored 'General case' 0 CA--C 1.584 2.271 0 CA-C-N 122.966 2.621 . . . . 0.0 112.531 173.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -32.31 71.0 Favored 'General case' 0 N--CA 1.513 2.717 0 CA-C-N 122.116 2.235 . . . . 0.0 109.655 175.282 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -62.14 -37.5 85.41 Favored 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 124.912 1.285 . . . . 0.0 112.941 172.212 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -79.94 -52.04 8.35 Favored 'General case' 0 CA--C 1.579 2.09 0 C-N-CA 126.267 1.827 . . . . 0.0 112.345 177.165 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -19.94 0.12 Allowed 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 118.487 2.773 . . . . 0.0 118.487 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.573 1.844 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 176.562 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.505 2.296 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.38 -43.14 34.69 Favored Glycine 0 N--CA 1.499 2.841 0 N-CA-C 116.815 1.486 . . . . 0.0 116.815 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.87 -51.35 67.35 Favored 'General case' 0 CA--C 1.576 1.952 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.948 176.05 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.31 -38.94 69.33 Favored 'General case' 0 CA--C 1.59 2.499 0 C-N-CA 124.205 1.002 . . . . 0.0 111.664 175.198 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.84 -53.26 53.46 Favored 'General case' 0 CA--C 1.563 1.46 0 O-C-N 120.522 -1.361 . . . . 0.0 109.992 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.499 2.003 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 176.585 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.513 2.675 0 CA-C-O 117.527 -1.225 . . . . 0.0 114.172 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 64.51 -46.2 0.31 Allowed 'General case' 0 N--CA 1.533 3.677 0 CA-C-N 123.413 2.824 . . . . 0.0 113.341 -173.62 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -70.71 -20.2 62.68 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 125.887 1.675 . . . . 0.0 113.654 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.28 -36.95 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 CA-C-N 120.15 1.341 . . . . 0.0 111.699 172.786 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.471 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 3.2 mp -68.25 -45.77 72.28 Favored 'General case' 0 CA--C 1.562 1.422 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -41.82 82.69 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 117.692 -1.146 . . . . 0.0 110.918 175.779 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.3 -46.25 89.58 Favored 'General case' 0 CA--C 1.562 1.407 0 CA-C-N 121.091 1.769 . . . . 0.0 113.832 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.428 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 0.5 OUTLIER -65.03 -49.02 71.79 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 121.109 1.777 . . . . 0.0 110.398 175.73 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -62.06 -36.6 82.12 Favored 'General case' 0 CA--C 1.579 2.079 0 CA-C-O 117.799 -1.096 . . . . 0.0 112.697 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.6 mt -76.74 -19.96 57.06 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-N 121.109 1.777 . . . . 0.0 111.812 173.534 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -40.17 96.41 Favored 'General case' 0 CA--C 1.581 2.153 0 CA-C-N 121.745 2.066 . . . . 0.0 110.115 170.499 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -73.92 72.95 1.62 Allowed 'General case' 0 CA--C 1.586 2.351 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.3 -11.72 0.55 Allowed 'General case' 0 CA--C 1.616 3.517 0 O-C-N 118.609 -2.557 . . . . 0.0 113.916 172.777 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -98.2 -9.55 25.49 Favored 'General case' 0 CA--C 1.585 2.312 0 C-N-CA 125.647 1.579 . . . . 0.0 111.963 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 74.98 -11.92 1.01 Allowed 'General case' 0 N--CA 1.507 2.388 0 CA-C-N 122.538 2.426 . . . . 0.0 114.794 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.0 t -57.58 -24.05 54.07 Favored 'General case' 0 CA--C 1.568 1.653 0 C-N-CA 125.866 1.667 . . . . 0.0 114.897 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.2 53.49 13.9 Favored Glycine 0 C--N 1.354 1.559 0 N-CA-C 119.196 2.438 . . . . 0.0 119.196 176.951 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.8 109.94 2.35 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 123.678 0.791 . . . . 0.0 109.362 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.7 mp -100.0 122.13 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.7 t -104.51 176.85 5.02 Favored 'General case' 0 CA--C 1.583 2.222 0 CA-C-O 124.402 2.049 . . . . 0.0 106.113 173.696 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.25 -48.9 35.04 Favored 'General case' 0 N--CA 1.507 2.407 0 N-CA-C 117.637 2.458 . . . . 0.0 117.637 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -58.2 -40.0 80.46 Favored 'General case' 0 CA--C 1.582 2.186 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.7 -30.11 66.59 Favored 'General case' 0 N--CA 1.512 2.644 0 CA-C-N 120.549 1.522 . . . . 0.0 109.294 174.085 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.94 -45.96 74.92 Favored 'General case' 0 N--CA 1.508 2.452 0 CA-C-N 121.692 2.042 . . . . 0.0 109.468 170.84 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -56.02 -48.76 75.36 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 125.48 1.512 . . . . 0.0 111.286 173.83 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -54.05 -48.85 70.12 Favored 'General case' 0 N--CA 1.502 2.133 0 CA-C-N 118.698 0.681 . . . . 0.0 112.723 175.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.52 -44.62 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.032 178.131 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.12 -38.81 40.79 Favored 'General case' 0 CA--C 1.58 2.118 0 CA-C-N 120.647 1.567 . . . . 0.0 113.269 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -71.8 -43.96 64.77 Favored 'General case' 0 CA--C 1.583 2.217 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.909 172.654 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -54.36 -56.62 16.72 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 125.15 1.38 . . . . 0.0 113.503 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.317 9.0 mp -51.63 -37.1 48.65 Favored 'General case' 0 CA--C 1.556 1.173 0 N-CA-C 117.762 2.504 . . . . 0.0 117.762 174.194 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.26 -39.89 2.64 Favored Glycine 0 CA--C 1.547 2.071 0 CA-C-N 112.91 -1.95 . . . . 0.0 113.647 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -86.85 84.56 7.33 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -81.64 115.52 20.94 Favored 'General case' 0 CA--C 1.558 1.279 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -176.309 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 mp -70.69 145.02 50.82 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 14.1 t -75.89 163.59 27.06 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.784 -1.198 . . . . 0.0 112.777 -177.014 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -43.21 -46.66 6.16 Favored 'General case' 0 CA--C 1.572 1.821 0 N-CA-C 118.087 2.625 . . . . 0.0 118.087 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.94 -49.08 74.0 Favored 'General case' 0 CA--C 1.574 1.883 0 CA-C-N 113.116 -1.856 . . . . 0.0 111.496 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -54.7 -51.41 65.65 Favored 'General case' 0 N--CA 1.505 2.281 0 C-N-CA 123.826 0.85 . . . . 0.0 112.879 176.225 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.72 -45.84 88.68 Favored 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 124.79 1.236 . . . . 0.0 113.204 177.242 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -34.67 77.16 Favored 'General case' 0 CA--C 1.572 1.82 0 CA-C-N 120.255 1.389 . . . . 0.0 112.523 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -60.44 -44.76 95.48 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 121.004 1.729 . . . . 0.0 109.753 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.83 -43.19 76.75 Favored 'General case' 0 CA--C 1.579 2.095 0 C-N-CA 124.947 1.299 . . . . 0.0 111.583 174.31 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.419 ' O ' ' HB3' ' A' ' 150' ' ' ASP . 9.7 mm -58.91 -60.01 2.97 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-O 115.877 -2.011 . . . . 0.0 109.884 175.277 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.4 -36.81 61.88 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 121.603 2.001 . . . . 0.0 114.158 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.52 -52.15 66.55 Favored 'General case' 0 N--CA 1.516 2.848 0 CA-C-O 121.92 0.866 . . . . 0.0 109.919 172.601 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.405 ' HB1' HG22 ' A' ' 157' ' ' VAL . . . -60.01 -48.52 81.37 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.565 173.231 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 146' ' ' ILE 0.261 0.0 OUTLIER -78.9 40.5 0.4 Allowed 'General case' 0 CA--C 1.585 2.304 0 C-N-CA 127.565 2.346 . . . . 0.0 114.505 179.439 . . . . . . . . 4 4 . 1 . 016 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -59.7 -33.24 71.35 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 117.518 -3.239 . . . . 0.0 116.664 -178.561 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -69.28 -27.07 65.09 Favored 'General case' 0 CA--C 1.59 2.485 0 C-N-CA 123.693 0.797 . . . . 0.0 112.799 175.06 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 102.24 63.53 0.73 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 121.67 3.428 . . . . 0.0 121.67 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -132.97 -4.34 3.14 Favored 'General case' 0 CA--C 1.592 2.568 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 176.459 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 73.14 16.0 78.61 Favored Glycine 0 N--CA 1.51 3.622 0 CA-C-N 123.287 2.767 . . . . 0.0 117.781 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.11 163.45 33.8 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 126.164 1.786 . . . . 0.0 109.964 -177.926 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.405 HG22 ' HB1' ' A' ' 149' ' ' ALA . 2.3 t -99.88 110.11 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 178.67 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.33 171.86 7.51 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-O 123.235 1.493 . . . . 0.0 110.677 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -47.52 45.21 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 115.251 -2.309 . . . . 0.0 115.741 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.466 ' HA ' ' CD2' ' A' ' 163' ' ' LEU 0.263 3.2 pp0? -63.25 -35.36 80.08 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-N 123.745 2.975 . . . . 0.0 113.791 178.081 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.92 -30.3 63.78 Favored 'General case' 0 N--CA 1.517 2.906 0 CA-C-N 123.067 2.667 . . . . 0.0 111.781 174.736 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.471 ' CE1' ' HA ' ' A' ' 107' ' ' LEU . 7.6 t80 -60.92 -55.95 26.89 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.664 1.585 . . . . 0.0 112.435 175.714 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -80.01 -41.66 25.38 Favored 'General case' 0 CA--C 1.575 1.93 0 CA-C-O 117.472 -1.251 . . . . 0.0 114.045 178.191 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -66.22 -19.9 65.96 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 122.478 2.399 . . . . 0.0 117.36 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.269 4.6 tp . . . . . 0 N--CA 1.508 2.434 0 C-N-CA 130.516 3.526 . . . . 0.0 117.628 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 . . . . . 0 N--CA 1.498 1.974 0 N-CA-C 116.126 1.898 . . . . 0.0 116.126 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.36 -43.63 99.11 Favored Glycine 0 N--CA 1.503 3.125 0 CA-C-N 121.052 1.751 . . . . 0.0 114.887 175.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.22 -47.52 70.58 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.321 1.048 . . . . 0.0 111.604 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -41.2 78.78 Favored 'General case' 0 CA--C 1.585 2.301 0 C-N-CA 124.162 0.985 . . . . 0.0 110.629 175.766 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.439 ' HB2' ' HB2' ' A' ' 109' ' ' ALA . 2.1 tm? -57.83 -57.81 11.12 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 125.661 1.584 . . . . 0.0 112.052 175.12 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.507 2.407 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 178.495 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt . . . . . 0 N--CA 1.501 2.092 0 CA-C-O 116.63 -1.653 . . . . 0.0 115.03 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -46.26 -32.68 3.22 Favored 'General case' 0 CA--C 1.591 2.533 0 N-CA-C 117.471 2.397 . . . . 0.0 117.471 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -26.24 68.56 Favored 'General case' 0 CA--C 1.56 1.347 0 CA-C-O 115.974 -1.965 . . . . 0.0 114.291 175.774 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -41.04 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.731 0 CA-C-N 122.985 2.63 . . . . 0.0 111.087 173.565 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.518 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 3.6 mp -68.94 -44.04 73.86 Favored 'General case' 0 CA--C 1.561 1.404 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -64.64 -42.85 95.17 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-N 119.416 1.007 . . . . 0.0 111.356 174.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.439 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . . . -57.9 -51.46 69.51 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 177.862 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.489 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.3 t80 -67.13 -43.22 82.91 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-O 118.63 -0.7 . . . . 0.0 111.76 177.344 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -69.03 -31.12 69.68 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 117.333 -1.318 . . . . 0.0 113.384 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.8 -28.53 60.76 Favored 'General case' 0 CA--C 1.574 1.883 0 CA-C-N 122.437 2.381 . . . . 0.0 111.164 171.812 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.76 -37.55 73.86 Favored 'General case' 0 CA--C 1.56 1.35 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 174.027 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -84.17 51.18 2.01 Favored 'General case' 0 CA--C 1.6 2.897 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -43.69 -29.24 0.49 Allowed 'General case' 0 N--CA 1.512 2.642 0 N-CA-C 118.411 2.745 . . . . 0.0 118.411 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -86.73 -56.66 3.3 Favored 'General case' 0 CA--C 1.556 1.185 0 CA-C-O 116.486 -1.721 . . . . 0.0 112.428 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 165.56 -22.54 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.542 0 CA-C-N 121.162 1.801 . . . . 0.0 115.117 -174.95 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.7 t -84.3 69.81 10.52 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.148 1.779 . . . . 0.0 112.364 -177.359 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.75 52.66 0.15 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 119.845 2.698 . . . . 0.0 119.845 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -145.49 122.43 11.33 Favored 'General case' 0 CA--C 1.583 2.238 1 N-CA-C 99.175 -4.38 . . . . 0.0 99.175 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.4 mp -99.72 120.34 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.382 0 CA-C-N 123.836 3.016 . . . . 0.0 109.065 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.0 t -100.16 169.88 8.85 Favored 'General case' 0 CA--C 1.589 2.467 0 CA-C-N 111.591 -2.55 . . . . 0.0 105.651 173.855 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -52.08 -37.91 55.5 Favored 'General case' 0 N--CA 1.511 2.581 0 N-CA-C 117.05 2.241 . . . . 0.0 117.05 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -60.95 -39.4 89.34 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.918 -1.114 . . . . 0.0 113.202 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -37.07 83.46 Favored 'General case' 0 CA--C 1.585 2.309 0 O-C-N 121.596 -0.69 . . . . 0.0 109.729 175.13 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 93.6 mt -53.72 -44.5 69.93 Favored 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 119.884 1.22 . . . . 0.0 110.603 172.762 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -60.93 -44.75 96.77 Favored 'General case' 0 CA--C 1.572 1.808 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.915 174.283 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -50.9 -53.92 28.52 Favored 'General case' 0 N--CA 1.508 2.428 0 CA-C-N 119.682 1.128 . . . . 0.0 112.451 175.62 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 3.5 t -72.59 -32.42 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.55 73.43 Favored 'General case' 0 CA--C 1.57 1.744 0 C-N-CA 124.013 0.925 . . . . 0.0 110.939 175.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -68.37 -33.93 75.14 Favored 'General case' 0 CA--C 1.575 1.941 0 CA-C-N 119.844 1.202 . . . . 0.0 113.53 174.369 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.43 -46.47 80.24 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-N 120.395 1.452 . . . . 0.0 114.891 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.372 5.2 mp -71.05 -54.39 11.33 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.172 2.189 . . . . 0.0 114.104 177.339 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.65 -47.85 1.21 Allowed Glycine 0 N--CA 1.485 1.916 0 CA-C-O 118.913 -0.937 . . . . 0.0 112.209 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.56 83.82 5.42 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 178.09 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . 0.282 7.8 p30 -116.35 -134.61 0.34 Allowed 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.554 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.84 -125.41 0.16 Allowed 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 -177.585 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 7.0 t -154.14 163.34 40.27 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.385 -1.447 . . . . 0.0 108.585 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -39.95 -53.69 2.3 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 116.698 2.111 . . . . 0.0 116.698 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.49 -45.06 92.45 Favored 'General case' 0 CA--C 1.575 1.939 0 C-N-CA 125.45 1.5 . . . . 0.0 112.717 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -63.96 -46.73 83.33 Favored 'General case' 0 CA--C 1.583 2.241 0 C-N-CA 124.429 1.092 . . . . 0.0 111.046 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.9 mt -56.57 -37.41 70.55 Favored 'General case' 0 CA--C 1.579 2.072 0 CA-C-N 121.248 1.84 . . . . 0.0 110.891 172.757 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -70.12 -36.23 74.67 Favored 'General case' 0 CA--C 1.569 1.695 0 CA-C-O 117.649 -1.167 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.06 -38.85 90.33 Favored 'General case' 0 CA--C 1.586 2.356 0 CA-C-N 120.674 1.579 . . . . 0.0 109.941 173.236 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.9 mtt -61.07 -39.67 90.76 Favored 'General case' 0 CA--C 1.584 2.264 0 O-C-N 121.323 -0.861 . . . . 0.0 111.227 173.004 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 5.9 mm -62.16 -56.95 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.621 -1.299 . . . . 0.0 110.302 173.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.75 -39.62 62.34 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -71.58 -39.98 70.23 Favored 'General case' 0 CA--C 1.592 2.587 0 CA-C-N 119.557 1.071 . . . . 0.0 113.397 173.607 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.483 ' HB1' HG22 ' A' ' 157' ' ' VAL . . . -79.12 -29.99 43.5 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 120.45 3.5 . . . . 0.0 120.45 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.23 61.86 0.03 OUTLIER 'General case' 0 CA--C 1.588 2.422 0 N-CA-C 118.965 2.95 . . . . 0.0 118.965 -176.278 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -52.75 -38.11 60.42 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 118.736 -2.477 . . . . 0.0 114.33 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -32.31 73.15 Favored 'General case' 0 CA--C 1.579 2.093 0 CA-C-O 118.083 -0.96 . . . . 0.0 113.208 176.09 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 93.9 112.78 2.33 Favored Glycine 0 CA--C 1.553 2.421 0 N-CA-C 117.515 1.766 . . . . 0.0 117.515 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . 0.265 15.3 t70 123.07 -57.13 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.38 0 C-N-CA 127.573 2.349 . . . . 0.0 108.567 178.502 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 175.34 48.89 0.06 OUTLIER Glycine 0 N--CA 1.482 1.705 0 N-CA-C 120.139 2.816 . . . . 0.0 120.139 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.0 145.46 15.3 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 121.31 2.555 . . . . 0.0 114.107 178.055 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.483 HG22 ' HB1' ' A' ' 149' ' ' ALA . 20.2 t -99.87 123.55 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.6 m -100.83 176.41 5.3 Favored 'General case' 0 CA--C 1.573 1.836 0 CA-C-O 124.718 2.199 . . . . 0.0 113.589 -177.742 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.275 81.3 tt0 -52.81 -50.08 64.39 Favored 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 112.541 -2.118 . . . . 0.0 115.322 -178.771 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.443 ' HA ' HD22 ' A' ' 163' ' ' LEU . 3.4 mp0 -65.5 -31.46 72.55 Favored 'General case' 0 CA--C 1.585 2.298 0 CA-C-N 122.521 2.418 . . . . 0.0 110.965 175.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -67.33 -28.94 68.39 Favored 'General case' 0 N--CA 1.519 2.98 0 CA-C-N 122.893 2.588 . . . . 0.0 112.868 176.662 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.518 ' CE1' ' HA ' ' A' ' 107' ' ' LEU 0.276 5.3 t80 -68.96 -40.81 78.69 Favored 'General case' 0 CA--C 1.583 2.228 0 C-N-CA 127.652 2.381 . . . . 0.0 111.768 171.855 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -77.38 -32.75 55.14 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 126.968 2.107 . . . . 0.0 113.632 177.284 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -46.91 -19.95 0.12 Allowed 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 116.605 2.076 . . . . 0.0 116.605 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.1 tp . . . . . 0 CA--C 1.592 2.558 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 175.674 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 CA--C 1.582 2.178 0 CA-C-O 116.773 -1.584 . . . . 0.0 114.433 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.05 -42.82 94.39 Favored Glycine 0 N--CA 1.498 2.795 0 CA-C-N 123.447 2.84 . . . . 0.0 114.183 176.647 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -64.33 -41.96 96.52 Favored 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 124.247 1.019 . . . . 0.0 110.909 176.088 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -58.23 -49.62 76.45 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 120.459 1.481 . . . . 0.0 108.296 173.328 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.5 tt -50.4 -56.39 11.63 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 124.467 1.107 . . . . 0.0 113.829 176.242 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.4 m . . . . . 0 N--CA 1.502 2.152 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 176.031 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER . . . . . 0 N--CA 1.513 2.678 0 CA-C-O 118.136 -0.935 . . . . 0.0 108.772 . . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 72.87 -55.62 0.68 Allowed 'General case' 0 N--CA 1.531 3.589 0 CA-C-N 123.979 3.082 . . . . 0.0 110.503 -174.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.94 -36.5 12.57 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 128.021 2.528 . . . . 0.0 114.583 176.151 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 58.2 mt -63.9 -53.6 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 CA-C-N 121.926 2.148 . . . . 0.0 109.089 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . 0.263 0.2 OUTLIER -69.64 -40.53 76.46 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 179.653 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -69.03 -45.87 69.39 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-O 116.973 -1.489 . . . . 0.0 112.619 175.808 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.24 -46.0 68.4 Favored 'General case' 0 C--N 1.365 1.256 0 CA-C-N 121.867 2.121 . . . . 0.0 111.519 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.463 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 13.7 t80 -64.02 -43.9 94.18 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 122.543 2.429 . . . . 0.0 112.966 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -66.52 -36.68 83.29 Favored 'General case' 0 CA--C 1.586 2.361 0 CA-C-N 120.743 1.611 . . . . 0.0 111.414 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.9 mt -78.8 -19.92 50.99 Favored 'General case' 0 CA--C 1.586 2.343 0 CA-C-N 122.536 2.425 . . . . 0.0 113.268 174.642 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -40.29 88.11 Favored 'General case' 0 CA--C 1.568 1.665 0 C-N-CA 126.026 1.73 . . . . 0.0 110.128 171.876 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -79.21 80.39 5.57 Favored 'General case' 0 CA--C 1.594 2.65 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -19.51 0.04 OUTLIER 'General case' 0 N--CA 1.513 2.68 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 175.118 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -92.77 -1.79 56.51 Favored 'General case' 0 CA--C 1.591 2.523 0 CA-C-N 120.8 1.637 . . . . 0.0 112.441 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 70.5 -5.1 1.46 Allowed 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.9 p -65.66 -51.29 60.68 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 125.825 1.65 . . . . 0.0 110.366 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.15 73.07 1.01 Allowed Glycine 0 CA--C 1.536 1.388 0 N-CA-C 115.231 0.853 . . . . 0.0 115.231 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -159.36 113.48 2.34 Favored 'General case' 0 CA--C 1.565 1.548 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 177.18 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.4 mp -99.79 124.89 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.401 0 CA-C-O 124.054 1.883 . . . . 0.0 111.154 -176.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 82.3 p -106.11 169.17 8.66 Favored 'General case' 0 CA--C 1.578 2.025 0 CA-C-N 110.314 -3.13 . . . . 0.0 106.473 174.027 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -52.99 -33.49 51.7 Favored 'General case' 0 CA--C 1.583 2.238 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -44.47 93.39 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 177.351 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -42.87 97.75 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.67 175.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 78.8 mt -53.87 -46.29 71.27 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 119.529 1.059 . . . . 0.0 112.241 174.085 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -58.5 -50.79 72.48 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 117.44 -1.267 . . . . 0.0 113.043 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -60.02 -45.15 93.72 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-O 117.191 -1.385 . . . . 0.0 112.206 177.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -54.94 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-N 120.735 1.607 . . . . 0.0 110.312 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.8 -42.18 5.43 Favored 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 115.721 1.748 . . . . 0.0 115.721 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -22.21 42.5 Favored 'General case' 0 CA--C 1.594 2.643 0 CA-C-N 120.036 1.289 . . . . 0.0 113.05 172.235 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -75.46 -42.9 52.05 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 119.432 3.123 . . . . 0.0 119.432 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.28 -47.19 84.43 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 161.68 -42.5 0.39 Allowed Glycine 0 N--CA 1.487 2.053 0 N-CA-C 117.364 1.706 . . . . 0.0 117.364 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -123.13 122.21 37.88 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-N 119.383 1.591 . . . . 0.0 109.32 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -83.54 150.82 25.72 Favored 'General case' 0 CA--C 1.573 1.852 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.09 -130.79 0.3 Allowed 'General case' 0 CA--C 1.567 1.627 0 C-N-CA 125.692 1.597 . . . . 0.0 108.43 -178.7 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.479 ' O ' HD13 ' A' ' 142' ' ' LEU . 2.0 t -152.98 160.61 43.04 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 126.221 2.915 . . . . 0.0 111.581 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -43.21 -52.06 5.8 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-N 109.468 -3.514 . . . . 0.0 115.932 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -60.23 -42.32 94.97 Favored 'General case' 0 CA--C 1.569 1.673 0 C-N-CA 125.463 1.505 . . . . 0.0 113.643 178.682 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -59.27 -51.34 70.4 Favored 'General case' 0 CA--C 1.584 2.283 0 C-N-CA 123.95 0.9 . . . . 0.0 109.93 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 138' ' ' THR . 2.8 mp -57.56 -43.07 84.22 Favored 'General case' 0 CA--C 1.56 1.338 0 O-C-N 120.137 -1.602 . . . . 0.0 114.312 174.714 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.274 0.1 OUTLIER -67.45 -32.51 73.41 Favored 'General case' 0 CA--C 1.567 1.613 0 CA-C-N 119.997 1.271 . . . . 0.0 112.185 178.855 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.11 -42.13 98.92 Favored 'General case' 0 CA--C 1.587 2.371 0 CA-C-N 120.715 1.598 . . . . 0.0 109.903 173.072 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 38.6 mmt -59.66 -43.46 93.93 Favored 'General case' 0 CA--C 1.58 2.097 0 C-N-CA 123.592 0.757 . . . . 0.0 112.11 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 14.8 mm -59.81 -54.88 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 124.948 1.299 . . . . 0.0 111.319 175.316 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.76 -39.55 71.34 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 118.293 -0.86 . . . . 0.0 113.306 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -69.25 -38.27 78.36 Favored 'General case' 0 CA--C 1.597 2.785 0 CA-C-N 120.337 1.426 . . . . 0.0 113.561 173.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.452 ' HB1' HG22 ' A' ' 157' ' ' VAL . . . -74.7 -40.4 61.37 Favored 'General case' 0 CA--C 1.574 1.888 0 N-CA-C 118.906 2.928 . . . . 0.0 118.906 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.293 26.1 t70 -67.8 49.42 0.05 Allowed 'General case' 0 CA--C 1.594 2.651 0 C-N-CA 126.903 2.081 . . . . 0.0 115.743 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.293 3.4 tmm_? -39.78 -50.11 2.36 Favored 'General case' 0 N--CA 1.51 2.546 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -173.768 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -142.97 55.08 1.38 Allowed 'General case' 0 CA--C 1.578 2.051 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 173.123 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -114.25 -141.58 7.75 Favored Glycine 0 CA--C 1.563 3.054 0 CA-C-N 122.434 2.379 . . . . 0.0 114.214 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -129.44 42.53 3.28 Favored 'General case' 0 CA--C 1.599 2.846 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 76.95 31.0 54.95 Favored Glycine 1 CA--C 1.58 4.133 0 CA-C-N 124.11 3.141 . . . . 0.0 110.107 -169.94 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -160.05 154.66 24.06 Favored 'General case' 0 CA--C 1.579 2.085 0 C-N-CA 126.21 1.804 . . . . 0.0 111.488 -175.379 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.452 HG22 ' HB1' ' A' ' 149' ' ' ALA . 9.7 t -99.84 121.63 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.378 0 O-C-N 119.921 -1.737 . . . . 0.0 108.283 -176.235 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.4 p -99.85 172.48 7.22 Favored 'General case' 0 CA--C 1.575 1.907 0 CA-C-O 123.602 1.668 . . . . 0.0 111.984 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.9 -50.03 8.17 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 116.264 1.95 . . . . 0.0 116.264 178.378 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . 0.26 3.1 pt20 -61.17 -40.12 92.7 Favored 'General case' 0 CA--C 1.581 2.169 0 CA-C-N 122.06 2.209 . . . . 0.0 113.431 178.396 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.59 -30.56 67.27 Favored 'General case' 0 CA--C 1.586 2.355 0 CA-C-N 120.487 1.494 . . . . 0.0 111.71 173.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.463 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 1.6 t80 -64.84 -45.77 84.71 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 175.322 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.98 -47.62 14.67 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 117.318 -1.325 . . . . 0.0 112.123 -176.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -79.97 -60.21 2.43 Favored 'General case' 0 CA--C 1.566 1.573 0 CA-C-N 121.071 1.76 . . . . 0.0 113.152 177.529 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.3 tp . . . . . 0 CA--C 1.587 2.379 0 C-N-CA 130.992 3.717 . . . . 0.0 108.496 -177.126 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 117.86 -1.067 . . . . 0.0 113.528 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.1 -49.44 71.61 Favored Glycine 0 N--CA 1.489 2.189 0 CA-C-N 120.812 1.642 . . . . 0.0 114.091 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.44 -51.69 66.5 Favored 'General case' 0 CA--C 1.572 1.796 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.756 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -50.74 -45.76 58.85 Favored 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.931 1.242 . . . . 0.0 112.224 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.12 -56.58 20.34 Favored 'General case' 0 CA--C 1.565 1.539 0 C-N-CA 124.726 1.21 . . . . 0.0 110.454 174.233 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.5 2.063 0 C-N-CA 125.065 1.346 . . . . 0.0 113.755 176.47 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.256 0.0 OUTLIER . . . . . 0 N--CA 1.512 2.643 0 CA-C-O 118.09 -0.957 . . . . 0.0 112.63 . . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 69.31 -48.97 0.6 Allowed 'General case' 0 N--CA 1.533 3.717 0 CA-C-N 123.138 2.699 . . . . 0.0 113.586 -173.514 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -71.86 -19.97 61.88 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 127.505 2.322 . . . . 0.0 113.524 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' ILE . . . . . 0.464 HG21 HG21 ' A' ' 165' ' ' ILE . 0.3 OUTLIER -46.62 -42.27 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.936 0 CA-C-N 123.847 3.022 . . . . 0.0 112.463 175.728 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.505 ' HA ' ' HE1' ' A' ' 162' ' ' PHE . 1.3 mp -70.47 -43.5 69.68 Favored 'General case' 0 CA--C 1.564 1.512 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 177.698 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -68.95 -38.75 79.62 Favored 'General case' 0 CA--C 1.564 1.508 0 CA-C-O 117.817 -1.087 . . . . 0.0 112.273 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.02 -48.24 71.81 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-N 120.964 1.711 . . . . 0.0 112.415 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.509 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.7 t80 -66.65 -46.32 76.12 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 121.1 1.773 . . . . 0.0 111.357 176.857 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -32.23 73.79 Favored 'General case' 0 CA--C 1.578 2.044 0 CA-C-N 120.272 1.396 . . . . 0.0 112.305 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 46.9 mt -76.57 -19.91 57.38 Favored 'General case' 0 CA--C 1.59 2.512 0 CA-C-N 122.004 2.184 . . . . 0.0 111.387 172.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -46.65 74.77 Favored 'General case' 0 CA--C 1.568 1.66 0 CA-C-N 121.558 1.981 . . . . 0.0 112.01 172.659 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -80.39 71.98 7.23 Favored 'General case' 0 CA--C 1.585 2.303 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -48.67 -16.85 0.13 Allowed 'General case' 0 CA--C 1.598 2.818 0 N-CA-C 117.021 2.23 . . . . 0.0 117.021 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -95.22 3.7 54.33 Favored 'General case' 0 CA--C 1.59 2.493 0 CA-C-N 120.554 1.525 . . . . 0.0 112.072 176.771 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 69.36 -3.72 1.51 Allowed 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 118.905 2.928 . . . . 0.0 118.905 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.5 t -75.97 -26.86 57.19 Favored 'General case' 0 CA--C 1.567 1.604 0 O-C-N 120.452 -1.405 . . . . 0.0 113.934 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 75.15 67.33 1.75 Allowed Glycine 0 C--N 1.355 1.637 0 N-CA-C 118.663 2.225 . . . . 0.0 118.663 177.551 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.0 109.89 4.31 Favored 'General case' 0 CA--C 1.579 2.058 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -104.42 123.26 58.2 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.408 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 177.026 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.58 165.72 10.86 Favored 'General case' 0 CA--C 1.581 2.135 0 CA-C-N 112.366 -2.197 . . . . 0.0 107.222 175.556 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -44.89 -45.25 10.22 Favored 'General case' 0 N--CA 1.511 2.598 0 N-CA-C 119.091 2.997 . . . . 0.0 119.091 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -62.62 -44.8 95.39 Favored 'General case' 0 CA--C 1.579 2.085 0 CA-C-N 114.086 -1.415 . . . . 0.0 112.237 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.262 0.7 OUTLIER -67.21 -31.26 71.53 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 119.909 1.231 . . . . 0.0 108.755 174.901 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.1 mt -54.87 -44.67 74.24 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-N 122.363 2.347 . . . . 0.0 110.68 171.398 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -56.59 -50.55 71.62 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 124.514 1.126 . . . . 0.0 112.41 175.293 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -47.65 85.08 Favored 'General case' 0 N--CA 1.504 2.265 0 CA-C-O 117.304 -1.332 . . . . 0.0 111.975 177.335 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.2 t -66.96 -33.49 63.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 CA-C-N 119.988 1.267 . . . . 0.0 112.133 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.98 -50.53 72.4 Favored 'General case' 0 CA--C 1.569 1.682 0 CA-C-N 119.656 1.116 . . . . 0.0 111.426 175.123 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -77.34 -33.1 55.49 Favored 'General case' 0 CA--C 1.587 2.391 0 CA-C-N 120.197 1.362 . . . . 0.0 114.61 174.643 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -72.22 -22.3 61.28 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 117.346 2.35 . . . . 0.0 117.346 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.71 -72.38 0.23 Allowed 'General case' 0 CA--C 1.564 1.515 0 C-N-CA 124.775 1.23 . . . . 0.0 111.641 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -159.78 -48.33 0.01 OUTLIER Glycine 0 N--CA 1.487 2.073 0 CA-C-O 118.622 -1.099 . . . . 0.0 115.363 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.98 139.69 32.5 Favored 'General case' 0 CA--C 1.574 1.886 0 CA-C-N 119.375 1.587 . . . . 0.0 106.734 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -67.13 167.05 12.74 Favored 'General case' 0 CA--C 1.579 2.077 0 N-CA-C 119.417 3.117 . . . . 0.0 119.417 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 5.7 tp -136.96 131.93 33.68 Favored 'General case' 0 CA--C 1.575 1.934 0 N-CA-C 104.422 -2.436 . . . . 0.0 104.422 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.3 t -78.98 166.45 22.35 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 123.533 1.635 . . . . 0.0 114.359 -175.325 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -40.15 -52.15 2.59 Favored 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.65 -45.84 90.96 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 125.235 1.414 . . . . 0.0 112.212 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -56.24 -55.55 31.92 Favored 'General case' 0 N--CA 1.507 2.404 0 CA-C-O 122.341 1.067 . . . . 0.0 112.024 176.134 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 16.2 mt -58.17 -35.97 72.36 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 124.833 1.253 . . . . 0.0 112.984 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.261 3.5 tp-100 -72.43 -36.69 68.65 Favored 'General case' 0 CA--C 1.566 1.57 0 CA-C-N 120.441 1.473 . . . . 0.0 111.131 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.52 -41.34 94.19 Favored 'General case' 0 CA--C 1.587 2.396 0 CA-C-N 120.741 1.609 . . . . 0.0 110.116 172.892 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.3 mmt -60.28 -42.32 95.21 Favored 'General case' 0 CA--C 1.579 2.068 0 C-N-CA 123.34 0.656 . . . . 0.0 111.598 174.317 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 146' ' ' ILE . . . . . 0.402 ' O ' ' HB3' ' A' ' 150' ' ' ASP . 3.5 mm -58.39 -60.11 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-O 116.604 -1.665 . . . . 0.0 110.447 175.345 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -55.88 -41.72 74.88 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 116.933 -1.508 . . . . 0.0 113.186 -177.67 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -39.27 86.56 Favored 'General case' 0 N--CA 1.515 2.792 0 CA-C-N 122.736 2.516 . . . . 0.0 112.97 174.31 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.485 ' HB1' HG22 ' A' ' 157' ' ' VAL 0.261 . . -80.04 -26.48 39.72 Favored 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 120.268 3.433 . . . . 0.0 120.268 177.826 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 150' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 146' ' ' ILE . 0.0 OUTLIER -72.82 12.66 0.48 Allowed 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 121.644 3.942 . . . . 0.0 121.644 -175.833 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.278 0.3 OUTLIER -45.53 -44.22 12.51 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 121.308 3.818 . . . . 0.0 121.308 -172.702 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -116.12 50.83 1.0 Allowed 'General case' 0 CA--C 1.575 1.921 0 CA-C-N 119.494 1.043 . . . . 0.0 109.448 175.51 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -148.73 -144.39 3.95 Favored Glycine 0 CA--C 1.563 3.033 0 O-C-N 119.803 -1.811 . . . . 0.0 113.845 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -129.5 47.49 2.49 Favored 'General case' 0 CA--C 1.599 2.841 0 N-CA-C 104.16 -2.533 . . . . 0.0 104.16 -178.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 82.59 31.69 29.49 Favored Glycine 0 CA--C 1.571 3.551 0 CA-C-N 124.54 3.336 . . . . 0.0 113.071 -173.743 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -152.05 154.77 36.61 Favored 'General case' 0 CA--C 1.568 1.641 0 C-N-CA 126.455 1.902 . . . . 0.0 108.84 -178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.485 HG22 ' HB1' ' A' ' 149' ' ' ALA . 2.3 t -99.8 125.39 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.662 -1.273 . . . . 0.0 110.112 -175.141 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.409 ' H ' ' CG ' ' A' ' 161' ' ' GLU . 0.7 OUTLIER -100.02 170.4 8.52 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 125.289 1.436 . . . . 0.0 111.567 -179.649 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.287 0.0 OUTLIER -54.07 -46.71 72.06 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -178.608 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.441 ' HA ' HD22 ' A' ' 163' ' ' LEU . 3.1 pt20 -67.27 -33.25 74.92 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 119.516 -1.99 . . . . 0.0 112.288 176.43 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.409 ' CG ' ' H ' ' A' ' 158' ' ' SER 0.262 2.3 pt-20 -73.05 -23.25 60.55 Favored 'General case' 0 CA--C 1.604 3.041 0 CA-C-N 121.619 2.009 . . . . 0.0 110.411 172.693 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.509 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.2 OUTLIER -65.45 -41.86 92.98 Favored 'General case' 0 N--CA 1.508 2.458 0 C-N-CA 126.75 2.02 . . . . 0.0 111.427 170.945 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -77.02 -28.72 55.04 Favored 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 126.803 2.041 . . . . 0.0 112.616 176.154 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -21.16 1.33 Allowed 'General case' 0 N--CA 1.504 2.228 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.464 HG21 HG21 ' A' ' 106' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.575 1.926 0 C-N-CA 125.256 1.422 . . . . 0.0 114.126 175.648 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 116.396 -1.764 . . . . 0.0 115.159 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -53.95 -33.12 49.96 Favored Glycine 0 N--CA 1.498 2.772 0 CA-C-N 122.616 2.462 . . . . 0.0 116.603 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -70.0 -54.32 13.76 Favored 'General case' 0 CA--C 1.578 2.033 0 C-N-CA 123.859 0.863 . . . . 0.0 110.437 175.608 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -56.65 -43.73 80.62 Favored 'General case' 0 N--CA 1.512 2.64 0 CA-C-N 121.051 1.75 . . . . 0.0 111.179 174.171 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.63 -55.18 38.34 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 125.282 1.433 . . . . 0.0 113.043 175.153 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.506 2.334 0 CA-C-N 118.724 0.693 . . . . 0.0 112.273 178.073 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER . . . . . 0 N--CA 1.515 2.809 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 . . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 67.46 -47.87 0.5 Allowed 'General case' 0 N--CA 1.535 3.777 0 CA-C-N 123.201 2.728 . . . . 0.0 110.676 -171.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.38 -33.78 14.55 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 128.452 2.701 . . . . 0.0 115.053 175.064 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.42 -48.0 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 CA-C-N 123.114 2.688 . . . . 0.0 108.53 175.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 mp -70.89 -43.46 68.3 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -70.12 -40.5 74.83 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 116.782 -1.58 . . . . 0.0 113.537 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.1 -39.37 72.12 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 122.244 2.293 . . . . 0.0 112.342 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.458 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 5.8 t80 -69.85 -47.07 64.08 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 121.455 1.934 . . . . 0.0 111.963 177.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -65.24 -36.09 83.05 Favored 'General case' 0 CA--C 1.587 2.393 0 CA-C-N 120.587 1.54 . . . . 0.0 110.321 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.5 mt -75.28 -20.01 59.38 Favored 'General case' 0 CA--C 1.584 2.264 0 CA-C-N 122.244 2.293 . . . . 0.0 112.916 174.18 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.522 ' CE1' HG11 ' A' ' 129' ' ' VAL . 6.4 m-85 -64.46 -45.98 85.07 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 122.157 2.253 . . . . 0.0 110.102 171.123 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -78.43 86.01 4.5 Favored 'General case' 0 CA--C 1.592 2.569 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -47.57 -14.29 0.04 OUTLIER 'General case' 0 CA--C 1.599 2.844 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -105.1 -1.51 25.48 Favored 'General case' 0 CA--C 1.595 2.683 0 C-N-CA 125.36 1.464 . . . . 0.0 112.106 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 73.03 -2.07 2.84 Favored 'General case' 0 CA--C 1.584 2.258 0 N-CA-C 117.649 2.463 . . . . 0.0 117.649 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.4 p -57.39 -41.75 80.85 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 119.281 -2.137 . . . . 0.0 112.328 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 92.45 72.75 1.22 Allowed Glycine 0 CA--C 1.534 1.247 0 N-CA-C 116.8 1.48 . . . . 0.0 116.8 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.06 110.06 4.12 Favored 'General case' 0 CA--C 1.58 2.112 0 CA-C-O 118.57 -0.728 . . . . 0.0 111.742 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 121' ' ' ILE . . . . . 0.418 HD13 ' CE2' ' A' ' 110' ' ' PHE . 0.2 OUTLIER -111.23 128.06 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.355 0 CA-C-N 121.474 1.943 . . . . 0.0 109.015 178.136 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.6 p -108.95 172.24 6.96 Favored 'General case' 0 CA--C 1.584 2.255 0 CA-C-N 112.272 -2.24 . . . . 0.0 107.159 172.533 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.454 ' HE1' HD22 ' A' ' 142' ' ' LEU . 1.3 t80 -49.38 -43.51 44.27 Favored 'General case' 0 N--CA 1.516 2.874 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -50.08 56.48 Favored 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' ASN . . . . . 0.478 ' O ' HG12 ' A' ' 129' ' ' VAL . 0.9 OUTLIER -68.86 -34.11 74.91 Favored 'General case' 0 N--CA 1.503 2.207 0 CA-C-O 116.959 -1.495 . . . . 0.0 109.913 175.475 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 69.9 mt -58.02 -38.53 76.35 Favored 'General case' 0 N--CA 1.502 2.16 0 CA-C-N 122.629 2.468 . . . . 0.0 112.86 175.129 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.333 11.9 ptpt -74.42 -33.97 63.13 Favored 'General case' 0 CA--C 1.575 1.937 0 CA-C-O 114.652 -2.594 . . . . 0.0 109.628 175.099 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . 0.28 0.6 OUTLIER -60.72 -49.2 78.47 Favored 'General case' 0 N--CA 1.512 2.648 0 CA-C-N 124.785 3.448 . . . . 0.0 110.067 173.191 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.522 HG11 ' CE1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -56.21 -45.05 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 120.411 1.46 . . . . 0.0 113.111 178.242 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.94 -49.52 71.16 Favored 'General case' 0 CA--C 1.573 1.85 0 CA-C-O 118.387 -0.816 . . . . 0.0 112.648 176.398 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -20.98 44.07 Favored 'General case' 0 CA--C 1.584 2.272 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 174.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -79.96 -32.1 39.9 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.8 mt -75.25 -74.36 0.21 Allowed 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 124.868 1.267 . . . . 0.0 112.283 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -163.37 -44.98 0.02 OUTLIER Glycine 0 N--CA 1.488 2.13 0 CA-C-O 117.54 -1.7 . . . . 0.0 117.175 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -129.29 109.33 11.02 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 120.563 2.181 . . . . 0.0 112.312 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -78.76 122.62 26.25 Favored 'General case' 0 CA--C 1.566 1.559 0 O-C-N 120.943 -1.098 . . . . 0.0 110.747 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 49.5 mt -80.84 -111.61 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.561 ' O ' HD13 ' A' ' 142' ' ' LEU . 2.1 t -150.78 156.4 41.2 Favored 'General case' 0 CA--C 1.561 1.381 0 CA-C-O 126.986 3.279 . . . . 0.0 110.623 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -41.56 -48.6 4.0 Favored 'General case' 0 CA--C 1.572 1.814 0 CA-C-N 109.082 -3.69 . . . . 0.0 116.964 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -42.45 96.78 Favored 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 125.121 1.368 . . . . 0.0 113.224 178.579 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -57.34 -51.76 68.09 Favored 'General case' 0 CA--C 1.578 2.058 0 C-N-CA 124.819 1.248 . . . . 0.0 110.148 174.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 138' ' ' THR . 1.2 mp -60.47 -49.63 76.78 Favored 'General case' 0 CA--C 1.564 1.498 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 176.04 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.425 ' NE2' ' CD2' ' A' ' 123' ' ' PHE . 8.3 tp-100 -66.23 -33.61 76.14 Favored 'General case' 0 CA--C 1.577 2.016 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.899 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -64.75 -39.84 94.3 Favored 'General case' 0 CA--C 1.583 2.227 0 CA-C-N 120.545 1.521 . . . . 0.0 109.34 173.491 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 21.8 mmt -58.48 -39.54 80.26 Favored 'General case' 0 CA--C 1.578 2.057 0 CA-C-N 119.555 1.071 . . . . 0.0 110.699 173.165 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 16.7 mm -58.04 -53.5 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 124.631 1.172 . . . . 0.0 110.407 173.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -55.15 -37.66 67.25 Favored 'General case' 0 N--CA 1.503 2.219 0 CA-C-N 119.598 1.09 . . . . 0.0 113.226 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -65.02 -48.14 74.94 Favored 'General case' 0 N--CA 1.512 2.647 0 CA-C-O 122.866 1.317 . . . . 0.0 112.432 172.546 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.468 ' HB1' ' CG2' ' A' ' 157' ' ' VAL . . . -69.54 -32.1 70.71 Favored 'General case' 0 CA--C 1.574 1.895 0 N-CA-C 120.293 3.442 . . . . 0.0 120.293 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -78.56 62.8 3.22 Favored 'General case' 0 CA--C 1.594 2.668 0 C-N-CA 125.791 1.636 . . . . 0.0 112.022 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.55 -44.19 69.04 Favored 'General case' 0 CA--C 1.561 1.39 0 O-C-N 118.245 -2.784 . . . . 0.0 115.832 -178.195 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -66.49 -30.22 70.51 Favored 'General case' 0 CA--C 1.585 2.317 0 CA-C-N 119.923 1.238 . . . . 0.0 112.785 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 90.14 22.22 36.09 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 120.693 3.037 . . . . 0.0 120.693 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -90.33 -30.95 17.13 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 119.843 1.821 . . . . 0.0 112.717 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 148.18 -22.27 1.4 Allowed Glycine 0 CA--C 1.55 2.251 0 N-CA-C 118.288 2.075 . . . . 0.0 118.288 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.82 177.54 7.17 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-O 123.221 1.486 . . . . 0.0 110.962 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.468 ' CG2' ' HB1' ' A' ' 149' ' ' ALA . 4.6 t -101.55 121.21 52.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 35.8 m -99.97 170.93 8.17 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-O 122.05 0.928 . . . . 0.0 112.573 -178.594 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.274 9.3 pt-20 -59.75 -41.53 91.18 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -177.795 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -36.92 80.53 Favored 'General case' 0 CA--C 1.582 2.197 0 CA-C-N 121.454 1.933 . . . . 0.0 112.413 175.077 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -20.01 58.65 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.4 -1.437 . . . . 0.0 112.943 176.758 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.458 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.2 OUTLIER -71.63 -57.5 4.33 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.009 1.724 . . . . 0.0 110.578 174.791 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -60.03 2.49 Favored 'General case' 0 CA--C 1.572 1.794 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . 0.252 6.6 ptt-85 -80.19 -40.37 27.37 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 121.625 3.935 . . . . 0.0 121.625 -175.156 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.4 tp . . . . . 0 N--CA 1.523 3.221 0 CA-C-N 125.667 3.849 . . . . 0.0 118.388 -178.982 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 CA--C 1.599 2.852 1 N-CA-C 99.799 -4.148 . . . . 0.0 99.799 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -39.79 -38.37 1.11 Allowed Glycine 0 N--CA 1.512 3.736 0 CA-C-N 124.68 3.4 . . . . 0.0 118.435 -177.92 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -70.19 -52.62 21.96 Favored 'General case' 0 CA--C 1.58 2.114 0 CA-C-O 117.077 -1.439 . . . . 0.0 108.616 171.972 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.01 -40.6 76.96 Favored 'General case' 0 CA--C 1.6 2.884 0 CA-C-N 122.77 2.532 . . . . 0.0 112.385 175.04 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 tt -58.64 -60.05 4.44 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.002 1.721 . . . . 0.0 111.541 176.175 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.502 2.157 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 178.668 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.515 2.812 0 CA-C-O 117.281 -1.342 . . . . 0.0 110.483 . . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 73.45 -54.68 0.69 Allowed 'General case' 0 N--CA 1.538 3.928 0 CA-C-N 124.028 3.104 . . . . 0.0 107.99 -169.161 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -39.96 -46.26 2.03 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 131.437 3.895 . . . . 0.0 114.57 175.348 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.8 tt -68.96 -41.94 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 CA-C-N 120.51 1.505 . . . . 0.0 112.935 176.967 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.79 -47.59 52.36 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 179.401 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -68.04 -38.88 83.01 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 120.096 1.317 . . . . 0.0 112.072 176.895 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.23 -42.3 75.88 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-N 121.353 1.888 . . . . 0.0 113.851 178.482 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.479 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 9.4 t80 -66.67 -47.26 73.05 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 121.016 1.735 . . . . 0.0 110.562 176.356 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -61.92 -36.63 81.94 Favored 'General case' 0 CA--C 1.575 1.939 0 CA-C-N 120.85 1.659 . . . . 0.0 113.314 -179.451 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.5 mt -80.06 -19.97 46.33 Favored 'General case' 0 CA--C 1.579 2.091 0 CA-C-N 121.984 2.174 . . . . 0.0 112.186 173.512 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.576 ' CE1' HG21 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -66.34 -42.25 88.4 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-N 121.334 1.879 . . . . 0.0 111.399 172.562 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.12 75.76 2.97 Favored 'General case' 0 CA--C 1.594 2.638 0 CA-C-N 118.385 0.538 . . . . 0.0 112.084 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -39.97 -11.94 0.01 OUTLIER 'General case' 0 CA--C 1.609 3.222 0 N-CA-C 118.929 2.937 . . . . 0.0 118.929 175.81 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -100.3 -12.12 19.76 Favored 'General case' 0 CA--C 1.585 2.324 0 C-N-CA 125.77 1.628 . . . . 0.0 112.304 177.419 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 78.36 -7.99 1.72 Allowed 'General case' 0 CA--C 1.597 2.768 0 C-N-CA 126.768 2.027 . . . . 0.0 115.116 -178.73 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.9 t -71.79 -21.7 61.68 Favored 'General case' 0 CA--C 1.572 1.813 0 C-N-CA 127.094 2.157 . . . . 0.0 115.25 178.433 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 82.55 65.53 1.61 Allowed Glycine 0 C--N 1.348 1.246 0 N-CA-C 117.668 1.827 . . . . 0.0 117.668 178.637 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.33 124.14 6.1 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 123.789 0.836 . . . . 0.0 108.797 178.509 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . 0.27 0.5 OUTLIER -99.9 119.97 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 N-CA-C 104.101 -2.555 . . . . 0.0 104.101 176.448 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.7 p -100.34 163.13 12.52 Favored 'General case' 0 CA--C 1.584 2.263 0 CA-C-N 111.695 -2.502 . . . . 0.0 106.479 174.318 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 123' ' ' PHE . . . . . 0.406 ' CD2' ' NE2' ' A' ' 143' ' ' GLN . 1.1 t80 -51.82 -38.55 56.24 Favored 'General case' 0 N--CA 1.521 3.114 0 O-C-N 119.757 -1.839 . . . . 0.0 113.961 177.016 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -54.56 -45.39 73.47 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 124.586 1.155 . . . . 0.0 113.05 177.15 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -65.44 -35.87 82.21 Favored 'General case' 0 CA--C 1.585 2.296 0 CA-C-N 119.296 0.953 . . . . 0.0 109.693 174.574 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.545 ' HA ' HG22 ' A' ' 129' ' ' VAL . 76.5 mt -58.59 -40.72 84.0 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-N 120.1 1.318 . . . . 0.0 111.506 174.67 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -61.43 -48.37 81.49 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-N 119.646 1.112 . . . . 0.0 110.344 173.606 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.7 mmm-85 -51.76 -56.59 12.96 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 123.118 0.567 . . . . 0.0 112.474 174.14 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.576 HG21 ' CE1' ' A' ' 113' ' ' PHE 0.286 14.6 m -65.99 -35.27 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 124.958 1.303 . . . . 0.0 113.708 -178.297 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.4 -48.92 79.82 Favored 'General case' 0 CA--C 1.572 1.813 0 CA-C-N 119.036 0.835 . . . . 0.0 110.703 173.861 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -68.4 -42.19 79.4 Favored 'General case' 0 CA--C 1.582 2.198 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 174.035 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -69.21 -25.46 64.33 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 117.487 2.402 . . . . 0.0 117.487 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.5 mt -69.81 -66.56 0.57 Allowed 'General case' 0 CA--C 1.586 2.345 0 CA-C-N 120.577 1.535 . . . . 0.0 113.011 176.758 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 158.91 -43.79 0.47 Allowed Glycine 0 CA--C 1.557 2.68 0 C-N-CA 125.179 1.371 . . . . 0.0 112.177 -177.139 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -94.99 106.73 18.74 Favored 'General case' 0 CA--C 1.565 1.527 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 177.328 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -77.61 101.93 6.78 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -177.212 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.4 mp -77.53 155.26 31.73 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.242 0.617 . . . . 0.0 111.9 177.011 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 138' ' ' THR . . . . . 0.65 ' O ' HD13 ' A' ' 142' ' ' LEU . 2.6 t -94.92 162.63 13.67 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 125.158 2.409 . . . . 0.0 111.737 -177.799 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -39.95 -50.97 2.52 Favored 'General case' 0 CA--C 1.572 1.803 0 CA-C-N 110.893 -2.867 . . . . 0.0 116.878 178.505 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -41.79 98.26 Favored 'General case' 0 CA--C 1.571 1.758 0 C-N-CA 124.998 1.319 . . . . 0.0 113.251 177.258 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -60.12 -49.96 75.59 Favored 'General case' 0 CA--C 1.577 1.995 0 C-N-CA 123.892 0.877 . . . . 0.0 111.618 175.873 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 142' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 138' ' ' THR . 0.7 OUTLIER -60.76 -49.6 76.83 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 177.579 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 143' ' ' GLN . . . . . 0.406 ' NE2' ' CD2' ' A' ' 123' ' ' PHE . 7.2 tp-100 -67.05 -32.16 73.16 Favored 'General case' 0 CA--C 1.58 2.134 0 CA-C-N 119.506 1.048 . . . . 0.0 111.584 178.905 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -61.1 -47.39 86.49 Favored 'General case' 0 CA--C 1.578 2.021 0 CA-C-N 120.151 1.341 . . . . 0.0 109.929 173.981 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.9 ptp -63.94 -31.37 72.52 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 120.077 1.308 . . . . 0.0 111.951 175.073 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.8 mm -60.05 -54.12 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 CA-C-N 121.686 2.039 . . . . 0.0 109.33 172.469 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.65 -34.64 69.56 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.46 -54.58 30.34 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-O 121.811 0.815 . . . . 0.0 109.945 171.863 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 149' ' ' ALA . . . . . 0.41 ' HB1' ' CG2' ' A' ' 157' ' ' VAL . . . -56.76 -39.45 74.04 Favored 'General case' 0 CA--C 1.572 1.801 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 178.71 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -90.33 96.19 10.54 Favored 'General case' 0 CA--C 1.59 2.49 0 CA-C-O 116.575 -1.678 . . . . 0.0 106.779 178.656 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -32.87 68.01 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 125.954 3.979 . . . . 0.0 118.286 -175.929 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -78.49 -36.11 45.58 Favored 'General case' 0 CA--C 1.589 2.46 0 CA-C-N 118.893 0.77 . . . . 0.0 110.668 173.363 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 88.05 51.89 3.07 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 118.647 2.219 . . . . 0.0 118.647 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -91.6 -42.63 10.1 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 118.955 -0.545 . . . . 0.0 111.397 176.784 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 151.69 -0.97 0.32 Allowed Glycine 0 CA--C 1.552 2.375 0 N-CA-C 119.777 2.671 . . . . 0.0 119.777 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -156.21 153.15 28.75 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 120.631 2.215 . . . . 0.0 111.347 -179.355 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 157' ' ' VAL . . . . . 0.41 ' CG2' ' HB1' ' A' ' 149' ' ' ALA . 8.6 t -99.8 120.44 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 -178.231 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 7.1 t -99.91 173.41 6.68 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-O 123.768 1.747 . . . . 0.0 112.187 -178.063 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.28 -49.35 17.52 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 113.603 -1.635 . . . . 0.0 115.011 178.455 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -61.45 -41.24 96.9 Favored 'General case' 0 CA--C 1.569 1.695 0 CA-C-O 116.295 -1.812 . . . . 0.0 113.447 177.163 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -72.71 -23.85 60.91 Favored 'General case' 0 N--CA 1.506 2.369 0 CA-C-N 123.572 2.896 . . . . 0.0 113.422 175.206 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.479 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.5 OUTLIER -62.72 -59.93 4.2 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 124.822 1.249 . . . . 0.0 110.683 174.988 . . . . . . . . 3 3 . 1 . 021 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' A' ' 163' ' ' LEU . 1.3 pp -80.16 -50.46 10.25 Favored 'General case' 0 CA--C 1.575 1.92 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 178.829 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -80.12 -33.8 38.37 Favored 'General case' 0 CA--C 1.581 2.169 0 N-CA-C 118.661 2.837 . . . . 0.0 118.661 -179.422 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.517 2.879 0 N-CA-C 119.765 3.246 . . . . 0.0 119.765 179.97 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 CA--C 1.581 2.171 0 CA-C-O 118.446 -0.788 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.34 -41.1 99.43 Favored Glycine 0 N--CA 1.5 2.901 0 CA-C-N 120.509 1.504 . . . . 0.0 114.243 174.859 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -64.24 -45.43 88.19 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 124.724 1.21 . . . . 0.0 111.206 175.82 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -57.11 -44.76 83.55 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-N 119.797 1.18 . . . . 0.0 110.215 174.641 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.25 -56.95 14.73 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 119.276 0.944 . . . . 0.0 112.361 177.424 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.515 2.775 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 177.823 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.513 2.699 0 CA-C-O 117.891 -1.052 . . . . 0.0 109.516 . . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 73.98 -56.78 0.64 Allowed 'General case' 0 N--CA 1.532 3.67 0 CA-C-N 124.357 3.253 . . . . 0.0 108.702 -172.904 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -49.04 -37.1 19.78 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 127.072 2.149 . . . . 0.0 114.23 176.161 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.5 mt -64.02 -54.13 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 CA-C-N 121.698 2.045 . . . . 0.0 109.125 175.614 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.3 mp -68.45 -41.74 79.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.71 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -66.89 -45.82 76.83 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-O 116.58 -1.676 . . . . 0.0 112.15 175.647 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.48 -44.31 78.87 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 122.307 2.321 . . . . 0.0 113.72 178.687 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.467 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 8.5 t80 -68.62 -43.15 76.96 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 120.479 1.49 . . . . 0.0 112.39 177.285 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -65.28 -36.27 83.57 Favored 'General case' 0 CA--C 1.571 1.771 0 CA-C-O 116.848 -1.548 . . . . 0.0 112.048 -179.405 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.72 -33.02 71.91 Favored 'General case' 0 CA--C 1.58 2.109 0 CA-C-N 122.464 2.393 . . . . 0.0 111.772 172.477 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -46.08 89.23 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 125.33 1.452 . . . . 0.0 114.185 174.834 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -75.08 66.65 1.66 Allowed 'General case' 0 CA--C 1.602 2.947 0 CA-C-N 119.978 1.263 . . . . 0.0 113.58 178.924 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -39.96 -24.46 0.02 OUTLIER 'General case' 0 N--CA 1.533 3.678 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 175.303 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -92.75 0.19 57.38 Favored 'General case' 0 CA--C 1.59 2.489 0 O-C-N 120.367 -1.458 . . . . 0.0 113.076 177.911 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 72.86 -7.55 1.44 Allowed 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 117.518 2.414 . . . . 0.0 117.518 177.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.1 p -71.05 -24.37 62.33 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 119.369 -2.082 . . . . 0.0 115.33 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 78.08 56.23 3.82 Favored Glycine 0 CA--C 1.54 1.656 0 N-CA-C 116.803 1.481 . . . . 0.0 116.803 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -153.0 109.94 3.47 Favored 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -179.274 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.3 mp -99.99 129.19 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.58 0 CA-C-O 123.236 1.493 . . . . 0.0 109.596 179.505 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.67 170.04 8.17 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 111.79 -2.459 . . . . 0.0 108.47 175.533 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -54.92 -38.1 67.23 Favored 'General case' 0 N--CA 1.508 2.451 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 179.432 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -65.18 -40.13 93.82 Favored 'General case' 0 CA--C 1.574 1.902 0 O-C-N 121.371 -0.831 . . . . 0.0 111.886 178.87 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -34.76 78.74 Favored 'General case' 0 CA--C 1.583 2.219 0 CA-C-O 117.754 -1.117 . . . . 0.0 109.107 174.072 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.9 mt -54.03 -47.48 71.51 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 121.06 1.754 . . . . 0.0 110.38 172.95 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -56.65 -45.62 81.51 Favored 'General case' 0 CA--C 1.576 1.958 0 C-N-CA 124.575 1.15 . . . . 0.0 111.801 174.919 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -54.4 -52.27 62.24 Favored 'General case' 0 N--CA 1.508 2.47 0 CA-C-N 119.271 0.941 . . . . 0.0 112.126 175.404 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . 0.266 6.1 t -67.9 -36.07 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.363 0 C-N-CA 123.193 0.597 . . . . 0.0 110.837 178.386 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.91 -45.15 82.84 Favored 'General case' 0 CA--C 1.573 1.853 0 CA-C-N 120.231 1.378 . . . . 0.0 113.216 175.451 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -71.68 -47.46 54.04 Favored 'General case' 0 CA--C 1.58 2.103 0 CA-C-N 120.401 1.455 . . . . 0.0 112.508 174.274 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -51.35 -44.92 62.19 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 118.053 2.612 . . . . 0.0 118.053 179.53 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -41.13 93.04 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 117.658 2.466 . . . . 0.0 117.658 179.759 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 175.79 -63.82 0.1 OUTLIER Glycine 0 CA--C 1.542 1.767 0 CA-C-N 112.173 -2.285 . . . . 0.0 111.174 178.769 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -165.06 135.89 3.95 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 120.714 2.257 . . . . 0.0 108.885 178.775 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -60.3 145.39 47.77 Favored 'General case' 0 CA--C 1.56 1.346 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -179.323 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.7 tt -78.71 -93.29 0.03 OUTLIER 'General case' 0 CA--C 1.562 1.405 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.381 179.593 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.2 m -157.86 143.71 17.26 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 120.873 1.67 . . . . 0.0 106.94 176.236 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -42.73 -50.3 5.57 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 117.339 2.348 . . . . 0.0 117.339 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.2 -41.71 99.2 Favored 'General case' 0 CA--C 1.574 1.881 0 C-N-CA 125.281 1.433 . . . . 0.0 113.708 177.878 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.89 -51.62 67.42 Favored 'General case' 0 N--CA 1.499 2.003 0 C-N-CA 124.799 1.24 . . . . 0.0 111.156 175.889 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 12.2 mt -57.03 -38.53 73.3 Favored 'General case' 0 CA--C 1.58 2.11 0 O-C-N 120.908 -1.12 . . . . 0.0 111.849 174.289 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -70.84 -38.6 73.2 Favored 'General case' 0 CA--C 1.568 1.659 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.736 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -58.68 -38.26 77.83 Favored 'General case' 0 CA--C 1.584 2.258 0 CA-C-N 120.077 1.308 . . . . 0.0 109.836 172.711 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -45.3 93.29 Favored 'General case' 0 CA--C 1.578 2.032 0 C-N-CA 124.248 1.019 . . . . 0.0 110.624 173.265 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 11.8 mm -58.64 -56.39 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 C-N-CA 124.871 1.268 . . . . 0.0 111.27 174.23 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -38.64 70.06 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -47.43 54.37 Favored 'General case' 0 CA--C 1.59 2.498 0 CA-C-N 120.082 1.31 . . . . 0.0 110.885 172.952 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.23 -37.16 79.48 Favored 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 117.401 2.371 . . . . 0.0 117.401 178.752 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.311 27.0 t70 -70.33 44.0 0.07 Allowed 'General case' 0 CA--C 1.604 3.023 0 CA-C-N 120.66 1.573 . . . . 0.0 113.308 178.315 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -39.91 -50.01 2.46 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 120.284 3.439 . . . . 0.0 120.284 -171.758 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -137.5 55.73 1.79 Allowed 'General case' 0 CA--C 1.575 1.904 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 175.426 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -128.46 -141.28 5.17 Favored Glycine 0 CA--C 1.567 3.32 0 CA-C-N 121.681 2.037 . . . . 0.0 114.731 -178.612 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -129.47 16.95 5.95 Favored 'General case' 0 CA--C 1.593 2.6 0 C-N-CA 125.69 1.596 . . . . 0.0 114.911 -177.247 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 114.31 19.31 6.31 Favored Glycine 0 CA--C 1.568 3.355 0 O-C-N 119.526 -1.984 . . . . 0.0 113.64 -175.528 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -157.24 163.39 38.83 Favored 'General case' 0 CA--C 1.58 2.125 0 C-N-CA 125.979 1.712 . . . . 0.0 107.883 -177.773 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.89 116.2 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.282 0 O-C-N 119.095 -2.253 . . . . 0.0 107.349 -176.706 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 4.2 t -100.75 171.81 7.46 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 122.849 1.309 . . . . 0.0 114.246 -178.466 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -46.21 23.71 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.304 1.442 . . . . 0.0 114.504 176.076 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -42.87 99.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.214 -1.554 . . . . 0.0 114.783 177.981 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.256 2.0 tp10 -72.19 -34.54 68.49 Favored 'General case' 0 CA--C 1.591 2.531 0 CA-C-N 120.418 1.463 . . . . 0.0 110.42 174.441 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.467 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 4.0 t80 -57.4 -50.6 72.46 Favored 'General case' 0 C--N 1.361 1.07 0 CA-C-N 120.626 1.557 . . . . 0.0 113.397 176.665 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.08 -55.59 4.83 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-O 119.146 -0.454 . . . . 0.0 112.126 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.445 ' O ' HG22 ' A' ' 165' ' ' ILE . 16.4 mmp_? -80.27 -60.0 2.49 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 118.019 2.6 . . . . 0.0 118.019 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 165' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 164' ' ' ARG 0.261 7.2 tp . . . . . 0 N--CA 1.511 2.607 1 C-N-CA 131.874 4.07 . . . . 0.0 112.773 -177.462 . . . . . . . . 3 2 . 1 . 023 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.514 2.726 0 N-CA-C 117.184 2.29 . . . . 0.0 117.184 . . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -50.69 -37.02 33.38 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 116.999 1.56 . . . . 0.0 116.999 177.42 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.04 -42.27 97.13 Favored 'General case' 0 CA--C 1.579 2.088 0 CA-C-O 118.583 -0.723 . . . . 0.0 111.668 175.915 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -62.39 -45.84 91.31 Favored 'General case' 0 CA--C 1.589 2.48 0 CA-C-N 120.926 1.694 . . . . 0.0 107.352 172.923 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 90' ' ' LEU . . . . . 0.52 HD23 ' HB2' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -50.24 -55.63 14.51 Favored 'General case' 0 N--CA 1.509 2.511 0 CA-C-N 120.378 1.445 . . . . 0.0 113.999 174.663 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.0 m . . . . . 0 N--CA 1.503 2.2 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 178.328 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.287 0.0 OUTLIER . . . . . 0 N--CA 1.513 2.72 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 . . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 65.38 -32.14 0.15 Allowed 'General case' 0 N--CA 1.527 3.403 0 O-C-N 119.276 -2.14 . . . . 0.0 112.765 -170.389 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -69.14 -30.45 68.71 Favored 'General case' 0 CA--C 1.568 1.638 0 CA-C-N 121.616 2.007 . . . . 0.0 112.476 175.78 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -37.2 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.408 0 CA-C-N 119.665 1.121 . . . . 0.0 111.434 173.559 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.461 HD13 ' CZ ' ' A' ' 162' ' ' PHE . 1.0 OUTLIER -62.87 -46.42 87.96 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 177.031 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -67.1 -40.65 86.95 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 119.336 0.971 . . . . 0.0 112.596 176.344 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 109' ' ' ALA . . . . . 0.52 ' HB2' HD23 ' A' ' 90' ' ' LEU . . . -63.2 -54.87 30.71 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 117.358 -1.306 . . . . 0.0 113.023 177.389 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.554 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 3.2 t80 -62.84 -45.63 91.7 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-N 121.032 1.742 . . . . 0.0 112.141 178.257 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -64.49 -30.02 71.06 Favored 'General case' 0 CA--C 1.587 2.371 0 CA-C-N 120.481 1.491 . . . . 0.0 111.726 179.754 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.7 mt -79.76 -19.98 47.41 Favored 'General case' 0 CA--C 1.58 2.116 0 CA-C-N 122.382 2.355 . . . . 0.0 111.931 172.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -62.17 -44.46 96.56 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 122.625 2.466 . . . . 0.0 110.792 171.234 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.87 76.76 0.89 Allowed 'General case' 0 CA--C 1.581 2.173 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -178.295 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -50.86 -10.09 0.06 Allowed 'General case' 0 CA--C 1.617 3.528 0 O-C-N 119.773 -1.829 . . . . 0.0 115.472 172.636 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -104.66 -18.76 14.18 Favored 'General case' 0 CA--C 1.584 2.288 0 C-N-CA 126.57 1.948 . . . . 0.0 111.583 177.269 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 81.18 -5.25 1.65 Allowed 'General case' 0 CA--C 1.589 2.445 0 CA-C-N 121.796 2.089 . . . . 0.0 114.835 -179.328 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.1 t -64.89 -21.83 66.88 Favored 'General case' 0 CA--C 1.572 1.805 0 O-C-N 119.732 -1.855 . . . . 0.0 115.032 179.16 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.56 57.35 6.67 Favored Glycine 0 C--N 1.353 1.482 0 N-CA-C 118.784 2.274 . . . . 0.0 118.784 177.788 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.95 110.62 4.51 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 178.17 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . 0.25 0.5 OUTLIER -99.94 118.58 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 CA-C-O 123.908 1.813 . . . . 0.0 106.937 178.978 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 76.2 p -100.01 162.2 13.13 Favored 'General case' 0 CA--C 1.574 1.875 0 CA-C-N 111.212 -2.722 . . . . 0.0 106.438 174.981 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -52.25 -35.87 50.96 Favored 'General case' 0 CA--C 1.583 2.226 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -179.477 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -63.06 -39.06 93.6 Favored 'General case' 0 CA--C 1.571 1.754 0 CA-C-O 117.329 -1.319 . . . . 0.0 113.874 178.061 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.26 0.4 OUTLIER -72.08 -29.65 64.33 Favored 'General case' 0 N--CA 1.513 2.695 0 CA-C-N 121.623 2.011 . . . . 0.0 110.103 176.161 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.47 -42.34 82.4 Favored 'General case' 0 N--CA 1.514 2.763 0 CA-C-N 121.56 1.982 . . . . 0.0 110.175 169.953 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -60.14 -45.94 91.32 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 124.135 0.974 . . . . 0.0 111.505 174.468 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -50.74 -60.11 3.39 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 123.717 0.807 . . . . 0.0 111.423 174.954 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.3 m -62.88 -41.27 91.99 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.422 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -179.13 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.52 -50.51 71.62 Favored 'General case' 0 CA--C 1.567 1.601 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 177.617 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -37.05 54.2 Favored 'General case' 0 CA--C 1.577 2.015 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.929 174.803 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -66.98 -25.73 66.46 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 176.421 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.8 mt -60.78 -61.69 2.4 Favored 'General case' 0 CA--C 1.574 1.872 0 CA-C-N 119.746 1.157 . . . . 0.0 113.712 176.281 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 154.33 35.96 0.03 OUTLIER Glycine 0 CA--C 1.552 2.385 0 C-N-CA 124.65 1.119 . . . . 0.0 114.975 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 68.84 122.09 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 126.205 1.802 . . . . 0.0 113.145 -178.731 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -166.75 -50.13 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.549 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -129.19 169.23 15.05 Favored 'General case' 0 N--CA 1.498 1.974 0 CA-C-N 120.295 1.407 . . . . 0.0 113.303 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 13.4 t -110.17 162.38 14.64 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -176.004 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -43.3 -51.25 6.37 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 117.606 2.447 . . . . 0.0 117.606 179.375 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.6 -46.83 88.16 Favored 'General case' 0 CA--C 1.578 2.048 0 CA-C-N 113.785 -1.552 . . . . 0.0 113.041 178.129 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . 0.263 8.1 tp10 -57.25 -48.72 78.13 Favored 'General case' 0 CA--C 1.591 2.537 0 C-N-CA 124.539 1.136 . . . . 0.0 111.562 175.744 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 30.4 mt -56.41 -40.77 75.22 Favored 'General case' 0 CA--C 1.577 2.0 0 O-C-N 119.769 -1.832 . . . . 0.0 111.672 172.903 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -39.35 94.29 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 117.008 -1.473 . . . . 0.0 111.009 177.78 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -63.38 -32.7 74.2 Favored 'General case' 0 CA--C 1.593 2.598 0 CA-C-N 121.834 2.106 . . . . 0.0 110.722 173.23 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -64.44 -34.46 78.25 Favored 'General case' 0 CA--C 1.589 2.473 0 O-C-N 120.627 -1.295 . . . . 0.0 111.609 172.23 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.2 mm -60.33 -58.03 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 119.861 -1.775 . . . . 0.0 108.775 173.419 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.61 -35.41 63.36 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.252 179.652 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -38.15 83.37 Favored 'General case' 0 N--CA 1.513 2.697 0 CA-C-N 121.637 2.017 . . . . 0.0 112.039 172.988 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.0 -28.02 39.52 Favored 'General case' 0 CA--C 1.586 2.334 0 N-CA-C 120.411 3.486 . . . . 0.0 120.411 177.418 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.62 41.71 0.02 OUTLIER 'General case' 0 CA--C 1.596 2.743 0 N-CA-C 120.261 3.43 . . . . 0.0 120.261 -176.013 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -22.98 63.72 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 121.608 3.929 . . . . 0.0 121.608 -174.624 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.94 -29.04 68.01 Favored 'General case' 0 CA--C 1.596 2.727 0 CA-C-N 120.347 1.43 . . . . 0.0 110.922 172.909 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 109.3 18.25 9.33 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 122.466 3.746 . . . . 0.0 122.466 176.28 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -123.94 9.52 8.78 Favored 'General case' 0 CA--C 1.586 2.355 0 CA-C-N 119.827 1.813 . . . . 0.0 112.759 178.587 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 84.19 22.29 54.96 Favored Glycine 0 N--CA 1.505 3.258 0 CA-C-N 123.651 2.932 . . . . 0.0 118.31 -178.693 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -148.06 150.39 33.82 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 119.314 1.557 . . . . 0.0 108.746 178.056 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.3 t -99.89 117.98 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.116 -0.99 . . . . 0.0 110.561 -175.458 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 158' ' ' SER . . . . . 0.476 ' H ' ' CG ' ' A' ' 161' ' ' GLU . 1.2 m -99.86 169.63 9.09 Favored 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 125.146 1.378 . . . . 0.0 111.702 -179.134 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -49.98 65.08 Favored 'General case' 0 N--CA 1.504 2.247 0 CA-C-O 116.177 -1.868 . . . . 0.0 113.554 178.655 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 160' ' ' GLN . . . . . 0.422 ' HA ' ' CD2' ' A' ' 163' ' ' LEU . 2.2 mp0 -59.53 -41.94 91.17 Favored 'General case' 0 CA--C 1.571 1.759 0 CA-C-N 122.797 2.544 . . . . 0.0 113.757 176.468 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 161' ' ' GLU . . . . . 0.476 ' CG ' ' H ' ' A' ' 158' ' ' SER . 6.6 pt-20 -72.44 -19.8 61.51 Favored 'General case' 0 CA--C 1.587 2.401 0 CA-C-N 120.696 1.589 . . . . 0.0 112.948 174.989 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -69.14 -59.98 2.66 Favored 'General case' 0 CA--C 1.566 1.577 0 O-C-N 119.38 -2.075 . . . . 0.0 109.813 174.3 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.422 ' CD2' ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -80.14 -51.58 8.81 Favored 'General case' 0 CA--C 1.58 2.118 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 178.743 . . . . . . . . 3 3 . 1 . 023 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 15.0 mtm-85 -80.18 -19.81 46.22 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 120.824 3.639 . . . . 0.0 120.824 -176.224 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.969 0 CA-C-N 124.777 3.444 . . . . 0.0 116.817 179.598 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 CA--C 1.627 3.918 1 N-CA-C 96.404 -5.406 . . . . 0.0 96.404 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -39.87 -40.53 1.66 Allowed Glycine 1 C--N 1.407 4.49 0 CA-C-N 124.969 3.531 . . . . 0.0 118.161 -175.587 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.72 -49.8 60.75 Favored 'General case' 0 CA--C 1.582 2.209 0 CA-C-N 111.664 -2.268 . . . . 0.0 109.462 174.644 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -60.81 -38.93 87.09 Favored 'General case' 0 N--CA 1.518 2.97 0 CA-C-N 123.173 2.715 . . . . 0.0 110.622 173.16 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.35 -59.08 6.02 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 119.584 -1.948 . . . . 0.0 111.763 176.37 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.501 2.099 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 177.134 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.524 3.27 0 CA-C-O 116.286 -1.816 . . . . 0.0 108.341 . . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 68.55 -53.0 0.55 Allowed 'General case' 1 N--CA 1.546 4.363 1 CA-C-N 126.13 4.059 . . . . 0.0 110.38 -173.137 . . . . . . . . 3 2 . 1 . 024 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . 0.323 2.6 tt0 -39.97 -50.32 2.52 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 131.664 3.985 . . . . 0.0 111.137 171.605 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.0 tt -63.47 -45.09 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 CA-C-N 119.426 1.012 . . . . 0.0 112.837 177.654 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.28 -45.95 71.7 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.029 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -66.14 -48.3 71.25 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-O 117.325 -1.322 . . . . 0.0 112.255 176.556 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.88 87.48 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 121.245 1.839 . . . . 0.0 114.433 179.083 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.461 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 6.8 t80 -68.52 -45.74 71.45 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-O 116.93 -1.51 . . . . 0.0 111.428 175.986 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -63.48 -33.8 76.37 Favored 'General case' 0 CA--C 1.58 2.124 0 CA-C-N 120.384 1.447 . . . . 0.0 112.264 -178.447 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 pp -76.33 -22.66 54.65 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 121.247 1.839 . . . . 0.0 112.582 172.33 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 113' ' ' PHE . . . . . 0.555 ' CE1' HG21 ' A' ' 129' ' ' VAL . 13.7 m-85 -62.34 -52.77 62.32 Favored 'General case' 0 CA--C 1.567 1.62 0 CA-C-N 121.232 1.833 . . . . 0.0 109.967 172.369 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -68.51 71.42 0.19 Allowed 'General case' 0 CA--C 1.591 2.552 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -176.301 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 115' ' ' ASP . . . . . 0.435 ' CG ' HH21 ' A' ' 128' ' ' ARG . 66.0 m-20 -40.03 -16.12 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.82 0 N-CA-C 119.095 2.998 . . . . 0.0 119.095 174.646 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -101.32 -2.9 29.91 Favored 'General case' 0 CA--C 1.589 2.475 0 CA-C-N 120.45 1.477 . . . . 0.0 112.292 177.62 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 73.55 -6.16 1.83 Allowed 'General case' 0 CA--C 1.586 2.359 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 178.51 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.6 p -72.16 -28.51 63.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 119.24 -2.163 . . . . 0.0 114.268 179.367 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.81 55.18 2.88 Favored Glycine 0 CA--C 1.541 1.706 0 N-CA-C 117.08 1.592 . . . . 0.0 117.08 179.74 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -146.15 109.92 4.87 Favored 'General case' 0 CA--C 1.561 1.404 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.327 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.3 mp -102.07 119.09 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 CA-C-O 124.032 1.873 . . . . 0.0 108.218 178.042 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.2 p -99.97 165.93 11.3 Favored 'General case' 0 CA--C 1.596 2.715 0 CA-C-N 111.152 -2.749 . . . . 0.0 104.951 172.243 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -49.05 -40.7 32.39 Favored 'General case' 0 N--CA 1.511 2.603 0 N-CA-C 117.268 2.322 . . . . 0.0 117.268 -179.888 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -59.29 -42.82 92.17 Favored 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 178.466 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -66.13 -36.8 84.1 Favored 'General case' 0 N--CA 1.508 2.439 0 CA-C-O 117.069 -1.443 . . . . 0.0 109.16 174.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 126' ' ' LEU . . . . . 0.469 ' HA ' HG23 ' A' ' 129' ' ' VAL . 49.7 mt -55.72 -39.43 71.08 Favored 'General case' 0 CA--C 1.592 2.591 0 CA-C-N 121.997 2.181 . . . . 0.0 110.4 173.55 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -57.64 -48.72 78.67 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 125.563 1.545 . . . . 0.0 110.621 172.966 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 128' ' ' ARG . . . . . 0.435 HH21 ' CG ' ' A' ' 115' ' ' ASP . 2.6 ppt_? -57.16 -44.0 83.07 Favored 'General case' 0 N--CA 1.517 2.881 0 CA-C-N 120.175 1.352 . . . . 0.0 112.855 175.832 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.555 HG21 ' CE1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -67.78 -43.54 86.26 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 178.377 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -48.48 -47.16 38.78 Favored 'General case' 0 CA--C 1.562 1.415 0 C-N-CA 125.05 1.34 . . . . 0.0 113.5 176.222 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -75.15 -34.29 61.61 Favored 'General case' 0 CA--C 1.589 2.47 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 173.823 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -75.5 -29.87 59.67 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 119.1 3.0 . . . . 0.0 119.1 179.41 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 37.7 mt -64.69 -75.31 0.09 Allowed 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -178.728 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -166.91 -41.54 0.02 OUTLIER Glycine 0 N--CA 1.492 2.417 0 N-CA-C 118.738 2.255 . . . . 0.0 118.738 -179.114 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -128.16 119.85 26.11 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 119.552 1.676 . . . . 0.0 108.415 -179.635 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -90.03 109.07 20.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.21 -0.931 . . . . 0.0 111.369 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.16 -116.78 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 122.869 0.468 . . . . 0.0 111.088 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.8 t -150.06 163.2 38.79 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 125.683 2.659 . . . . 0.0 110.124 179.655 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -44.67 -49.16 10.52 Favored 'General case' 0 CA--C 1.569 1.704 0 CA-C-N 110.377 -3.101 . . . . 0.0 117.249 177.573 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.88 -43.41 98.86 Favored 'General case' 0 CA--C 1.574 1.878 0 C-N-CA 125.761 1.625 . . . . 0.0 113.144 178.172 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -56.05 -54.8 40.64 Favored 'General case' 0 N--CA 1.505 2.291 0 C-N-CA 124.192 0.997 . . . . 0.0 110.779 174.119 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.3 mt -59.55 -35.09 73.54 Favored 'General case' 0 CA--C 1.574 1.873 0 O-C-N 120.886 -1.134 . . . . 0.0 113.282 175.973 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -38.75 81.74 Favored 'General case' 0 CA--C 1.561 1.396 0 CA-C-O 117.002 -1.475 . . . . 0.0 111.187 178.953 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -63.77 -35.77 81.7 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-N 121.246 1.839 . . . . 0.0 109.456 172.623 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 78.2 mmm -59.98 -39.62 86.31 Favored 'General case' 0 CA--C 1.588 2.417 0 O-C-N 120.091 -1.631 . . . . 0.0 110.965 173.144 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.2 mm -60.43 -55.93 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 C-N-CA 124.453 1.101 . . . . 0.0 109.18 172.175 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.3 -41.21 27.45 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -179.545 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -73.41 -45.59 53.72 Favored 'General case' 0 CA--C 1.587 2.384 0 N-CA-C 111.442 0.164 . . . . 0.0 111.442 174.536 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.28 -37.65 88.24 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 117.78 2.511 . . . . 0.0 117.78 177.932 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.31 32.7 t70 -77.52 44.44 0.44 Allowed 'General case' 0 CA--C 1.583 2.22 0 C-N-CA 126.075 1.75 . . . . 0.0 115.133 -178.737 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.09 -50.02 3.43 Favored 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 119.241 3.052 . . . . 0.0 119.241 -175.362 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -127.11 46.25 2.55 Favored 'General case' 0 CA--C 1.588 2.409 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 175.799 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -118.95 -32.84 1.22 Allowed Glycine 0 N--CA 1.497 2.706 0 N-CA-C 123.015 3.966 . . . . 0.0 123.015 -176.926 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 16.1 t70 79.71 -13.73 0.92 Allowed 'General case' 0 CA--C 1.598 2.816 0 CA-C-N 120.02 1.91 . . . . 0.0 113.594 -176.629 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 172.36 9.1 0.02 OUTLIER Glycine 0 CA--C 1.559 2.84 0 N-CA-C 118.689 2.236 . . . . 0.0 118.689 179.214 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -160.05 148.9 17.34 Favored 'General case' 0 CA--C 1.57 1.714 0 CA-C-N 120.333 2.067 . . . . 0.0 111.838 -179.438 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.4 t -99.84 112.05 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 N-CA-C 104.187 -2.523 . . . . 0.0 104.187 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 83.8 p -99.91 173.84 6.48 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-O 122.159 0.98 . . . . 0.0 113.386 -178.103 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -47.28 -49.19 24.23 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 179.481 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -61.97 -42.58 99.29 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 116.749 -1.596 . . . . 0.0 114.788 177.739 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.321 6.4 tp10 -72.81 -25.35 61.11 Favored 'General case' 0 CA--C 1.589 2.477 0 CA-C-N 122.147 2.249 . . . . 0.0 112.522 175.842 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.6 OUTLIER -63.85 -59.22 4.81 Favored 'General case' 0 CA--C 1.554 1.105 0 O-C-N 119.676 -1.89 . . . . 0.0 110.915 175.263 . . . . . . . . 3 3 . 1 . 024 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' A' ' 163' ' ' LEU 0.262 0.3 OUTLIER -80.18 -47.6 14.44 Favored 'General case' 0 CA--C 1.575 1.936 0 CA-C-O 117.406 -1.283 . . . . 0.0 113.366 -179.868 . . . . . . . . 4 4 . 1 . 024 nuclear build core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.04 -19.91 46.51 Favored 'General case' 0 N--CA 1.505 2.314 0 CA-C-N 122.439 2.381 . . . . 0.0 117.276 177.751 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.253 6.7 tp . . . . . 0 N--CA 1.512 2.633 0 CA-C-N 122.582 2.446 . . . . 0.0 117.526 -178.705 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 . . . . . 0 N--CA 1.51 2.527 0 N-CA-C 119.987 3.328 . . . . 0.0 119.987 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -44.98 -47.1 9.59 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 116.605 1.402 . . . . 0.0 116.605 179.234 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -62.81 -55.09 29.51 Favored 'General case' 0 CA--C 1.569 1.705 0 CA-C-O 117.431 -1.271 . . . . 0.0 112.193 176.203 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -52.44 -46.73 66.56 Favored 'General case' 0 N--CA 1.512 2.641 0 CA-C-N 120.363 1.438 . . . . 0.0 111.309 175.463 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.24 -56.01 27.57 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 124.627 1.171 . . . . 0.0 112.984 175.171 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 N--CA 1.501 2.094 0 C-N-CA 124.714 1.206 . . . . 0.0 112.813 176.092 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.04 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 . . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 69.92 -45.08 0.57 Allowed 'General case' 0 N--CA 1.526 3.36 0 CA-C-N 121.527 1.967 . . . . 0.0 111.883 -174.407 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -62.35 -22.48 66.13 Favored 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 126.151 1.781 . . . . 0.0 113.814 177.148 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.7 tt -53.87 -39.75 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.668 0 CA-C-N 122.884 2.584 . . . . 0.0 109.294 172.769 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 107' ' ' LEU . . . . . 0.441 ' HA ' ' HE1' ' A' ' 162' ' ' PHE . 1.2 mm? -63.31 -48.31 78.6 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 179.199 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.06 -47.16 69.1 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 117.596 -1.192 . . . . 0.0 111.091 175.587 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.78 -43.95 97.4 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 120.819 1.645 . . . . 0.0 114.636 179.051 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 110' ' ' PHE . . . . . 0.478 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.5 t80 -69.69 -46.29 66.36 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 121.174 1.806 . . . . 0.0 111.482 177.259 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . 0.275 10.6 tptp -70.08 -27.66 64.79 Favored 'General case' 0 CA--C 1.576 1.96 0 CA-C-N 120.684 1.584 . . . . 0.0 112.939 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 pp -77.73 -30.48 51.7 Favored 'General case' 0 CA--C 1.579 2.069 0 CA-C-N 122.533 2.424 . . . . 0.0 111.363 172.106 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.36 -49.11 77.21 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 175.534 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -94.69 68.23 3.35 Favored 'General case' 0 CA--C 1.596 2.712 0 O-C-N 123.679 0.612 . . . . 0.0 111.3 -177.748 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.75 -14.93 56.89 Favored 'General case' 0 CA--C 1.591 2.553 0 O-C-N 118.286 -2.759 . . . . 0.0 115.178 178.029 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -78.46 -16.08 57.95 Favored 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 121.955 2.161 . . . . 0.0 113.505 177.299 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 76.5 50.03 0.06 Allowed 'General case' 0 N--CA 1.508 2.426 0 CA-C-O 126.893 3.235 . . . . 0.0 114.816 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.8 p -107.65 -42.4 4.76 Favored 'General case' 0 CA--C 1.574 1.898 0 CA-C-N 109.422 -3.536 . . . . 0.0 109.692 177.202 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 69.7 52.37 20.7 Favored Glycine 0 N--CA 1.481 1.684 0 C-N-CA 126.22 1.867 . . . . 0.0 117.402 -179.688 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.03 113.07 6.12 Favored 'General case' 0 CA--C 1.562 1.437 0 CA-C-N 118.398 1.099 . . . . 0.0 109.429 179.209 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.2 mp -99.9 127.73 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.363 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 176.436 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.96 165.38 12.39 Favored 'General case' 0 CA--C 1.58 2.097 0 CA-C-N 111.765 -2.47 . . . . 0.0 107.052 177.742 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -41.99 -40.02 2.08 Favored 'General case' 0 N--CA 1.515 2.796 0 N-CA-C 118.167 2.654 . . . . 0.0 118.167 -178.65 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -61.74 -39.21 90.79 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 178.665 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -33.44 73.02 Favored 'General case' 0 CA--C 1.585 2.31 0 CA-C-O 117.465 -1.255 . . . . 0.0 109.109 175.767 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.4 mp -56.95 -39.23 74.18 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 122.268 2.304 . . . . 0.0 110.802 171.347 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -56.94 -46.33 82.15 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 123.868 0.867 . . . . 0.0 110.419 171.926 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -56.59 -53.92 51.98 Favored 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 119.197 0.908 . . . . 0.0 112.516 174.089 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 129' ' ' VAL . . . . . 0.471 HG22 HD22 ' A' ' 133' ' ' LEU 0.258 0.2 OUTLIER -58.93 -42.82 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.629 0 CA-C-O 117.078 -1.439 . . . . 0.0 111.687 178.421 . . . . . . . . 4 4 . 1 . 025 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.24 -40.65 67.91 Favored 'General case' 0 CA--C 1.578 2.046 0 CA-C-N 120.496 1.498 . . . . 0.0 112.653 175.04 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -71.44 -46.47 59.96 Favored 'General case' 0 CA--C 1.576 1.949 0 CA-C-N 119.278 0.944 . . . . 0.0 111.62 173.434 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.93 -45.42 67.65 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 177.475 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 133' ' ' LEU . . . . . 0.471 HD22 HG22 ' A' ' 129' ' ' VAL 0.359 7.0 mp -70.4 -19.04 63.04 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 117.804 2.52 . . . . 0.0 117.804 175.26 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.57 -44.5 2.9 Favored Glycine 0 N--CA 1.486 2.03 0 CA-C-N 113.938 -1.483 . . . . 0.0 115.26 -179.775 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.02 93.72 8.66 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -85.0 -17.79 36.47 Favored 'General case' 0 CA--C 1.571 1.775 0 N-CA-C 118.036 2.606 . . . . 0.0 118.036 -178.178 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.294 0.0 OUTLIER 46.43 -116.61 0.67 Allowed 'General case' 0 N--CA 1.505 2.275 0 C-N-CA 126.034 1.734 . . . . 0.0 112.002 -177.931 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.8 t -151.19 165.5 33.75 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 122.668 2.486 . . . . 0.0 109.74 178.12 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -42.6 -49.12 5.51 Favored 'General case' 0 CA--C 1.57 1.743 0 CA-C-N 111.305 -2.68 . . . . 0.0 116.997 176.902 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.88 -44.23 97.23 Favored 'General case' 0 CA--C 1.573 1.854 0 C-N-CA 126.278 1.831 . . . . 0.0 112.226 177.628 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.87 -52.88 63.4 Favored 'General case' 0 N--CA 1.507 2.382 0 CA-C-N 119.388 0.994 . . . . 0.0 110.98 175.001 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.85 -36.68 74.97 Favored 'General case' 0 CA--C 1.574 1.874 0 O-C-N 121.205 -0.935 . . . . 0.0 113.049 175.915 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -37.24 76.99 Favored 'General case' 0 CA--C 1.566 1.574 0 CA-C-N 119.455 1.025 . . . . 0.0 111.558 178.154 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -60.24 -40.32 89.82 Favored 'General case' 0 CA--C 1.587 2.395 0 CA-C-N 120.007 1.276 . . . . 0.0 109.726 173.328 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.7 mmm -59.28 -44.22 92.47 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.399 -0.813 . . . . 0.0 111.658 173.225 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.8 mm -58.41 -59.78 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 C-N-CA 124.733 1.213 . . . . 0.0 110.769 174.922 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.54 -31.93 57.3 Favored 'General case' 0 N--CA 1.505 2.323 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -179.276 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.23 -36.69 61.31 Favored 'General case' 0 CA--C 1.599 2.86 0 CA-C-N 121.004 1.729 . . . . 0.0 111.905 172.368 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -75.01 -28.13 60.39 Favored 'General case' 0 CA--C 1.579 2.073 0 N-CA-C 117.767 2.506 . . . . 0.0 117.767 176.372 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.88 32.87 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.642 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 -178.201 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -27.76 61.33 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 119.863 3.282 . . . . 0.0 119.863 -173.43 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.55 -29.88 66.45 Favored 'General case' 0 CA--C 1.584 2.252 0 CA-C-O 116.021 -1.942 . . . . 0.0 111.875 175.192 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 143.61 -30.37 1.96 Allowed Glycine 0 N--CA 1.498 2.775 1 N-CA-C 126.657 5.423 . . . . 0.0 126.657 175.965 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -103.56 16.27 26.87 Favored 'General case' 0 CA--C 1.586 2.331 0 CA-C-N 121.308 2.554 . . . . 0.0 116.097 -176.501 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 84.69 18.49 61.65 Favored Glycine 0 N--CA 1.508 3.473 0 CA-C-N 125.208 3.64 . . . . 0.0 118.951 -179.611 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . 0.27 6.8 pt-20 -147.26 156.99 43.42 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 125.031 1.332 . . . . 0.0 107.831 178.631 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.78 121.03 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 120.0 -1.688 . . . . 0.0 109.554 -173.757 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 85.4 p -99.96 173.13 6.8 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 124.991 1.316 . . . . 0.0 111.467 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -57.53 -46.75 83.48 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -178.182 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -30.11 71.08 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-N 121.159 1.799 . . . . 0.0 112.372 177.696 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -78.21 -23.28 47.56 Favored 'General case' 0 CA--C 1.589 2.446 0 CA-C-N 122.123 2.238 . . . . 0.0 111.725 173.806 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 162' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -61.85 -56.75 16.12 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 126.793 2.037 . . . . 0.0 108.803 173.686 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 163' ' ' LEU . . . . . 0.454 HD22 ' H ' ' A' ' 164' ' ' ARG . 0.0 OUTLIER -80.12 -60.06 2.48 Favored 'General case' 0 CA--C 1.589 2.449 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 176.357 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 164' ' ' ARG . . . . . 0.454 ' H ' HD22 ' A' ' 163' ' ' LEU . 1.4 tmm_? -80.2 -23.38 41.01 Favored 'General case' 0 CA--C 1.573 1.86 1 N-CA-C 122.082 4.105 . . . . 0.0 122.082 -177.972 . . . . . . . . 3 3 . 1 . 025 nuclear build core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.254 8.0 tp . . . . . 0 N--CA 1.526 3.357 0 CA-C-N 122.374 2.352 . . . . 0.0 116.979 -174.798 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 CA--C 1.575 1.94 0 CA-C-O 117.587 -1.197 . . . . 0.0 114.066 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.34 -48.27 59.08 Favored Glycine 0 N--CA 1.496 2.66 0 CA-C-N 121.602 2.001 . . . . 0.0 115.443 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.83 -42.03 91.06 Favored 'General case' 0 CA--C 1.575 1.935 0 CA-C-O 117.652 -1.166 . . . . 0.0 110.122 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -57.41 -43.74 84.01 Favored 'General case' 0 N--CA 1.506 2.361 0 CA-C-N 121.024 1.738 . . . . 0.0 110.275 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.21 -56.76 17.87 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.924 -1.11 . . . . 0.0 112.826 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.7 m -57.03 -39.01 74.0 Favored 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 176.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.43 -48.24 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 C-N-CA 124.986 1.315 . . . . 0.0 112.084 175.51 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.491 ' HG2' HD12 ' A' ' 133' ' ' LEU . 11.6 tpp -68.64 -39.35 80.79 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 178.988 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.6 p -76.72 -35.78 57.61 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 117.547 -1.216 . . . . 0.0 111.026 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 72.45 2.67 4.43 Favored 'General case' 0 CA--C 1.581 2.157 0 CA-C-N 120.705 1.593 . . . . 0.0 114.422 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -105.44 100.58 10.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.207 -1.558 . . . . 0.0 107.241 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -78.37 58.2 2.08 Favored 'General case' 0 N--CA 1.501 2.079 0 N-CA-C 114.976 1.472 . . . . 0.0 114.976 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.5 m 168.16 89.77 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 103.249 -2.871 . . . . 0.0 103.249 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -134.62 -79.19 0.45 Allowed 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -177.099 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.32 162.18 39.13 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-N 120.698 1.59 . . . . 0.0 114.187 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 59.52 169.36 0.07 Allowed 'General case' 0 CA--C 1.583 2.218 0 N-CA-C 118.565 2.802 . . . . 0.0 118.565 176.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.4 t -171.6 100.39 0.19 Allowed 'General case' 0 N--CA 1.499 1.979 1 N-CA-C 99.691 -4.188 . . . . 0.0 99.691 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.27 172.5 0.21 Allowed 'General case' 0 N--CA 1.513 2.687 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -171.214 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 71.94 -50.85 0.7 Allowed 'General case' 0 N--CA 1.527 3.414 0 O-C-N 118.107 -2.871 . . . . 0.0 112.131 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -51.53 -38.99 56.79 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 126.957 2.103 . . . . 0.0 112.022 175.044 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.8 tt -57.71 -43.58 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.375 0 CA-C-N 122.119 2.236 . . . . 0.0 111.532 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.524 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 15.6 mt -72.43 -44.64 62.14 Favored 'General case' 0 CA--C 1.563 1.461 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -67.79 -41.29 83.43 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-O 117.794 -1.098 . . . . 0.0 112.996 176.285 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.82 -43.85 74.73 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 121.088 1.767 . . . . 0.0 112.432 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.448 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.2 t80 -67.31 -46.16 74.37 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 121.19 1.814 . . . . 0.0 111.71 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . 0.25 8.6 tptt -64.49 -32.27 73.83 Favored 'General case' 0 CA--C 1.573 1.855 0 CA-C-O 116.987 -1.482 . . . . 0.0 112.572 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.0 mt -77.25 -19.91 55.93 Favored 'General case' 0 CA--C 1.592 2.571 0 CA-C-N 122.25 2.296 . . . . 0.0 111.287 171.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.7 -45.77 60.81 Favored 'General case' 0 CA--C 1.571 1.781 0 CA-C-N 121.218 1.826 . . . . 0.0 112.633 173.607 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -80.95 67.7 6.95 Favored 'General case' 0 CA--C 1.592 2.569 0 CA-C-N 119.338 0.972 . . . . 0.0 113.161 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -43.46 -21.61 0.03 OUTLIER 'General case' 0 N--CA 1.519 2.98 0 N-CA-C 117.193 2.294 . . . . 0.0 117.193 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -85.98 -2.83 58.67 Favored 'General case' 0 CA--C 1.585 2.324 0 CA-C-N 120.804 1.638 . . . . 0.0 112.215 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 69.87 -0.48 2.69 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 117.904 2.557 . . . . 0.0 117.904 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 27.6 p -70.14 -40.08 75.01 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 125.774 1.629 . . . . 0.0 112.481 178.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 88.26 57.6 1.87 Allowed Glycine 0 CA--C 1.538 1.478 0 N-CA-C 116.664 1.426 . . . . 0.0 116.664 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -148.17 109.87 4.46 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.2 mp -101.47 124.81 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.625 0 CA-C-N 121.063 1.756 . . . . 0.0 106.533 176.143 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 62.4 p -104.44 166.64 10.26 Favored 'General case' 0 CA--C 1.587 2.395 0 CA-C-N 113.274 -1.785 . . . . 0.0 107.704 174.648 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -54.45 -35.31 62.87 Favored 'General case' 0 N--CA 1.511 2.613 0 O-C-N 119.947 -1.721 . . . . 0.0 115.136 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -62.52 -42.03 99.24 Favored 'General case' 0 CA--C 1.583 2.231 0 O-C-N 120.951 -1.093 . . . . 0.0 111.832 177.112 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -35.66 81.75 Favored 'General case' 0 CA--C 1.579 2.061 0 O-C-N 120.609 -1.307 . . . . 0.0 109.565 174.792 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.19 -42.64 69.95 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 120.77 1.623 . . . . 0.0 110.272 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -57.27 -49.76 75.03 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-N 119.325 0.966 . . . . 0.0 111.114 174.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -52.97 -51.43 61.55 Favored 'General case' 0 N--CA 1.507 2.409 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 4.0 t -73.26 -34.35 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 CA-C-O 117.881 -1.057 . . . . 0.0 112.29 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.17 83.18 Favored 'General case' 0 CA--C 1.572 1.815 0 CA-C-N 121.09 1.768 . . . . 0.0 112.292 173.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -70.68 -46.28 63.47 Favored 'General case' 0 CA--C 1.574 1.875 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -74.04 -19.99 60.45 Favored 'General case' 0 CA--C 1.57 1.722 0 N-CA-C 119.103 3.001 . . . . 0.0 119.103 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.491 HD12 ' HG2' ' A' ' 93' ' ' MET . 12.3 mt -68.99 -73.82 0.14 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.656 1.571 . . . . 0.0 113.244 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -170.71 -45.52 0.03 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 117.38 1.712 . . . . 0.0 117.38 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -132.96 99.24 4.52 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 119.23 1.515 . . . . 0.0 107.775 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -64.48 146.75 54.07 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 117.104 2.261 . . . . 0.0 117.104 -177.485 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.406 HD23 ' HG3' ' A' ' 141' ' ' GLU . 6.5 mp -105.73 178.77 4.46 Favored 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 124.799 1.24 . . . . 0.0 112.873 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 15.0 t -97.83 158.45 15.51 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.362 -0.836 . . . . 0.0 110.008 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.22 -46.62 54.79 Favored 'General case' 0 N--CA 1.512 2.668 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.03 -46.3 89.78 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 124.839 1.256 . . . . 0.0 114.118 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.406 ' HG3' HD23 ' A' ' 137' ' ' LEU 0.261 13.5 tp10 -60.21 -48.64 80.87 Favored 'General case' 0 CA--C 1.585 2.294 0 C-N-CA 124.836 1.254 . . . . 0.0 111.564 176.865 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 16.0 mt -56.29 -36.15 68.32 Favored 'General case' 0 CA--C 1.583 2.233 0 O-C-N 120.104 -1.623 . . . . 0.0 111.082 172.231 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.79 -36.85 81.17 Favored 'General case' 0 C--N 1.372 1.565 0 CA-C-O 117.796 -1.097 . . . . 0.0 111.003 178.172 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -59.66 -40.2 86.98 Favored 'General case' 0 CA--C 1.587 2.401 0 CA-C-N 120.438 1.472 . . . . 0.0 109.748 172.098 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -41.48 91.25 Favored 'General case' 0 CA--C 1.588 2.438 0 O-C-N 121.136 -0.977 . . . . 0.0 111.419 173.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 8.4 mm -60.26 -53.56 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 C-N-CA 124.943 1.297 . . . . 0.0 109.644 173.004 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -53.97 -48.05 70.73 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 117.477 -1.249 . . . . 0.0 111.97 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -59.84 -38.98 83.62 Favored 'General case' 0 N--CA 1.514 2.757 0 CA-C-N 121.175 1.807 . . . . 0.0 113.808 174.849 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.86 -26.85 54.72 Favored 'General case' 0 CA--C 1.573 1.86 0 N-CA-C 118.97 2.952 . . . . 0.0 118.97 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.261 34.4 t70 -97.19 27.05 4.33 Favored 'General case' 0 CA--C 1.583 2.243 0 N-CA-C 117.963 2.579 . . . . 0.0 117.963 -177.524 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -27.13 59.87 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 118.988 2.959 . . . . 0.0 118.988 -176.798 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -123.25 44.81 2.58 Favored 'General case' 0 CA--C 1.588 2.412 0 C-N-CA 125.756 1.622 . . . . 0.0 107.756 176.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -143.32 -153.3 5.84 Favored Glycine 0 CA--C 1.574 3.741 0 CA-C-N 121.842 2.11 . . . . 0.0 113.989 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -128.88 24.45 5.67 Favored 'General case' 0 CA--C 1.602 2.945 0 O-C-N 120.622 -1.516 . . . . 0.0 114.031 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 107.17 17.64 11.34 Favored Glycine 0 CA--C 1.569 3.422 0 O-C-N 117.957 -2.964 . . . . 0.0 115.136 -176.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -160.06 151.33 19.49 Favored 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 127.2 2.2 . . . . 0.0 106.738 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 4.3 t -99.75 116.24 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 119.35 -2.094 . . . . 0.0 107.617 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 6.1 p -101.35 -179.97 4.19 Favored 'General case' 0 CA--C 1.571 1.787 0 CA-C-O 124.55 2.119 . . . . 0.0 111.713 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -48.19 13.17 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 112.78 -2.009 . . . . 0.0 113.772 175.765 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -57.24 -43.62 83.11 Favored 'General case' 0 CA--C 1.568 1.639 0 O-C-N 119.796 -1.815 . . . . 0.0 114.255 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.256 15.8 mt-10 -75.79 -19.92 58.61 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 120.279 1.4 . . . . 0.0 113.583 175.207 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.524 ' CE1' ' HA ' ' A' ' 107' ' ' LEU . 23.7 t80 -73.08 -48.23 37.65 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 125.419 1.488 . . . . 0.0 111.975 173.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.07 -20.94 44.02 Favored 'General case' 0 CA--C 1.572 1.821 0 C-N-CA 125.504 1.522 . . . . 0.0 114.072 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -19.99 0.62 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 176.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.501 2.097 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 176.893 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 . . . . . 0 N--CA 1.498 1.95 1 N-CA-C 122.365 4.209 . . . . 0.0 122.365 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -42.81 -50.35 5.98 Favored Glycine 0 N--CA 1.509 3.507 0 CA-C-N 122.154 2.252 . . . . 0.0 117.41 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -61.96 -48.1 81.92 Favored 'General case' 0 CA--C 1.575 1.91 0 C-N-CA 124.724 1.21 . . . . 0.0 113.181 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -56.16 -42.87 77.72 Favored 'General case' 0 N--CA 1.503 2.177 0 C-N-CA 124.83 1.252 . . . . 0.0 111.335 174.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.67 -53.85 52.38 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.72 1.208 . . . . 0.0 110.808 175.672 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.5 m -55.99 -41.39 74.75 Favored 'General case' 0 N--CA 1.506 2.341 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -45.35 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.136 0 C-N-CA 125.101 1.36 . . . . 0.0 112.503 174.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.476 ' SD ' ' O ' ' A' ' 135' ' ' GLU . 32.1 tpp -72.44 -36.6 68.58 Favored 'General case' 0 CA--C 1.563 1.471 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.1 p -79.35 -60.31 2.42 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 115.129 -2.367 . . . . 0.0 104.924 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 57.83 -37.43 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 117.846 2.536 . . . . 0.0 117.846 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -165.91 144.28 5.84 Favored 'General case' 0 CA--C 1.569 1.699 0 C-N-CA 126.07 1.748 . . . . 0.0 113.093 -176.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 65.5 mtm 63.11 -46.01 0.21 Allowed 'General case' 0 N--CA 1.507 2.398 0 N-CA-C 120.704 3.594 . . . . 0.0 120.704 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.8 t -64.49 -71.67 0.17 Allowed 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 121.182 1.81 . . . . 0.0 114.635 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -148.17 166.22 28.55 Favored 'General case' 0 CA--C 1.576 1.943 0 CA-C-O 122.239 1.018 . . . . 0.0 111.105 177.345 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.01 68.05 1.2 Allowed 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -175.79 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.85 159.27 42.83 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 119.435 -2.04 . . . . 0.0 115.399 -179.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 36.3 m -149.75 120.37 7.49 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 99.53 152.93 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.625 0 C-N-CA 128.806 2.842 . . . . 0.0 109.047 -176.367 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 68.19 -59.12 0.44 Allowed 'General case' 0 N--CA 1.534 3.755 0 CA-C-N 124.039 3.109 . . . . 0.0 110.678 -175.143 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -30.27 34.27 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 126.91 2.084 . . . . 0.0 113.887 174.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.1 tt -58.95 -43.76 89.45 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.731 0 CA-C-N 120.662 1.574 . . . . 0.0 110.863 176.216 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.452 HD13 ' CZ ' ' A' ' 162' ' ' PHE . 1.2 mm? -70.67 -45.07 65.74 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 118.549 -0.739 . . . . 0.0 112.565 177.09 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -65.63 -49.81 67.31 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 117.393 -1.289 . . . . 0.0 112.255 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.72 99.55 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 121.058 1.754 . . . . 0.0 114.38 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.512 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 18.3 t80 -71.32 -42.06 69.09 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 121.156 1.798 . . . . 0.0 112.548 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -68.06 -34.18 75.95 Favored 'General case' 0 CA--C 1.581 2.168 0 CA-C-O 116.485 -1.722 . . . . 0.0 111.622 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.0 pp -74.94 -30.68 61.3 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 122.908 2.595 . . . . 0.0 112.56 173.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.553 ' CE1' HG11 ' A' ' 129' ' ' VAL . 1.8 m-30 -55.81 -47.4 77.23 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 119.419 1.008 . . . . 0.0 112.761 173.42 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -79.26 79.17 5.71 Favored 'General case' 0 CA--C 1.592 2.595 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.925 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.14 -21.01 0.02 OUTLIER 'General case' 0 N--CA 1.517 2.925 0 N-CA-C 117.54 2.422 . . . . 0.0 117.54 175.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -92.06 -4.77 53.98 Favored 'General case' 0 CA--C 1.59 2.492 0 CA-C-N 120.654 1.57 . . . . 0.0 112.635 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 67.92 2.78 3.25 Favored 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' THR . . . . . 0.4 ' CB ' ' HZ1' ' A' ' 120' ' ' LYS . 64.6 p -72.14 -52.76 15.16 Favored 'General case' 0 CA--C 1.566 1.571 0 C-N-CA 126.828 2.051 . . . . 0.0 110.068 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 107.32 57.09 0.6 Allowed Glycine 0 CA--C 1.539 1.574 0 N-CA-C 118.884 2.314 . . . . 0.0 118.884 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' LYS . . . . . 0.4 ' HZ1' ' CB ' ' A' ' 118' ' ' THR . 0.1 OUTLIER -137.71 109.97 7.35 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 120.099 1.95 . . . . 0.0 109.842 174.53 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.35 119.91 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.258 -0.901 . . . . 0.0 109.166 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.4 t -100.3 170.48 8.4 Favored 'General case' 0 CA--C 1.59 2.484 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 172.604 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -44.0 -38.0 3.27 Favored 'General case' 0 N--CA 1.513 2.707 0 N-CA-C 117.836 2.532 . . . . 0.0 117.836 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -56.93 -46.83 81.77 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.304 5.8 t-20 -66.35 -42.03 88.66 Favored 'General case' 0 N--CA 1.51 2.532 0 CA-C-O 114.794 -2.527 . . . . 0.0 108.575 177.036 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.419 ' HA ' HG13 ' A' ' 129' ' ' VAL . 4.8 mp -51.56 -38.68 55.47 Favored 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 123.279 2.763 . . . . 0.0 113.329 174.067 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.345 12.1 ptmt -72.84 -36.9 67.55 Favored 'General case' 0 CA--C 1.589 2.457 0 CA-C-O 115.932 -1.985 . . . . 0.0 110.794 176.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -61.43 -44.88 96.35 Favored 'General case' 0 N--CA 1.517 2.912 0 CA-C-N 124.046 3.112 . . . . 0.0 111.876 173.894 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.553 HG11 ' CE1' ' A' ' 113' ' ' PHE . 0.2 OUTLIER -59.73 -44.29 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 123.558 0.743 . . . . 0.0 111.325 177.374 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.15 75.85 Favored 'General case' 0 CA--C 1.563 1.448 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -32.26 63.84 Favored 'General case' 0 CA--C 1.585 2.308 0 CA-C-N 120.355 1.434 . . . . 0.0 113.993 174.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -80.11 -34.38 37.91 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 119.173 3.027 . . . . 0.0 119.173 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.408 HD12 ' HG2' ' A' ' 93' ' ' MET . 15.1 mt -61.68 -67.56 0.4 Allowed 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -170.99 -39.37 0.03 OUTLIER Glycine 0 N--CA 1.489 2.232 0 N-CA-C 119.185 2.434 . . . . 0.0 119.185 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.476 ' O ' ' SD ' ' A' ' 93' ' ' MET . 30.5 tt0 -147.78 98.68 3.0 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-N 120.593 2.197 . . . . 0.0 110.639 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -67.18 131.36 45.64 Favored 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.83 -115.13 0.08 Allowed 'General case' 0 CA--C 1.574 1.883 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.5 t -154.85 165.52 36.38 Favored 'General case' 0 CA--C 1.559 1.291 0 CA-C-O 124.05 1.881 . . . . 0.0 108.302 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -40.56 -51.07 2.98 Favored 'General case' 0 CA--C 1.569 1.679 0 N-CA-C 117.052 2.242 . . . . 0.0 117.052 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.4 -42.54 98.78 Favored 'General case' 0 CA--C 1.569 1.708 0 C-N-CA 125.258 1.423 . . . . 0.0 113.317 178.155 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.6 -51.76 68.43 Favored 'General case' 0 N--CA 1.505 2.295 0 CA-C-N 119.05 0.841 . . . . 0.0 110.85 175.137 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.83 -37.23 73.44 Favored 'General case' 0 CA--C 1.568 1.642 0 O-C-N 121.143 -0.973 . . . . 0.0 113.231 175.462 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.4 tp-100 -71.28 -37.35 71.89 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 118.001 -0.999 . . . . 0.0 111.356 -179.524 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -60.7 -40.63 92.93 Favored 'General case' 0 CA--C 1.585 2.292 0 CA-C-N 119.665 1.12 . . . . 0.0 109.552 173.324 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.5 mmm -62.35 -40.41 96.29 Favored 'General case' 0 CA--C 1.582 2.184 0 O-C-N 121.17 -0.956 . . . . 0.0 111.494 173.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.1 mm -59.23 -55.02 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 C-N-CA 124.455 1.102 . . . . 0.0 109.654 174.159 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -53.4 -42.31 66.84 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -73.19 -27.28 61.54 Favored 'General case' 0 CA--C 1.595 2.71 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 175.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.06 -44.38 20.16 Favored 'General case' 0 CA--C 1.58 2.107 0 C-N-CA 126.299 1.84 . . . . 0.0 115.51 175.466 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -67.95 60.83 0.07 Allowed 'General case' 0 CA--C 1.594 2.66 0 C-N-CA 127.515 2.326 . . . . 0.0 114.102 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -25.82 63.82 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 117.778 -3.076 . . . . 0.0 118.359 -176.622 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.47 -35.29 65.67 Favored 'General case' 0 CA--C 1.59 2.497 0 CA-C-N 119.424 1.011 . . . . 0.0 110.531 173.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 106.75 3.66 36.9 Favored Glycine 0 N--CA 1.495 2.591 1 N-CA-C 123.775 4.27 . . . . 0.0 123.775 176.397 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -89.43 -26.26 21.08 Favored 'General case' 0 N--CA 1.504 2.261 0 CA-C-N 122.347 3.074 . . . . 0.0 114.966 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 127.47 28.28 0.91 Allowed Glycine 0 CA--C 1.551 2.314 0 N-CA-C 117.091 1.596 . . . . 0.0 117.091 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -160.04 149.7 18.0 Favored 'General case' 0 CA--C 1.568 1.645 0 CA-C-N 119.154 1.477 . . . . 0.0 111.228 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 6.6 t -99.78 122.89 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 -177.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 62.8 m -99.89 171.04 8.11 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.305 0.0 OUTLIER -55.85 -45.37 78.48 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 116.023 -1.942 . . . . 0.0 113.357 179.261 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.467 ' HA ' HD11 ' A' ' 163' ' ' LEU . 7.0 mm100 -62.89 -35.64 80.7 Favored 'General case' 0 CA--C 1.579 2.08 0 CA-C-N 123.211 2.732 . . . . 0.0 112.666 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.22 -22.79 59.21 Favored 'General case' 0 N--CA 1.506 2.361 0 CA-C-N 120.966 1.712 . . . . 0.0 112.458 174.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.2 OUTLIER -69.9 -59.06 3.16 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.431 1.493 . . . . 0.0 112.83 176.671 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.467 HD11 ' HA ' ' A' ' 160' ' ' GLN . 0.4 OUTLIER -80.08 -40.33 27.83 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 117.928 -1.034 . . . . 0.0 112.864 -179.03 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -80.1 -19.89 46.34 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 117.258 2.318 . . . . 0.0 117.258 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 N--CA 1.514 2.752 0 C-N-CA 127.635 2.374 . . . . 0.0 117.081 -177.808 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 N--CA 1.515 2.805 0 N-CA-C 119.251 3.056 . . . . 0.0 119.251 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.04 -39.73 26.85 Favored Glycine 0 N--CA 1.495 2.628 0 C-N-CA 125.331 1.443 . . . . 0.0 115.645 177.412 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -56.37 -47.05 79.67 Favored 'General case' 0 CA--C 1.577 1.998 0 C-N-CA 125.101 1.361 . . . . 0.0 112.332 173.835 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -63.94 -45.82 87.46 Favored 'General case' 0 CA--C 1.583 2.227 0 CA-C-N 119.439 1.018 . . . . 0.0 110.565 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.0 tp -60.33 -51.65 68.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.614 -1.304 . . . . 0.0 111.717 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.639 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 3.8 m -54.62 -38.01 66.3 Favored 'General case' 0 N--CA 1.499 2.022 0 C-N-CA 124.067 0.947 . . . . 0.0 113.468 176.73 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -49.15 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 C-N-CA 124.445 1.098 . . . . 0.0 110.671 175.206 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.442 ' SD ' HD13 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -65.28 -45.96 82.34 Favored 'General case' 0 CA--C 1.582 2.207 0 CA-C-N 118.32 0.509 . . . . 0.0 111.227 173.947 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.639 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 66.8 p -51.21 -50.92 58.16 Favored 'General case' 0 N--CA 1.511 2.622 0 C-N-CA 124.944 1.298 . . . . 0.0 112.856 176.097 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -62.36 -31.61 72.28 Favored 'General case' 0 CA--C 1.57 1.734 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -76.78 -50.12 14.29 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 120.319 1.418 . . . . 0.0 112.939 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.9 ttt -98.19 -111.92 0.16 Allowed 'General case' 0 CA--C 1.57 1.74 0 CA-C-N 120.228 1.376 . . . . 0.0 107.436 177.752 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 t -158.77 62.54 0.42 Allowed 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 121.356 1.889 . . . . 0.0 110.2 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -101.72 162.54 12.83 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 122.295 1.045 . . . . 0.0 112.127 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -111.67 -170.19 1.6 Allowed 'General case' 0 CA--C 1.58 2.11 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 -177.863 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 72.83 145.79 0.08 Allowed 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.6 t -171.41 129.4 0.7 Allowed 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 125.664 1.586 . . . . 0.0 106.978 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.32 151.99 0.12 Allowed 'General case' 0 CA--C 1.597 2.769 0 C-N-CA 125.975 1.71 . . . . 0.0 110.858 -176.124 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 66.87 -50.65 0.47 Allowed 'General case' 0 N--CA 1.539 3.988 0 CA-C-N 124.118 3.145 . . . . 0.0 111.311 -173.638 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -54.36 -28.6 44.14 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.436 2.295 . . . . 0.0 113.139 173.162 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.6 tt -54.43 -40.8 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 CA-C-N 121.755 2.07 . . . . 0.0 111.029 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.72 -44.52 73.69 Favored 'General case' 0 CA--C 1.559 1.295 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -68.68 -48.45 63.9 Favored 'General case' 0 CA--C 1.563 1.466 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.723 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.78 95.12 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-O 117.11 -1.424 . . . . 0.0 113.825 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.452 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 9.8 t80 -68.11 -44.26 76.58 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 121.35 1.886 . . . . 0.0 111.741 177.729 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -65.35 -33.05 75.05 Favored 'General case' 0 CA--C 1.582 2.18 0 CA-C-N 121.265 1.848 . . . . 0.0 111.998 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.4 pp -74.95 -32.49 61.74 Favored 'General case' 0 CA--C 1.582 2.192 0 CA-C-N 122.627 2.467 . . . . 0.0 112.089 173.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -47.62 82.92 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 125.329 1.452 . . . . 0.0 112.516 173.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -92.89 74.85 4.85 Favored 'General case' 0 CA--C 1.597 2.772 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -57.34 -24.7 56.81 Favored 'General case' 0 N--CA 1.51 2.574 0 CA-C-N 123.357 2.799 . . . . 0.0 117.043 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -82.31 -6.28 59.14 Favored 'General case' 0 CA--C 1.588 2.408 0 CA-C-N 121.24 1.836 . . . . 0.0 113.61 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 78.56 -9.38 1.51 Allowed 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 120.902 3.667 . . . . 0.0 120.902 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.7 p -52.06 -40.4 61.1 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 125.798 1.639 . . . . 0.0 113.84 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.86 73.4 1.28 Allowed Glycine 0 CA--C 1.533 1.183 0 N-CA-C 115.971 1.148 . . . . 0.0 115.971 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.45 109.89 2.43 Favored 'General case' 0 CA--C 1.569 1.7 0 C-N-CA 123.85 0.86 . . . . 0.0 111.981 178.021 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.7 mp -112.29 123.37 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 175.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.3 p -101.2 172.02 7.25 Favored 'General case' 0 CA--C 1.579 2.094 0 CA-C-N 113.201 -1.818 . . . . 0.0 108.02 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 142' ' ' LEU . 2.9 t80 -53.99 -37.35 63.92 Favored 'General case' 0 CA--C 1.588 2.434 0 N-CA-C 116.018 1.859 . . . . 0.0 116.018 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -42.83 91.07 Favored 'General case' 0 CA--C 1.586 2.365 0 O-C-N 120.038 -1.664 . . . . 0.0 112.952 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.26 2.1 t-20 -65.77 -32.33 73.8 Favored 'General case' 0 N--CA 1.514 2.763 0 O-C-N 120.593 -1.317 . . . . 0.0 109.026 175.315 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 87.6 mt -55.88 -44.73 78.43 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-N 121.388 1.904 . . . . 0.0 110.332 171.943 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -52.04 -51.53 56.88 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 125.272 1.429 . . . . 0.0 110.808 174.565 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -59.95 -43.37 95.06 Favored 'General case' 0 N--CA 1.515 2.781 0 C-N-CA 118.433 -1.307 . . . . 0.0 113.638 176.448 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 47.7 t -70.03 -34.05 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 CA-C-O 118.775 -0.631 . . . . 0.0 111.562 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.54 -52.07 66.17 Favored 'General case' 0 CA--C 1.563 1.458 0 CA-C-N 119.796 1.18 . . . . 0.0 111.369 175.413 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -68.51 -35.39 77.43 Favored 'General case' 0 CA--C 1.581 2.16 0 CA-C-N 119.648 1.113 . . . . 0.0 113.958 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -72.73 -29.35 63.28 Favored 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 116.266 1.95 . . . . 0.0 116.266 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 13.6 mt -67.47 -73.23 0.14 Allowed 'General case' 0 CA--C 1.563 1.47 0 C-N-CA 125.325 1.45 . . . . 0.0 113.17 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -153.18 -46.16 0.02 OUTLIER Glycine 0 N--CA 1.488 2.117 0 CA-C-O 118.693 -1.059 . . . . 0.0 115.061 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -147.65 133.25 18.79 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 119.275 1.538 . . . . 0.0 109.007 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -81.82 98.48 8.5 Favored 'General case' 0 CA--C 1.561 1.378 0 O-C-N 121.069 -1.019 . . . . 0.0 110.114 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.495 HD23 ' HG2' ' A' ' 141' ' ' GLU . 8.7 mp -70.33 177.63 3.26 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 121.509 0.671 . . . . 0.0 112.545 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.4 t -80.45 156.95 26.36 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 123.074 1.416 . . . . 0.0 112.681 -176.122 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -41.7 -50.4 4.22 Favored 'General case' 0 CA--C 1.572 1.817 0 N-CA-C 117.766 2.506 . . . . 0.0 117.766 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -62.37 -45.35 93.54 Favored 'General case' 0 CA--C 1.568 1.649 0 C-N-CA 125.638 1.575 . . . . 0.0 113.135 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 141' ' ' GLU . . . . . 0.495 ' HG2' HD23 ' A' ' 137' ' ' LEU . 6.2 tp10 -58.6 -52.3 66.24 Favored 'General case' 0 CA--C 1.583 2.215 0 C-N-CA 124.383 1.073 . . . . 0.0 111.343 175.345 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.4 ' HB2' ' CE1' ' A' ' 123' ' ' PHE . 18.1 mt -57.85 -44.6 86.64 Favored 'General case' 0 CA--C 1.583 2.244 0 O-C-N 120.722 -1.236 . . . . 0.0 112.309 175.163 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -64.05 -37.36 87.13 Favored 'General case' 0 CA--C 1.572 1.803 0 O-C-N 121.238 -0.914 . . . . 0.0 111.956 177.454 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.13 -39.51 82.56 Favored 'General case' 0 CA--C 1.585 2.299 0 CA-C-N 120.294 1.407 . . . . 0.0 110.391 173.328 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.4 mmt -61.68 -38.4 87.67 Favored 'General case' 0 CA--C 1.584 2.261 0 O-C-N 121.335 -0.853 . . . . 0.0 111.245 173.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 7.1 mm -61.75 -53.32 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.684 -1.26 . . . . 0.0 109.883 173.325 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -51.93 -38.76 57.6 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 119.597 1.089 . . . . 0.0 113.379 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.63 -54.86 37.27 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 123.602 1.668 . . . . 0.0 114.654 170.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.2 97.27 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 118.021 2.6 . . . . 0.0 118.021 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.291 35.6 t70 -70.51 37.31 0.05 OUTLIER 'General case' 0 CA--C 1.595 2.676 0 C-N-CA 126.857 2.063 . . . . 0.0 116.525 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.16 -40.71 11.52 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 120.065 3.357 . . . . 0.0 120.065 -175.096 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -131.12 52.4 2.06 Favored 'General case' 0 CA--C 1.579 2.074 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -131.9 -153.29 7.38 Favored Glycine 0 CA--C 1.571 3.538 0 O-C-N 120.147 -1.596 . . . . 0.0 113.254 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -137.75 43.74 2.24 Favored 'General case' 0 CA--C 1.605 3.063 0 O-C-N 120.583 -1.539 . . . . 0.0 108.464 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 95.05 19.83 29.83 Favored Glycine 0 CA--C 1.567 3.332 0 O-C-N 117.616 -3.178 . . . . 0.0 114.755 -175.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -160.04 150.16 18.4 Favored 'General case' 0 CA--C 1.572 1.794 0 C-N-CA 126.178 1.791 . . . . 0.0 108.15 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.6 t -99.76 119.23 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 119.989 -1.694 . . . . 0.0 108.384 -174.603 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 16.6 m -100.01 173.05 6.84 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -51.79 -49.35 62.88 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -36.59 83.97 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 120.73 1.605 . . . . 0.0 113.868 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -75.27 -24.06 57.51 Favored 'General case' 0 CA--C 1.581 2.142 0 CA-C-N 121.725 2.057 . . . . 0.0 112.939 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -62.91 -59.33 4.98 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.141 1.776 . . . . 0.0 109.561 174.179 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.03 -60.05 2.48 Favored 'General case' 0 CA--C 1.579 2.061 0 CA-C-O 118.152 -0.928 . . . . 0.0 112.422 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -80.19 -23.82 40.74 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 121.095 3.739 . . . . 0.0 121.095 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.2 tp . . . . . 0 N--CA 1.518 2.949 0 CA-C-N 123.348 2.795 . . . . 0.0 117.251 -176.401 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 N--CA 1.517 2.902 0 N-CA-C 117.337 2.347 . . . . 0.0 117.337 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.02 -34.67 31.49 Favored Glycine 0 N--CA 1.496 2.647 0 O-C-N 121.251 -0.906 . . . . 0.0 115.332 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.27 -51.75 68.48 Favored 'General case' 0 CA--C 1.568 1.637 0 C-N-CA 125.642 1.577 . . . . 0.0 110.645 175.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.38 -47.25 82.16 Favored 'General case' 0 N--CA 1.5 2.068 0 CA-C-N 120.487 1.494 . . . . 0.0 110.299 173.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.0 tp -56.01 -53.83 52.17 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.59 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 7.3 t -61.7 -36.24 80.34 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 117.698 -1.144 . . . . 0.0 112.846 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.4 t -58.44 -48.27 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 CA-C-N 120.401 1.455 . . . . 0.0 111.97 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -53.95 28.8 Favored 'General case' 0 CA--C 1.581 2.14 0 CA-C-N 118.612 0.642 . . . . 0.0 111.539 176.287 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.59 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 38.4 p -52.64 -55.27 23.67 Favored 'General case' 0 N--CA 1.51 2.55 0 C-N-CA 126.104 1.762 . . . . 0.0 113.737 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -61.98 -39.54 92.51 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.52 -40.7 85.1 Favored 'General case' 0 CA--C 1.574 1.899 0 CA-C-N 119.599 1.09 . . . . 0.0 112.925 176.817 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.9 ttt -75.99 -43.33 44.96 Favored 'General case' 0 CA--C 1.579 2.077 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 176.371 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.3 t 106.41 93.63 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 128.061 2.545 . . . . 0.0 108.979 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.23 -92.81 0.46 Allowed 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 118.257 -0.878 . . . . 0.0 109.061 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.87 -58.78 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 CA-C-N 121.448 1.931 . . . . 0.0 113.563 179.105 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 64.22 106.21 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.9 t -167.05 -175.7 3.1 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.331 -1.481 . . . . 0.0 110.959 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.85 164.5 21.86 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 119.752 -1.843 . . . . 0.0 111.19 176.316 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 68.84 -42.02 0.48 Allowed 'General case' 0 N--CA 1.529 3.499 0 CA-C-N 123.116 2.689 . . . . 0.0 111.127 -171.769 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -54.82 -36.98 65.57 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.163 1.785 . . . . 0.0 112.296 175.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.4 tt -59.64 -40.77 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.49 0 CA-C-N 121.434 1.925 . . . . 0.0 111.105 174.042 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.46 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 3.3 mp -69.53 -48.57 60.04 Favored 'General case' 0 CA--C 1.556 1.211 0 CA-C-O 118.626 -0.702 . . . . 0.0 112.651 178.283 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -64.99 -41.46 95.38 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-O 117.468 -1.253 . . . . 0.0 111.648 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.8 85.17 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 121.189 1.813 . . . . 0.0 113.961 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.497 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.4 t80 -67.17 -41.57 85.74 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 121.595 1.998 . . . . 0.0 111.477 176.425 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -67.44 -32.19 72.89 Favored 'General case' 0 CA--C 1.58 2.121 0 CA-C-N 120.078 1.308 . . . . 0.0 112.216 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp -77.12 -26.29 53.07 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-N 122.155 2.252 . . . . 0.0 111.108 171.817 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -51.95 67.01 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 119.903 1.228 . . . . 0.0 109.387 172.598 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -68.83 73.28 0.26 Allowed 'General case' 0 CA--C 1.586 2.351 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.73 -15.05 0.08 Allowed 'General case' 0 CA--C 1.606 3.121 0 O-C-N 118.68 -2.513 . . . . 0.0 115.523 173.529 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 50.9 p30 -88.49 -16.41 32.8 Favored 'General case' 0 CA--C 1.581 2.137 0 C-N-CA 126.089 1.755 . . . . 0.0 112.804 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 78.22 -1.02 2.56 Favored 'General case' 0 CA--C 1.586 2.357 0 C-N-CA 127.642 2.377 . . . . 0.0 115.239 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 33.8 p -81.57 -14.6 56.62 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 118.769 -2.457 . . . . 0.0 115.834 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.09 51.54 22.75 Favored Glycine 0 CA--C 1.539 1.558 0 CA-C-N 121.365 1.893 . . . . 0.0 117.814 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -145.53 109.89 4.97 Favored 'General case' 0 CA--C 1.56 1.337 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.4 mp -109.97 126.2 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 CA-C-O 123.558 1.647 . . . . 0.0 107.742 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.4 p -104.56 176.89 5.01 Favored 'General case' 0 CA--C 1.578 2.052 0 CA-C-N 112.142 -2.299 . . . . 0.0 107.53 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 142' ' ' LEU . 67.3 t80 -56.54 -35.74 68.46 Favored 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -64.88 -39.28 93.3 Favored 'General case' 0 CA--C 1.579 2.078 0 O-C-N 120.543 -1.348 . . . . 0.0 113.267 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.326 24.9 t-20 -73.59 -25.36 60.31 Favored 'General case' 0 CA--C 1.6 2.871 0 CA-C-N 120.194 1.361 . . . . 0.0 109.276 175.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 41.8 mt -57.28 -44.71 84.25 Favored 'General case' 0 N--CA 1.509 2.51 0 CA-C-N 122.109 2.231 . . . . 0.0 109.271 168.262 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -55.56 -44.24 76.65 Favored 'General case' 0 CA--C 1.568 1.662 0 CA-C-O 117.567 -1.206 . . . . 0.0 110.505 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.42 -54.94 29.61 Favored 'General case' 0 N--CA 1.504 2.229 0 CA-C-N 119.864 1.211 . . . . 0.0 111.649 174.069 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . 0.267 0.4 OUTLIER -61.82 -40.98 88.9 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.048 0 CA-C-N 119.749 1.159 . . . . 0.0 111.569 177.898 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.97 -49.75 70.62 Favored 'General case' 0 CA--C 1.581 2.159 0 CA-C-N 120.043 1.292 . . . . 0.0 112.16 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -76.03 -40.8 52.65 Favored 'General case' 0 CA--C 1.578 2.025 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.27 -40.01 84.73 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 115.972 1.842 . . . . 0.0 115.972 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -47.43 74.03 Favored 'General case' 0 CA--C 1.569 1.699 0 C-N-CA 124.766 1.226 . . . . 0.0 111.547 175.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 126.38 -42.78 1.43 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 117.895 1.918 . . . . 0.0 117.895 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -112.07 122.5 47.92 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 118.738 1.269 . . . . 0.0 109.4 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -139.78 171.51 14.12 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 116.723 2.119 . . . . 0.0 116.723 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -88.13 -125.96 0.05 Allowed 'General case' 0 CA--C 1.575 1.925 0 CA-C-N 114.619 -1.173 . . . . 0.0 112.085 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.7 t -141.26 168.1 20.58 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 123.766 1.746 . . . . 0.0 109.278 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -41.6 -51.67 3.93 Favored 'General case' 0 CA--C 1.57 1.741 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.73 -43.74 98.01 Favored 'General case' 0 CA--C 1.572 1.822 0 C-N-CA 125.588 1.555 . . . . 0.0 112.675 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.72 -52.87 63.83 Favored 'General case' 0 N--CA 1.505 2.319 0 C-N-CA 123.518 0.727 . . . . 0.0 110.769 175.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.411 ' HB2' ' CE1' ' A' ' 123' ' ' PHE . 14.2 mt -56.63 -36.15 69.14 Favored 'General case' 0 CA--C 1.573 1.844 0 O-C-N 120.796 -1.19 . . . . 0.0 113.014 175.142 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.257 3.4 tp-100 -71.65 -35.89 70.53 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-O 117.751 -1.118 . . . . 0.0 110.621 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -59.13 -40.94 86.99 Favored 'General case' 0 CA--C 1.584 2.275 0 CA-C-N 120.357 1.435 . . . . 0.0 109.536 171.662 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 38.5 mmt -59.7 -38.28 81.16 Favored 'General case' 0 CA--C 1.583 2.24 0 C-N-CA 124.279 1.032 . . . . 0.0 112.421 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 146' ' ' ILE . 4.6 mm -65.99 -60.08 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.662 -1.274 . . . . 0.0 110.672 173.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.82 -33.01 69.9 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -34.39 70.97 Favored 'General case' 0 N--CA 1.511 2.601 0 CA-C-N 121.039 1.745 . . . . 0.0 112.366 172.923 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.75 -37.49 41.08 Favored 'General case' 0 CA--C 1.585 2.31 0 N-CA-C 118.079 2.622 . . . . 0.0 118.079 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.89 20.42 0.0 OUTLIER 'General case' 0 CA--C 1.59 2.507 1 N-CA-C 122.628 4.307 . . . . 0.0 122.628 -177.65 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.87 -50.19 5.76 Favored 'General case' 0 N--CA 1.499 2.014 1 N-CA-C 124.669 5.063 . . . . 0.0 124.669 -169.049 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -117.63 47.77 1.48 Allowed 'General case' 0 CA--C 1.575 1.908 0 CA-C-N 121.342 1.883 . . . . 0.0 107.86 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -131.49 -129.26 3.03 Favored Glycine 0 CA--C 1.556 2.642 0 O-C-N 120.453 -1.404 . . . . 0.0 113.77 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -144.04 30.83 1.28 Allowed 'General case' 0 CA--C 1.591 2.528 0 CA-C-N 119.445 1.622 . . . . 0.0 109.134 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 92.48 29.61 10.84 Favored Glycine 0 N--CA 1.507 3.425 0 CA-C-N 123.219 2.736 . . . . 0.0 114.686 -175.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -160.04 157.93 29.56 Favored 'General case' 0 CA--C 1.581 2.135 0 C-N-CA 127.934 2.493 . . . . 0.0 104.829 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.79 123.89 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 118.837 -2.414 . . . . 0.0 110.901 -174.164 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.3 p -99.94 172.47 7.2 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 123.69 1.709 . . . . 0.0 112.126 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.281 0.0 OUTLIER -54.52 -43.45 71.91 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-O 116.891 -1.528 . . . . 0.0 113.285 178.11 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -34.47 77.96 Favored 'General case' 0 CA--C 1.567 1.627 0 CA-C-N 123.062 2.664 . . . . 0.0 113.046 177.306 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.06 -26.77 60.58 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-N 121.999 2.181 . . . . 0.0 112.326 173.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.0 OUTLIER -65.62 -60.22 3.13 Favored 'General case' 0 CA--C 1.563 1.442 0 CA-C-N 120.576 1.535 . . . . 0.0 110.886 175.913 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' A' ' 163' ' ' LEU . 1.8 pp -80.45 -60.1 2.45 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 177.797 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -80.1 -22.44 42.16 Favored 'General case' 0 N--CA 1.491 1.595 1 N-CA-C 123.256 4.539 . . . . 0.0 123.256 -174.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.252 5.5 mm . . . . . 0 CA--C 1.549 0.909 0 CA-C-N 124.396 3.271 . . . . 0.0 111.43 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 CA--C 1.611 3.324 0 CA-C-O 118.171 -0.919 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -42.31 -41.42 3.95 Favored Glycine 0 C--N 1.378 2.873 0 CA-C-N 122.678 2.49 . . . . 0.0 117.051 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 92' ' ' VAL . 5.5 m-20 -56.5 -53.53 56.37 Favored 'General case' 0 CA--C 1.585 2.3 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.551 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -55.39 -44.88 76.54 Favored 'General case' 0 N--CA 1.507 2.377 0 C-N-CA 124.361 1.065 . . . . 0.0 111.619 171.852 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 94' ' ' THR . 23.0 tp -58.75 -54.44 47.04 Favored 'General case' 0 CA--C 1.566 1.591 0 CA-C-O 116.755 -1.593 . . . . 0.0 111.171 177.274 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.3 t -58.46 -35.9 72.87 Favored 'General case' 0 N--CA 1.509 2.482 0 CA-C-N 121.588 1.994 . . . . 0.0 112.539 177.792 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 88' ' ' ASP . 75.2 t -56.81 -47.14 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 CA-C-N 119.162 0.892 . . . . 0.0 109.861 173.181 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.659 ' CG ' HD23 ' A' ' 133' ' ' LEU . 0.0 OUTLIER -80.07 -31.45 39.37 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 177.246 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.505 HG22 ' HB2' ' A' ' 99' ' ' GLU . 31.4 p -41.86 -44.73 3.46 Favored 'General case' 0 N--CA 1.518 2.93 0 C-N-CA 126.902 2.081 . . . . 0.0 113.185 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -54.96 -24.49 24.21 Favored 'General case' 0 CA--C 1.583 2.223 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.03 -33.49 39.12 Favored 'General case' 0 CA--C 1.579 2.062 0 C-N-CA 124.372 1.069 . . . . 0.0 113.21 176.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 82.8 mtp -128.73 -93.57 0.44 Allowed 'General case' 0 CA--C 1.573 1.833 0 C-N-CA 124.284 1.034 . . . . 0.0 108.215 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.0 t -163.19 -68.55 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 CA-C-N 120.492 1.496 . . . . 0.0 111.106 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLU . . . . . 0.505 ' HB2' HG22 ' A' ' 94' ' ' THR 0.312 25.7 mm-40 59.59 -132.94 0.91 Allowed 'General case' 0 CA--C 1.582 2.205 0 N-CA-C 118.501 2.778 . . . . 0.0 118.501 179.147 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -137.69 -93.5 0.21 Allowed 'General case' 0 N--CA 1.509 2.514 0 CA-C-N 124.253 3.206 . . . . 0.0 117.632 -173.714 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 64.11 78.32 0.29 Allowed 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 126.593 1.957 . . . . 0.0 115.923 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.67 121.34 0.24 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 3.27 -67.43 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.093 0 N-CA-C 120.13 3.382 . . . . 0.0 120.13 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -44.27 -23.17 0.09 Allowed 'General case' 0 CA--C 1.612 3.352 0 CA-C-N 123.004 2.638 . . . . 0.0 115.934 170.873 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -52.92 -37.77 61.19 Favored 'General case' 0 C--N 1.373 1.596 0 C-N-CA 126.877 2.071 . . . . 0.0 112.371 173.91 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.1 tp -59.82 -49.74 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 CA-C-N 122.702 2.501 . . . . 0.0 111.98 178.353 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.432 ' HA ' ' HE1' ' A' ' 162' ' ' PHE . 1.5 mm? -73.36 -48.03 37.44 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -67.72 -42.61 81.66 Favored 'General case' 0 CA--C 1.562 1.421 0 CA-C-O 115.786 -2.054 . . . . 0.0 112.553 176.401 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.57 -41.09 76.31 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 123.472 2.851 . . . . 0.0 113.139 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.552 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 11.9 t80 -69.29 -45.8 68.75 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 122.213 2.279 . . . . 0.0 111.102 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . 0.283 5.1 mmtt -66.01 -31.27 72.08 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-N 121.205 1.82 . . . . 0.0 112.72 -178.262 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 pp -71.64 -30.92 66.29 Favored 'General case' 0 CA--C 1.581 2.16 0 CA-C-N 122.983 2.629 . . . . 0.0 111.524 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.41 ' CZ ' HG21 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -63.02 -47.27 83.8 Favored 'General case' 0 CA--C 1.567 1.614 0 C-N-CA 124.564 1.146 . . . . 0.0 113.072 174.817 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -84.64 63.7 8.08 Favored 'General case' 0 CA--C 1.596 2.748 0 CA-C-N 119.949 1.25 . . . . 0.0 112.166 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -49.96 -19.55 0.73 Allowed 'General case' 0 N--CA 1.519 2.984 0 O-C-N 118.379 -2.7 . . . . 0.0 116.808 177.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -85.62 -3.08 58.78 Favored 'General case' 0 CA--C 1.591 2.555 0 CA-C-N 121.18 1.809 . . . . 0.0 112.625 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 80.67 -20.64 0.37 Allowed 'General case' 0 N--CA 1.514 2.754 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.9 p -52.53 -39.57 61.54 Favored 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 127.394 2.278 . . . . 0.0 113.75 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 80.62 59.8 2.44 Favored Glycine 0 C--N 1.346 1.133 0 N-CA-C 118.17 2.028 . . . . 0.0 118.17 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -152.81 114.7 4.34 Favored 'General case' 0 CA--C 1.564 1.488 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.2 mp -99.87 127.69 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.433 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.4 p -107.59 172.61 6.73 Favored 'General case' 0 CA--C 1.576 1.944 0 CA-C-N 113.136 -1.847 . . . . 0.0 109.024 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -56.76 -34.38 67.52 Favored 'General case' 0 N--CA 1.507 2.42 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -63.49 -40.19 96.44 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.325 -0.859 . . . . 0.0 112.443 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.05 -35.08 79.58 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-O 117.721 -1.133 . . . . 0.0 108.856 174.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 44.9 mt -54.16 -47.16 72.27 Favored 'General case' 0 N--CA 1.506 2.353 0 CA-C-N 121.271 1.851 . . . . 0.0 110.508 172.116 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -56.13 -47.03 78.93 Favored 'General case' 0 N--CA 1.503 2.208 0 C-N-CA 123.427 0.691 . . . . 0.0 111.534 174.356 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -58.24 -50.7 72.65 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.494 -0.754 . . . . 0.0 112.048 174.908 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.41 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 21.9 t -65.53 -34.28 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.437 0 O-C-N 121.027 -1.046 . . . . 0.0 111.698 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.92 86.28 Favored 'General case' 0 CA--C 1.573 1.86 0 CA-C-N 119.485 1.039 . . . . 0.0 111.324 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -65.29 -39.98 93.26 Favored 'General case' 0 CA--C 1.586 2.344 0 CA-C-N 120.898 1.681 . . . . 0.0 111.484 173.653 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.34 -51.98 65.0 Favored 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 177.215 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.659 HD23 ' CG ' ' A' ' 93' ' ' MET 0.464 1.0 OUTLIER -54.48 -52.79 60.77 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 128.473 2.709 . . . . 0.0 115.823 173.107 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.55 -37.54 3.76 Favored Glycine 0 N--CA 1.486 2.005 0 CA-C-N 114.973 -1.012 . . . . 0.0 115.054 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.419 ' HB3' ' SD ' ' A' ' 93' ' ' MET . 3.3 tp10 -82.01 89.7 6.44 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-O 122.41 1.1 . . . . 0.0 108.972 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -91.75 109.48 20.8 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 121.656 0.741 . . . . 0.0 110.979 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.2 -109.09 0.03 OUTLIER 'General case' 0 CA--C 1.563 1.475 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.03 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.8 t -154.49 161.82 41.47 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 124.763 2.22 . . . . 0.0 108.357 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -42.83 -50.12 5.72 Favored 'General case' 0 CA--C 1.568 1.673 0 CA-C-N 111.571 -2.559 . . . . 0.0 117.249 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -63.41 -41.66 98.72 Favored 'General case' 0 CA--C 1.569 1.674 0 C-N-CA 125.652 1.581 . . . . 0.0 113.599 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -61.11 -54.72 41.09 Favored 'General case' 0 CA--C 1.58 2.113 0 C-N-CA 123.795 0.838 . . . . 0.0 110.398 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 10.7 mt -56.41 -39.1 72.49 Favored 'General case' 0 CA--C 1.576 1.944 0 O-C-N 120.681 -1.262 . . . . 0.0 112.918 174.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.5 tp-100 -68.22 -42.35 79.93 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-O 116.356 -1.783 . . . . 0.0 110.841 -179.397 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.0 -37.83 77.8 Favored 'General case' 0 CA--C 1.578 2.039 0 CA-C-N 121.104 1.775 . . . . 0.0 110.146 174.545 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -43.52 95.83 Favored 'General case' 0 N--CA 1.506 2.345 0 CA-C-N 121.107 1.776 . . . . 0.0 110.796 172.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.4 mm -56.93 -52.1 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 C-N-CA 123.942 0.897 . . . . 0.0 109.892 172.834 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -51.07 -39.55 56.28 Favored 'General case' 0 CA--C 1.566 1.578 0 C-N-CA 125.01 1.324 . . . . 0.0 114.256 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -51.83 49.45 Favored 'General case' 0 N--CA 1.506 2.351 0 CA-C-O 122.349 1.071 . . . . 0.0 110.487 173.212 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.486 ' HB1' ' CG2' ' A' ' 157' ' ' VAL . . . -64.78 -41.6 95.72 Favored 'General case' 0 CA--C 1.575 1.911 0 N-CA-C 120.267 3.432 . . . . 0.0 120.267 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -61.21 72.04 0.01 OUTLIER 'General case' 0 CA--C 1.598 2.804 0 N-CA-C 118.505 2.78 . . . . 0.0 118.505 -176.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -32.3 60.26 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 117.741 -3.1 . . . . 0.0 116.544 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -69.05 -33.27 73.31 Favored 'General case' 0 CA--C 1.579 2.081 0 CA-C-O 118.403 -0.808 . . . . 0.0 113.038 175.569 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 97.97 -9.43 63.68 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 120.305 2.882 . . . . 0.0 120.305 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -87.59 -34.39 18.55 Favored 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 120.481 2.14 . . . . 0.0 113.978 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 138.97 34.76 0.16 Allowed Glycine 0 CA--C 1.551 2.299 0 N-CA-C 116.756 1.462 . . . . 0.0 116.756 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -160.05 142.2 13.11 Favored 'General case' 0 CA--C 1.574 1.898 0 CA-C-N 119.47 1.635 . . . . 0.0 112.233 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.486 ' CG2' ' HB1' ' A' ' 149' ' ' ALA . 4.4 t -99.95 127.14 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.463 0 C-N-CA 125.167 1.387 . . . . 0.0 110.79 -176.281 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 70.8 p -100.03 175.28 5.81 Favored 'General case' 0 CA--C 1.568 1.653 0 N-CA-C 116.329 1.974 . . . . 0.0 116.329 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -52.64 -50.12 63.8 Favored 'General case' 0 N--CA 1.511 2.588 0 CA-C-O 117.714 -1.136 . . . . 0.0 113.129 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.442 ' HA ' ' CD1' ' A' ' 163' ' ' LEU . 0.0 OUTLIER -63.87 -30.81 71.86 Favored 'General case' 0 CA--C 1.563 1.453 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -25.21 40.52 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 119.412 1.006 . . . . 0.0 111.605 176.15 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 110' ' ' PHE 0.256 0.0 OUTLIER -65.68 -60.1 3.25 Favored 'General case' 0 CA--C 1.557 1.224 0 CA-C-N 120.504 1.502 . . . . 0.0 109.365 175.426 . . . . . . . . 4 4 . 1 . 005 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.61 HD12 ' H ' ' A' ' 164' ' ' ARG . 0.4 OUTLIER -80.32 -60.04 2.47 Favored 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 178.46 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.61 ' H ' HD12 ' A' ' 163' ' ' LEU . 0.7 OUTLIER -80.08 -19.91 46.39 Favored 'General case' 0 CA--C 1.582 2.191 0 N-CA-C 119.298 3.073 . . . . 0.0 119.298 -178.007 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.254 7.8 tp . . . . . 0 N--CA 1.517 2.899 0 CA-C-N 123.394 2.816 . . . . 0.0 117.595 -176.25 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 . . . . . 0 N--CA 1.507 2.402 0 N-CA-C 119.495 3.146 . . . . 0.0 119.495 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -53.74 -36.07 54.04 Favored Glycine 0 N--CA 1.506 3.365 0 CA-C-N 120.807 1.639 . . . . 0.0 115.764 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -69.05 -59.89 2.73 Favored 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 125.741 1.616 . . . . 0.0 111.428 176.179 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -50.44 -46.77 56.76 Favored 'General case' 0 N--CA 1.506 2.372 0 CA-C-N 120.443 1.474 . . . . 0.0 113.428 176.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.6 tp -65.02 -50.45 66.2 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-O 117.587 -1.197 . . . . 0.0 111.954 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.527 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 6.7 t -57.07 -38.0 72.66 Favored 'General case' 0 N--CA 1.509 2.514 0 CA-C-N 120.523 1.511 . . . . 0.0 113.259 178.039 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.1 t -56.57 -53.19 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 C-N-CA 125.241 1.416 . . . . 0.0 109.696 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.684 ' HG2' HD13 ' A' ' 133' ' ' LEU . 0.6 OUTLIER -70.7 -36.7 73.39 Favored 'General case' 0 CA--C 1.583 2.212 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 176.616 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.527 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 73.3 p -66.31 -49.55 66.66 Favored 'General case' 0 N--CA 1.509 2.518 0 C-N-CA 124.681 1.193 . . . . 0.0 112.29 177.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -54.09 -30.05 46.95 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -64.05 -35.07 79.52 Favored 'General case' 0 CA--C 1.583 2.227 0 C-N-CA 124.525 1.13 . . . . 0.0 112.921 174.785 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 53.7 mtt -103.42 -174.26 2.51 Favored 'General case' 0 CA--C 1.581 2.136 0 C-N-CA 125.059 1.344 . . . . 0.0 109.357 176.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.8 m -83.72 59.85 5.41 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 119.11 -2.244 . . . . 0.0 115.155 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -143.96 141.79 30.39 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 122.338 1.066 . . . . 0.0 111.441 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.25 -170.82 2.89 Favored 'General case' 0 CA--C 1.579 2.089 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.947 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 74.34 135.57 0.05 Allowed 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 67.0 p -109.85 -137.58 0.37 Allowed 'General case' 0 CA--C 1.584 2.272 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.203 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.52 ' HD2' ' H ' ' A' ' 104' ' ' GLU 0.344 0.0 OUTLIER 47.7 -86.16 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.512 0 C-N-CA 128.229 2.612 . . . . 0.0 114.779 -176.839 . . . . . . . . 4 4 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLU . . . . . 0.52 ' H ' ' HD2' ' A' ' 103' ' ' LYS . 4.1 mm-40 -42.97 -27.04 0.16 Allowed 'General case' 0 CA--C 1.595 2.691 0 CA-C-N 123.766 2.985 . . . . 0.0 117.03 172.372 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.22 -30.4 70.31 Favored 'General case' 0 C--N 1.362 1.133 0 CA-C-O 115.253 -2.308 . . . . 0.0 113.872 176.855 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.34 -46.76 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 CA-C-N 125.207 3.639 . . . . 0.0 112.16 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.61 -50.89 32.29 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -67.02 -42.39 84.99 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-O 116.931 -1.509 . . . . 0.0 112.653 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.21 88.38 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-O 115.372 -2.252 . . . . 0.0 112.458 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.45 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.3 t80 -65.29 -47.06 77.94 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-N 122.482 2.401 . . . . 0.0 111.919 177.123 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -65.08 -35.51 81.38 Favored 'General case' 0 CA--C 1.577 2.006 0 CA-C-N 120.363 1.438 . . . . 0.0 112.941 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.7 pp -74.56 -22.81 58.81 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 122.275 2.307 . . . . 0.0 113.145 172.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -39.14 92.53 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 175.308 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.21 63.12 0.98 Allowed 'General case' 0 CA--C 1.587 2.387 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.72 -19.03 0.02 OUTLIER 'General case' 0 CA--C 1.596 2.742 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 173.235 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -79.62 -18.66 51.04 Favored 'General case' 0 CA--C 1.588 2.425 0 CA-C-N 120.452 1.478 . . . . 0.0 111.092 175.707 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 68.43 58.68 0.42 Allowed 'General case' 0 CA--C 1.581 2.162 0 CA-C-O 125.951 2.786 . . . . 0.0 112.097 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 42.5 p -133.6 -26.36 1.61 Allowed 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 111.691 -2.504 . . . . 0.0 112.121 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 84.55 41.7 7.69 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 117.206 1.642 . . . . 0.0 117.206 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.88 130.63 10.81 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.999 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.1 mp -99.85 122.27 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 CA-C-O 123.553 1.645 . . . . 0.0 107.612 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 69.8 p -99.99 165.6 11.46 Favored 'General case' 0 CA--C 1.584 2.287 0 CA-C-N 111.9 -2.409 . . . . 0.0 106.157 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -54.68 -32.37 59.28 Favored 'General case' 0 N--CA 1.511 2.613 0 O-C-N 119.725 -1.86 . . . . 0.0 114.935 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -42.49 98.03 Favored 'General case' 0 CA--C 1.569 1.709 0 O-C-N 121.088 -1.008 . . . . 0.0 112.468 177.277 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -66.87 -35.36 79.86 Favored 'General case' 0 CA--C 1.585 2.319 0 CA-C-N 120.274 1.397 . . . . 0.0 109.002 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.6 mt -52.43 -46.75 66.52 Favored 'General case' 0 N--CA 1.508 2.453 0 CA-C-N 121.427 1.921 . . . . 0.0 110.431 172.585 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -58.58 -47.93 82.64 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 123.781 0.832 . . . . 0.0 112.665 174.151 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 -56.18 -52.23 65.13 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 6.5 t -67.79 -34.48 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.31 0 CA-C-O 118.098 -0.954 . . . . 0.0 111.899 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.38 -53.39 56.75 Favored 'General case' 0 CA--C 1.575 1.912 0 CA-C-N 120.397 1.453 . . . . 0.0 110.135 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -70.05 -42.04 73.42 Favored 'General case' 0 CA--C 1.574 1.897 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -67.39 -20.04 65.49 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.684 HD13 ' HG2' ' A' ' 93' ' ' MET . 8.8 mt -68.12 -70.44 0.26 Allowed 'General case' 0 CA--C 1.567 1.596 0 CA-C-N 120.381 1.446 . . . . 0.0 111.309 177.511 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 177.6 -47.21 0.1 OUTLIER Glycine 0 N--CA 1.492 2.385 0 N-CA-C 116.694 1.438 . . . . 0.0 116.694 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.23 120.27 5.77 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 105.058 -2.201 . . . . 0.0 105.058 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.32 169.46 8.85 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 118.556 2.799 . . . . 0.0 118.556 -176.4 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.37 -115.99 0.06 Allowed 'General case' 0 CA--C 1.569 1.695 0 CA-C-N 111.677 -2.511 . . . . 0.0 109.379 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.468 ' O ' HD13 ' A' ' 142' ' ' LEU . 3.8 t -155.81 168.8 26.04 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 122.766 2.53 . . . . 0.0 112.605 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -41.02 -53.4 3.0 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 116.727 2.121 . . . . 0.0 116.727 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.5 -41.4 98.79 Favored 'General case' 0 CA--C 1.569 1.707 0 C-N-CA 125.57 1.548 . . . . 0.0 113.741 178.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . 0.253 11.4 tp10 -62.17 -50.84 70.21 Favored 'General case' 0 CA--C 1.581 2.142 0 C-N-CA 123.969 0.908 . . . . 0.0 109.767 175.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 138' ' ' THR . 3.1 mp -57.03 -37.58 71.94 Favored 'General case' 0 CA--C 1.563 1.461 0 O-C-N 120.022 -1.674 . . . . 0.0 113.349 172.829 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.25 3.8 tp-100 -69.24 -35.86 76.58 Favored 'General case' 0 CA--C 1.562 1.416 0 CA-C-O 116.802 -1.571 . . . . 0.0 110.746 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -65.78 -37.43 86.28 Favored 'General case' 0 CA--C 1.583 2.219 0 CA-C-N 121.008 1.731 . . . . 0.0 109.157 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 36.6 mmt -56.37 -43.92 79.66 Favored 'General case' 0 CA--C 1.586 2.352 0 CA-C-N 120.519 1.508 . . . . 0.0 110.055 172.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 9.1 mm -61.26 -55.59 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 C-N-CA 124.973 1.309 . . . . 0.0 110.202 173.769 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -41.09 28.37 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -79.97 -36.61 35.85 Favored 'General case' 0 CA--C 1.588 2.44 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 176.035 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.81 51.41 Favored 'General case' 0 CA--C 1.577 2.016 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -81.32 56.71 2.97 Favored 'General case' 0 CA--C 1.582 2.178 0 O-C-N 120.123 -1.61 . . . . 0.0 111.589 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -30.2 67.79 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 118.402 2.742 . . . . 0.0 118.402 -177.466 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.63 -34.08 64.83 Favored 'General case' 0 CA--C 1.588 2.436 0 C-N-CA 123.246 0.618 . . . . 0.0 111.133 174.074 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 93.73 50.0 2.41 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 120.442 2.937 . . . . 0.0 120.442 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -130.0 14.34 5.76 Favored 'General case' 0 CA--C 1.593 2.601 0 CA-C-O 117.778 -1.106 . . . . 0.0 113.408 177.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 78.99 15.56 80.41 Favored Glycine 0 N--CA 1.503 3.113 0 CA-C-N 123.923 3.056 . . . . 0.0 117.323 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -159.86 148.86 17.65 Favored 'General case' 0 CA--C 1.571 1.779 0 CA-C-O 123.263 1.506 . . . . 0.0 111.179 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 10.2 t -99.83 119.43 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 75.7 m -99.96 173.5 6.63 Favored 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 122.603 1.192 . . . . 0.0 112.423 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -54.43 -47.65 72.59 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 117.068 -1.444 . . . . 0.0 114.301 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -36.05 72.46 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 122.225 2.284 . . . . 0.0 114.806 176.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.307 6.5 tp10 -76.33 -30.07 57.52 Favored 'General case' 0 CA--C 1.596 2.73 0 CA-C-N 122.611 2.46 . . . . 0.0 110.176 174.685 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.45 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -59.95 -57.09 14.38 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 121.963 2.165 . . . . 0.0 112.272 175.69 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.425 ' H ' ' HG ' ' A' ' 163' ' ' LEU . 1.9 pp -80.18 -45.98 17.14 Favored 'General case' 0 CA--C 1.571 1.778 0 CA-C-O 118.095 -0.955 . . . . 0.0 113.341 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -21.2 43.81 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 N--CA 1.518 2.93 0 N-CA-C 118.255 2.687 . . . . 0.0 118.255 -178.971 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.515 2.787 0 N-CA-C 119.282 3.067 . . . . 0.0 119.282 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.73 -37.33 14.24 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 117.31 1.684 . . . . 0.0 117.31 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -53.23 59.16 Favored 'General case' 0 CA--C 1.567 1.606 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.471 176.798 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' PHE . . . . . 0.546 ' CZ ' HG22 ' A' ' 129' ' ' VAL . 8.0 t80 -60.54 -43.1 97.56 Favored 'General case' 0 CA--C 1.585 2.301 0 CA-C-N 119.484 1.038 . . . . 0.0 111.783 176.551 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 34.7 tp -62.25 -44.73 95.9 Favored 'General case' 0 CA--C 1.572 1.797 0 C-N-CA 123.687 0.795 . . . . 0.0 112.574 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.2 m -59.09 -42.42 90.43 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 124.03 0.932 . . . . 0.0 112.545 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.17 -46.36 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 C-N-CA 124.686 1.194 . . . . 0.0 110.965 175.318 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.532 ' HG2' HG23 ' A' ' 129' ' ' VAL . 0.3 OUTLIER -65.95 -47.26 75.24 Favored 'General case' 0 CA--C 1.578 2.044 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 175.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.8 p -74.98 -59.95 2.51 Favored 'General case' 0 N--CA 1.501 2.093 0 C-N-CA 124.683 1.193 . . . . 0.0 113.023 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -78.75 40.39 0.38 Allowed 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -76.36 -47.27 24.0 Favored 'General case' 0 CA--C 1.572 1.796 0 O-C-N 120.654 -1.278 . . . . 0.0 111.552 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.0 tpt -105.91 -75.43 0.63 Allowed 'General case' 0 CA--C 1.569 1.673 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.8 t -158.85 80.58 0.79 Allowed 'General case' 0 CA--C 1.567 1.629 0 CA-C-N 119.525 1.057 . . . . 0.0 109.955 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -152.45 104.28 2.9 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-O 122.635 1.207 . . . . 0.0 110.259 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 148.44 9.88 Favored 'General case' 0 CA--C 1.575 1.922 0 N-CA-C 121.149 3.759 . . . . 0.0 121.149 -178.561 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -156.24 129.84 8.32 Favored 'General case' 0 CA--C 1.572 1.814 0 C-N-CA 124.216 1.006 . . . . 0.0 108.909 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 50.8 p -145.81 -73.88 0.23 Allowed 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.583 -0.698 . . . . 0.0 110.811 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.88 -178.97 6.07 Favored 'General case' 0 CA--C 1.579 2.078 0 C-N-CA 124.65 1.18 . . . . 0.0 111.354 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 67.43 -47.37 0.49 Allowed 'General case' 0 N--CA 1.528 3.449 0 CA-C-N 121.428 1.922 . . . . 0.0 112.836 -174.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -62.4 -22.3 66.04 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 116.777 -1.582 . . . . 0.0 113.527 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.7 tt -53.95 -40.03 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.616 0 CA-C-N 122.866 2.575 . . . . 0.0 111.133 172.492 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.461 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 0.2 OUTLIER -69.91 -47.06 63.92 Favored 'General case' 0 CA--C 1.56 1.352 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 179.487 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -68.83 -41.08 79.05 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 117.663 -1.161 . . . . 0.0 112.106 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.56 -43.07 86.02 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-N 121.09 1.768 . . . . 0.0 113.168 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.473 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.5 t80 -69.44 -45.08 69.94 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 120.68 1.582 . . . . 0.0 111.373 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -32.27 73.46 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-N 120.529 1.513 . . . . 0.0 111.9 177.891 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.9 mt -76.41 -20.0 57.56 Favored 'General case' 0 CA--C 1.584 2.255 0 CA-C-N 121.897 2.135 . . . . 0.0 111.944 173.098 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -63.26 -48.34 78.58 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 122.333 2.333 . . . . 0.0 111.301 171.623 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.9 81.65 2.16 Favored 'General case' 0 CA--C 1.591 2.552 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -42.59 -21.05 0.02 OUTLIER 'General case' 0 N--CA 1.538 3.973 0 CA-C-N 122.601 2.455 . . . . 0.0 114.942 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -89.32 -22.16 22.78 Favored 'General case' 0 CA--C 1.577 2.015 0 O-C-N 120.148 -1.595 . . . . 0.0 112.66 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 76.55 15.66 2.11 Favored 'General case' 0 CA--C 1.582 2.176 0 CA-C-N 120.916 1.689 . . . . 0.0 115.06 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.4 t -85.69 -28.37 24.72 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 125.532 1.533 . . . . 0.0 110.929 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 78.55 71.78 1.21 Allowed Glycine 0 C--N 1.362 1.998 0 N-CA-C 118.45 2.14 . . . . 0.0 118.45 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.04 109.93 1.83 Allowed 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 124.263 1.025 . . . . 0.0 109.572 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.5 mp -110.18 131.86 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 CA-C-O 122.933 1.349 . . . . 0.0 109.101 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.0 p -107.99 174.86 5.69 Favored 'General case' 0 CA--C 1.58 2.134 0 CA-C-O 124.246 1.974 . . . . 0.0 107.487 174.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -50.89 -40.7 57.28 Favored 'General case' 0 N--CA 1.509 2.511 0 N-CA-C 117.214 2.302 . . . . 0.0 117.214 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -59.67 -46.01 90.35 Favored 'General case' 0 CA--C 1.58 2.116 0 C-N-CA 124.128 0.971 . . . . 0.0 113.476 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -30.22 68.0 Favored 'General case' 0 N--CA 1.511 2.62 0 O-C-N 120.523 -1.361 . . . . 0.0 109.418 175.086 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.475 ' HA ' HG13 ' A' ' 129' ' ' VAL . 73.2 mt -58.64 -36.81 74.7 Favored 'General case' 0 CA--C 1.6 2.868 0 CA-C-N 122.009 2.186 . . . . 0.0 110.342 171.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -60.69 -45.96 92.17 Favored 'General case' 0 N--CA 1.503 2.191 0 C-N-CA 124.598 1.159 . . . . 0.0 109.828 172.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -54.29 -49.16 70.27 Favored 'General case' 0 N--CA 1.507 2.418 0 CA-C-N 119.517 1.053 . . . . 0.0 113.189 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.583 HG23 HD12 ' A' ' 133' ' ' LEU . 0.4 OUTLIER -58.98 -45.45 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.999 0 C-N-CA 124.194 0.998 . . . . 0.0 111.561 177.117 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.36 82.18 Favored 'General case' 0 CA--C 1.575 1.938 0 CA-C-N 118.726 0.693 . . . . 0.0 112.449 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -67.73 -52.37 38.41 Favored 'General case' 0 CA--C 1.577 1.981 0 N-CA-C 115.802 1.778 . . . . 0.0 115.802 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -79.98 -19.99 46.54 Favored 'General case' 0 N--CA 1.49 1.552 1 N-CA-C 122.056 4.095 . . . . 0.0 122.056 -174.444 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.583 HD12 HG23 ' A' ' 129' ' ' VAL . 14.5 mt -90.44 -87.87 0.18 Allowed 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 116.925 2.195 . . . . 0.0 116.925 -177.074 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -125.23 -37.75 0.52 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 117.605 1.802 . . . . 0.0 117.605 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -157.36 130.65 7.82 Favored 'General case' 0 N--CA 1.502 2.128 0 CA-C-N 119.898 1.849 . . . . 0.0 113.804 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -82.37 103.33 11.86 Favored 'General case' 0 CA--C 1.565 1.534 0 O-C-N 120.932 -1.105 . . . . 0.0 113.76 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -76.12 177.4 7.17 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-O 122.115 0.96 . . . . 0.0 112.992 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.4 t -96.4 157.65 15.8 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 122.887 1.327 . . . . 0.0 110.063 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -41.49 -51.68 3.81 Favored 'General case' 0 CA--C 1.572 1.82 0 N-CA-C 117.39 2.367 . . . . 0.0 117.39 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.65 -47.17 87.44 Favored 'General case' 0 CA--C 1.573 1.838 0 C-N-CA 125.454 1.502 . . . . 0.0 112.668 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -58.11 -52.18 66.64 Favored 'General case' 0 CA--C 1.581 2.146 0 C-N-CA 124.143 0.977 . . . . 0.0 111.883 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.53 -34.39 72.58 Favored 'General case' 0 CA--C 1.569 1.687 0 O-C-N 120.504 -1.372 . . . . 0.0 112.597 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.8 tp-100 -68.87 -37.25 78.95 Favored 'General case' 0 CA--C 1.565 1.544 0 CA-C-O 117.421 -1.276 . . . . 0.0 110.42 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.8 -36.58 84.36 Favored 'General case' 0 CA--C 1.587 2.391 0 CA-C-N 120.5 1.5 . . . . 0.0 109.371 172.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.7 mmt -59.92 -42.37 93.76 Favored 'General case' 0 CA--C 1.588 2.44 0 O-C-N 119.908 -1.745 . . . . 0.0 110.188 172.469 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.6 mm -59.66 -56.11 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 C-N-CA 124.462 1.105 . . . . 0.0 109.123 173.018 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -41.13 20.48 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -76.17 -48.3 21.01 Favored 'General case' 0 CA--C 1.583 2.237 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.81 -37.78 80.14 Favored 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 117.527 2.417 . . . . 0.0 117.527 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -70.55 53.02 0.14 Allowed 'General case' 0 CA--C 1.589 2.466 0 C-N-CA 126.508 1.923 . . . . 0.0 114.427 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -50.93 -30.1 13.91 Favored 'General case' 0 CA--C 1.573 1.845 0 O-C-N 118.875 -2.391 . . . . 0.0 116.435 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -71.19 -42.93 68.37 Favored 'General case' 0 CA--C 1.586 2.34 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.832 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 119.6 -8.31 12.0 Favored Glycine 0 N--CA 1.496 2.635 1 N-CA-C 124.657 4.623 . . . . 0.0 124.657 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -87.03 -27.47 23.18 Favored 'General case' 0 N--CA 1.506 2.348 0 CA-C-N 122.912 3.356 . . . . 0.0 115.697 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 129.13 26.4 0.91 Allowed Glycine 0 CA--C 1.553 2.42 0 N-CA-C 117.142 1.617 . . . . 0.0 117.142 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -160.01 148.43 17.13 Favored 'General case' 0 CA--C 1.576 1.978 0 CA-C-N 118.816 1.308 . . . . 0.0 108.687 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.7 t -99.87 122.23 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.206 0 O-C-N 120.227 -1.546 . . . . 0.0 109.644 -173.915 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 87.1 p -99.93 171.55 7.78 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-O 122.898 1.333 . . . . 0.0 113.579 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.256 0.0 OUTLIER -54.98 -44.78 74.74 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 117.254 -1.355 . . . . 0.0 113.247 177.178 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.408 ' HA ' HD11 ' A' ' 163' ' ' LEU . 0.0 OUTLIER -63.44 -37.05 85.78 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 121.757 2.072 . . . . 0.0 113.001 178.018 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -79.27 -19.88 49.46 Favored 'General case' 0 CA--C 1.58 2.119 0 CA-C-N 121.486 1.948 . . . . 0.0 113.12 175.317 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.0 OUTLIER -66.42 -57.06 8.2 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 121.258 1.844 . . . . 0.0 109.92 174.22 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.509 HD12 ' H ' ' A' ' 164' ' ' ARG . 0.4 OUTLIER -80.13 -56.7 4.04 Favored 'General case' 0 CA--C 1.575 1.911 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.509 ' H ' HD12 ' A' ' 163' ' ' LEU . 0.4 OUTLIER -80.12 -19.83 46.42 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 118.726 2.862 . . . . 0.0 118.726 -179.372 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.257 5.9 tp . . . . . 0 N--CA 1.513 2.711 0 N-CA-C 118.141 2.645 . . . . 0.0 118.141 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 . . . . . 0 N--CA 1.504 2.26 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -46.75 -40.49 12.05 Favored Glycine 0 N--CA 1.501 3.015 0 CA-C-N 121.997 2.18 . . . . 0.0 117.044 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -65.31 -51.2 62.18 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 124.799 1.24 . . . . 0.0 110.367 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -59.85 -39.44 85.17 Favored 'General case' 0 N--CA 1.505 2.286 0 C-N-CA 124.355 1.062 . . . . 0.0 111.659 173.835 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.94 -52.8 54.37 Favored 'General case' 0 CA--C 1.562 1.435 0 O-C-N 120.617 -1.302 . . . . 0.0 110.879 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.631 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 6.0 m -56.33 -40.54 74.58 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 119.522 1.056 . . . . 0.0 112.777 176.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -45.03 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 C-N-CA 124.576 1.151 . . . . 0.0 112.225 175.739 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.454 ' SD ' ' O ' ' A' ' 135' ' ' GLU . 0.0 OUTLIER -72.57 -44.9 61.45 Favored 'General case' 0 CA--C 1.587 2.383 0 O-C-N 121.707 -0.621 . . . . 0.0 112.435 175.313 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.631 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 40.0 p -57.2 -46.54 82.78 Favored 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 126.511 1.924 . . . . 0.0 114.134 178.902 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -53.24 -26.66 18.75 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.22 10.11 35.84 Favored 'General case' 0 CA--C 1.58 2.13 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 176.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 21.2 mmt -139.58 -72.34 0.38 Allowed 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 120.917 1.69 . . . . 0.0 112.643 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.8 m -163.5 179.1 7.5 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.581 -1.324 . . . . 0.0 111.665 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 68.36 163.12 0.21 Allowed 'General case' 0 N--CA 1.503 2.217 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.92 -168.58 1.8 Allowed 'General case' 0 CA--C 1.582 2.176 0 O-C-N 120.81 -1.181 . . . . 0.0 111.545 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 40.3 t0 71.45 160.12 0.22 Allowed 'General case' 0 CA--C 1.581 2.138 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 19.5 m -124.37 129.07 50.04 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 124.85 1.26 . . . . 0.0 109.323 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER 100.32 152.84 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.647 0 C-N-CA 129.097 2.959 . . . . 0.0 109.379 -177.552 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 68.72 -58.27 0.49 Allowed 'General case' 0 N--CA 1.536 3.847 0 CA-C-N 123.406 2.821 . . . . 0.0 110.295 -173.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.1 -42.37 28.75 Favored 'General case' 0 CA--C 1.568 1.635 0 C-N-CA 127.962 2.505 . . . . 0.0 112.826 173.74 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.403 HG23 HD23 ' A' ' 107' ' ' LEU . 6.9 tt -61.7 -45.09 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 CA-C-N 118.521 0.6 . . . . 0.0 111.978 177.744 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.403 HD23 HG23 ' A' ' 106' ' ' ILE . 5.5 mt -70.56 -41.33 72.6 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 178.213 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -67.5 -43.88 79.8 Favored 'General case' 0 CA--C 1.567 1.631 0 CA-C-O 117.209 -1.377 . . . . 0.0 111.765 175.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.47 93.38 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 121.648 2.022 . . . . 0.0 114.432 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.485 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 5.1 t80 -69.82 -42.68 73.35 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 120.058 1.299 . . . . 0.0 111.77 176.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -63.9 -37.73 88.46 Favored 'General case' 0 CA--C 1.578 2.039 0 CA-C-O 116.998 -1.477 . . . . 0.0 110.803 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.25 -29.16 67.01 Favored 'General case' 0 CA--C 1.581 2.148 0 CA-C-N 122.26 2.3 . . . . 0.0 112.068 173.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -39.8 70.48 Favored 'General case' 0 CA--C 1.583 2.215 0 C-N-CA 124.627 1.171 . . . . 0.0 112.589 173.085 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -99.37 80.74 2.44 Favored 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -15.99 0.58 Allowed 'General case' 0 N--CA 1.513 2.721 0 CA-C-N 123.785 2.993 . . . . 0.0 116.901 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -85.55 3.01 42.49 Favored 'General case' 0 CA--C 1.591 2.548 0 CA-C-N 121.997 2.18 . . . . 0.0 111.252 175.264 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.262 35.1 tt0 69.3 -1.45 2.17 Favored 'General case' 0 N--CA 1.505 2.297 0 N-CA-C 118.599 2.814 . . . . 0.0 118.599 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.7 p -68.16 -42.36 80.17 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.498 1.519 . . . . 0.0 110.755 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.87 69.18 1.32 Allowed Glycine 0 C--N 1.348 1.209 0 CA-C-O 118.762 -1.021 . . . . 0.0 115.348 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.43 109.94 6.63 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 118.062 0.931 . . . . 0.0 110.87 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.9 mp -116.39 133.24 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 CA-C-O 122.834 1.302 . . . . 0.0 108.987 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.6 p -112.16 167.87 10.06 Favored 'General case' 0 CA--C 1.578 2.055 0 CA-C-N 113.736 -1.575 . . . . 0.0 107.917 173.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.47 -43.48 45.12 Favored 'General case' 0 N--CA 1.522 3.161 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -54.54 -43.68 72.18 Favored 'General case' 0 CA--C 1.575 1.941 0 CA-C-N 114.134 -1.394 . . . . 0.0 113.436 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -69.53 -34.65 74.56 Favored 'General case' 0 CA--C 1.586 2.345 0 CA-C-O 117.253 -1.356 . . . . 0.0 109.239 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 76.2 mt -53.52 -44.92 69.51 Favored 'General case' 0 N--CA 1.51 2.548 0 CA-C-N 122.262 2.301 . . . . 0.0 110.021 171.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -56.58 -49.76 73.94 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 119.565 1.075 . . . . 0.0 111.328 173.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -56.87 -52.0 66.84 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 119.01 -0.519 . . . . 0.0 111.766 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.57 -32.37 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.537 0 C-N-CA 124.142 0.977 . . . . 0.0 112.898 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.39 -55.56 33.5 Favored 'General case' 0 CA--C 1.565 1.549 0 CA-C-O 118.153 -0.927 . . . . 0.0 109.742 174.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -22.85 60.97 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-N 119.984 1.265 . . . . 0.0 114.394 175.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.62 -32.44 41.77 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.0 mt -70.73 -77.98 0.08 Allowed 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 119.992 1.269 . . . . 0.0 112.967 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 178.96 -37.59 0.08 OUTLIER Glycine 0 N--CA 1.491 2.353 0 N-CA-C 120.191 2.836 . . . . 0.0 120.191 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.454 ' O ' ' SD ' ' A' ' 93' ' ' MET . 35.1 tt0 -144.5 95.57 2.73 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 119.273 1.537 . . . . 0.0 109.17 -178.869 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -105.88 169.4 8.51 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 117.857 2.54 . . . . 0.0 117.857 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.58 -122.76 0.11 Allowed 'General case' 0 CA--C 1.575 1.914 0 CA-C-N 113.704 -1.589 . . . . 0.0 110.496 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.49 ' O ' HD13 ' A' ' 142' ' ' LEU . 5.8 t -141.53 170.53 15.55 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-O 124.627 2.156 . . . . 0.0 108.639 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -40.04 -54.15 2.29 Favored 'General case' 0 CA--C 1.577 2.016 0 CA-C-N 112.113 -2.312 . . . . 0.0 116.232 176.139 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.44 -43.85 93.05 Favored 'General case' 0 CA--C 1.572 1.794 0 C-N-CA 125.961 1.705 . . . . 0.0 113.011 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -60.17 -49.84 76.06 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-N 118.704 0.684 . . . . 0.0 110.488 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 138' ' ' THR . 2.8 mp -56.88 -41.0 77.26 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 120.363 1.438 . . . . 0.0 113.433 174.142 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.3 tp-100 -64.68 -34.6 78.68 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-N 119.747 1.158 . . . . 0.0 110.915 177.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.36 -39.29 93.59 Favored 'General case' 0 CA--C 1.588 2.43 0 CA-C-N 120.537 1.517 . . . . 0.0 109.694 171.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.0 mmt -59.3 -35.09 73.13 Favored 'General case' 0 CA--C 1.581 2.135 0 O-C-N 120.915 -1.115 . . . . 0.0 111.282 173.413 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 9.7 mm -66.81 -58.8 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 CA-C-O 117.185 -1.388 . . . . 0.0 108.195 173.366 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -51.31 -48.24 62.38 Favored 'General case' 0 N--CA 1.504 2.259 0 CA-C-N 120.173 1.351 . . . . 0.0 112.238 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -60.58 -39.08 86.74 Favored 'General case' 0 CA--C 1.589 2.461 0 CA-C-N 120.38 1.445 . . . . 0.0 113.286 174.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -71.22 -47.09 59.35 Favored 'General case' 0 CA--C 1.583 2.238 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.94 35.3 0.13 Allowed 'General case' 0 CA--C 1.575 1.906 0 N-CA-C 117.255 2.317 . . . . 0.0 117.255 -178.858 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -30.33 60.16 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 118.659 2.837 . . . . 0.0 118.659 -175.636 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.94 39.72 3.9 Favored 'General case' 0 CA--C 1.589 2.48 0 C-N-CA 123.816 0.846 . . . . 0.0 109.389 173.354 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -127.89 -91.07 0.7 Allowed Glycine 0 C--N 1.371 2.524 0 CA-C-O 116.804 -2.109 . . . . 0.0 110.913 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 21.2 t70 168.16 -48.6 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.488 0 CA-C-N 120.055 1.928 . . . . 0.0 110.953 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -169.1 10.76 0.05 OUTLIER Glycine 0 CA--C 1.562 2.983 0 N-CA-C 119.447 2.539 . . . . 0.0 119.447 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -155.74 139.8 16.42 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 103.352 -2.832 . . . . 0.0 103.352 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.73 122.22 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 120.344 -1.472 . . . . 0.0 113.14 -169.794 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.432 ' H ' ' CD ' ' A' ' 161' ' ' GLU . 8.9 t -100.01 167.32 10.56 Favored 'General case' 0 CA--C 1.57 1.729 0 CA-C-O 123.194 1.473 . . . . 0.0 108.714 176.019 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.307 9.0 pt-20 -53.87 -39.18 65.47 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 116.059 -1.924 . . . . 0.0 116.034 -177.35 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.82 -46.33 89.94 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-N 123.63 2.923 . . . . 0.0 114.263 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.432 ' CD ' ' H ' ' A' ' 158' ' ' SER . 10.4 pm0 -70.12 -23.1 62.97 Favored 'General case' 0 CA--C 1.579 2.065 0 CA-C-N 122.246 2.294 . . . . 0.0 112.552 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -65.89 -57.65 7.4 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.444 1.498 . . . . 0.0 113.577 175.694 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.8 pp -80.01 -35.26 37.59 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 9.1 mtp-105 -75.96 -58.37 3.32 Favored 'General case' 0 CA--C 1.566 1.594 0 CA-C-N 121.392 1.905 . . . . 0.0 111.583 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.262 9.5 tp . . . . . 0 N--CA 1.51 2.556 0 N-CA-C 118.371 2.73 . . . . 0.0 118.371 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 N--CA 1.515 2.792 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -48.88 -43.57 30.73 Favored Glycine 0 N--CA 1.5 2.963 0 CA-C-N 121.121 1.782 . . . . 0.0 115.968 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.3 -46.93 88.27 Favored 'General case' 0 CA--C 1.581 2.165 0 C-N-CA 124.314 1.046 . . . . 0.0 111.371 175.128 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -58.31 -37.38 74.97 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.75 -1.219 . . . . 0.0 112.208 173.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.12 -53.54 36.59 Favored 'General case' 0 CA--C 1.566 1.587 0 C-N-CA 124.496 1.118 . . . . 0.0 110.443 175.32 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.0 m -54.85 -42.75 72.37 Favored 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.29 -44.34 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 C-N-CA 125.533 1.533 . . . . 0.0 112.259 175.707 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.416 ' HG2' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -66.2 -43.5 86.59 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.804 1.241 . . . . 0.0 114.34 177.482 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.8 p -68.71 -57.64 5.37 Favored 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 173.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.76 -12.0 0.08 Allowed 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -177.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -139.35 89.51 2.34 Favored 'General case' 0 CA--C 1.56 1.342 0 N-CA-C 104.894 -2.261 . . . . 0.0 104.894 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . 0.256 1.9 ptp 89.32 116.64 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 126.25 1.82 . . . . 0.0 107.254 -176.736 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 t -69.28 -44.04 72.65 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 117.544 2.424 . . . . 0.0 117.544 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . 0.258 5.4 pt-20 59.88 -49.27 0.08 Allowed 'General case' 0 N--CA 1.508 2.462 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 -178.233 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -114.17 149.8 35.16 Favored 'General case' 0 CA--C 1.574 1.871 0 C-N-CA 125.179 1.392 . . . . 0.0 108.755 177.177 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -98.89 -101.2 0.22 Allowed 'General case' 0 CA--C 1.575 1.926 0 O-C-N 121.154 -0.967 . . . . 0.0 109.175 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.8 t -166.89 39.19 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.408 0 C-N-CA 126.002 1.721 . . . . 0.0 111.613 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.48 147.5 23.47 Favored 'General case' 0 CA--C 1.584 2.272 0 CA-C-O 115.506 -2.188 . . . . 0.0 111.911 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.3 -61.6 0.23 Allowed 'General case' 0 N--CA 1.535 3.815 0 CA-C-N 125.523 3.783 . . . . 0.0 111.415 -175.277 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -51.43 -30.77 20.55 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 128.416 2.686 . . . . 0.0 112.198 173.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.8 tt -55.26 -41.2 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.61 0 CA-C-N 121.94 2.154 . . . . 0.0 110.844 172.755 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.453 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 2.7 mp -68.27 -45.44 73.12 Favored 'General case' 0 CA--C 1.561 1.38 0 CA-C-O 118.937 -0.554 . . . . 0.0 112.255 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -46.32 81.29 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-O 117.854 -1.069 . . . . 0.0 111.202 174.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.5 -45.94 90.25 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 120.618 1.554 . . . . 0.0 114.231 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.444 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.1 t80 -67.53 -45.39 75.85 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 120.559 1.527 . . . . 0.0 111.375 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -33.4 75.81 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-O 116.857 -1.544 . . . . 0.0 113.343 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.2 pp -74.57 -28.66 61.03 Favored 'General case' 0 CA--C 1.573 1.844 0 CA-C-N 122.16 2.254 . . . . 0.0 111.55 171.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.64 -38.98 72.9 Favored 'General case' 0 CA--C 1.57 1.735 0 CA-C-N 119.381 0.992 . . . . 0.0 112.945 172.668 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -73.51 60.01 0.63 Allowed 'General case' 0 CA--C 1.584 2.256 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -56.52 -15.95 5.17 Favored 'General case' 0 CA--C 1.608 3.207 0 O-C-N 118.802 -2.436 . . . . 0.0 113.322 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -87.36 -17.1 33.13 Favored 'General case' 0 CA--C 1.576 1.956 0 C-N-CA 127.027 2.131 . . . . 0.0 113.858 176.24 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 68.98 18.81 8.35 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 72.7 p -84.5 -39.65 18.6 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 126.059 1.744 . . . . 0.0 110.92 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.42 43.29 6.24 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 116.366 1.306 . . . . 0.0 116.366 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.14 119.31 5.89 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-N 117.941 0.87 . . . . 0.0 110.419 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.435 HD13 ' CD2' ' A' ' 110' ' ' PHE . 1.1 mp -99.97 120.81 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 N-CA-C 105.111 -2.181 . . . . 0.0 105.111 177.056 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 59.6 p -99.96 163.25 12.52 Favored 'General case' 0 CA--C 1.583 2.237 0 CA-C-N 111.66 -2.518 . . . . 0.0 107.277 175.006 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -52.73 -39.26 61.94 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 119.888 -1.757 . . . . 0.0 115.198 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.6 -39.78 94.85 Favored 'General case' 0 CA--C 1.581 2.154 0 O-C-N 121.015 -1.053 . . . . 0.0 112.235 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.46 -35.97 81.61 Favored 'General case' 0 CA--C 1.581 2.149 0 O-C-N 120.455 -1.403 . . . . 0.0 109.222 174.096 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.5 mt -52.26 -45.78 65.56 Favored 'General case' 0 N--CA 1.503 2.22 0 CA-C-N 120.855 1.662 . . . . 0.0 110.03 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -56.84 -48.73 77.37 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.511 1.124 . . . . 0.0 111.502 173.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -52.62 -55.11 24.72 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-N 119.401 1.001 . . . . 0.0 111.904 175.935 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 33.1 t -67.18 -37.28 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.259 0 CA-C-O 118.584 -0.722 . . . . 0.0 112.733 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.08 82.63 Favored 'General case' 0 CA--C 1.568 1.668 0 CA-C-N 119.88 1.218 . . . . 0.0 113.544 176.083 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -27.25 40.72 Favored 'General case' 0 CA--C 1.578 2.026 0 CA-C-O 117.841 -1.076 . . . . 0.0 113.526 175.004 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.11 -26.38 39.54 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.416 ' CD1' ' HG2' ' A' ' 93' ' ' MET . 10.3 mt -64.07 -73.56 0.12 Allowed 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -179.09 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -173.58 -39.78 0.04 OUTLIER Glycine 0 N--CA 1.49 2.243 0 N-CA-C 117.853 1.901 . . . . 0.0 117.853 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -142.65 104.29 4.35 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 119.348 1.574 . . . . 0.0 107.808 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -69.96 136.92 51.02 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.593 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.4 tp -95.39 -114.75 0.12 Allowed 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 118.079 -0.963 . . . . 0.0 109.161 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 14.9 t -152.28 158.2 42.45 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 121.735 2.061 . . . . 0.0 111.958 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -49.11 -45.66 43.72 Favored 'General case' 0 N--CA 1.512 2.675 0 CA-C-N 113.768 -1.56 . . . . 0.0 113.897 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.8 -46.69 88.45 Favored 'General case' 0 CA--C 1.578 2.032 0 C-N-CA 124.842 1.257 . . . . 0.0 113.326 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -57.52 -50.24 73.72 Favored 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 123.964 0.906 . . . . 0.0 112.213 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 11.3 mt -56.86 -40.65 76.54 Favored 'General case' 0 CA--C 1.574 1.883 0 C-N-CA 124.063 0.945 . . . . 0.0 112.195 175.138 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.257 0.0 OUTLIER -67.89 -36.54 80.39 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-O 117.027 -1.464 . . . . 0.0 111.728 179.023 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -62.69 -37.57 86.99 Favored 'General case' 0 CA--C 1.586 2.349 0 CA-C-N 121.578 1.99 . . . . 0.0 109.647 172.702 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.7 ttp -56.02 -44.92 79.18 Favored 'General case' 0 CA--C 1.587 2.383 0 O-C-N 120.237 -1.539 . . . . 0.0 111.164 172.65 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 24.4 mm -60.45 -55.0 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 C-N-CA 124.683 1.193 . . . . 0.0 109.658 173.332 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.36 -41.64 29.27 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -70.65 -43.32 69.43 Favored 'General case' 0 CA--C 1.588 2.439 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.44 -27.64 56.29 Favored 'General case' 0 CA--C 1.574 1.898 0 N-CA-C 119.852 3.278 . . . . 0.0 119.852 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.302 28.0 t70 -87.27 29.24 0.86 Allowed 'General case' 0 CA--C 1.581 2.147 0 N-CA-C 117.279 2.325 . . . . 0.0 117.279 -177.869 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -40.12 58.84 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 119.15 3.019 . . . . 0.0 119.15 -176.171 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.27 8.93 36.03 Favored 'General case' 0 CA--C 1.585 2.292 0 CA-C-O 116.69 -1.624 . . . . 0.0 113.747 178.139 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -143.06 -151.51 5.5 Favored Glycine 0 CA--C 1.571 3.567 0 CA-C-N 124.291 3.223 . . . . 0.0 112.938 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -123.8 -2.45 8.3 Favored 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 172.23 21.52 0.02 OUTLIER Glycine 0 N--CA 1.497 2.727 0 CA-C-N 123.183 2.719 . . . . 0.0 118.414 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -159.91 150.13 18.6 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 119.52 1.66 . . . . 0.0 109.709 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 4.0 t -99.86 122.21 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 120.795 -1.191 . . . . 0.0 107.818 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 83.6 p -99.94 173.37 6.7 Favored 'General case' 0 CA--C 1.559 1.29 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.62 -46.48 63.62 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -41.54 93.3 Favored 'General case' 0 CA--C 1.576 1.975 0 CA-C-N 120.346 1.43 . . . . 0.0 112.606 174.662 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -74.24 -19.91 60.35 Favored 'General case' 0 N--CA 1.509 2.476 0 CA-C-N 121.709 2.05 . . . . 0.0 113.822 176.17 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 107' ' ' LEU . 1.2 t80 -66.82 -56.11 11.88 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 125.919 1.688 . . . . 0.0 109.432 173.803 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.417 ' H ' ' HG ' ' A' ' 163' ' ' LEU . 0.2 OUTLIER -80.06 -51.83 8.54 Favored 'General case' 0 CA--C 1.579 2.08 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 177.64 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -79.95 -27.96 39.72 Favored 'General case' 0 CA--C 1.589 2.469 0 N-CA-C 118.123 2.638 . . . . 0.0 118.123 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.25 8.0 tp . . . . . 0 N--CA 1.518 2.93 0 C-N-CA 129.64 3.176 . . . . 0.0 119.509 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.7 m-30 . . . . . 0 N--CA 1.497 1.876 0 CA-C-O 117.477 -1.249 . . . . 0.0 113.605 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -57.43 -40.44 92.15 Favored Glycine 0 N--CA 1.497 2.752 0 CA-C-N 120.975 1.716 . . . . 0.0 113.178 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.35 -51.92 65.68 Favored 'General case' 0 CA--C 1.581 2.153 0 C-N-CA 124.066 0.946 . . . . 0.0 111.089 175.326 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -56.52 -46.0 80.82 Favored 'General case' 0 CA--C 1.587 2.381 0 O-C-N 121.002 -1.061 . . . . 0.0 112.108 174.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 36.6 tp -62.67 -48.92 77.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.777 -1.202 . . . . 0.0 111.46 175.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.64 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 3.1 m -58.79 -39.45 81.13 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 123.795 0.838 . . . . 0.0 112.049 176.534 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.23 -48.8 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 C-N-CA 124.659 1.184 . . . . 0.0 111.38 175.798 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -72.87 -41.31 64.85 Favored 'General case' 0 CA--C 1.586 2.353 0 CA-C-N 118.895 0.77 . . . . 0.0 112.156 175.081 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.64 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 55.3 p -62.2 -45.56 92.81 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 125.035 1.334 . . . . 0.0 113.649 178.473 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -50.01 -36.18 27.58 Favored 'General case' 0 N--CA 1.503 2.198 0 CA-C-N 121.249 1.84 . . . . 0.0 115.091 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.32 -10.09 28.62 Favored 'General case' 0 CA--C 1.58 2.102 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 176.652 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 12.7 tpt -143.34 63.56 1.36 Allowed 'General case' 0 CA--C 1.579 2.062 0 CA-C-N 121.343 1.883 . . . . 0.0 113.186 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.9 t 58.14 177.4 0.06 Allowed 'General case' 0 N--CA 1.505 2.305 0 N-CA-C 118.948 2.944 . . . . 0.0 118.948 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.59 176.12 0.22 Allowed 'General case' 0 N--CA 1.505 2.293 0 C-N-CA 126.356 1.862 . . . . 0.0 114.897 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.13 162.7 33.53 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -126.58 -141.83 0.28 Allowed 'General case' 0 CA--C 1.584 2.253 0 O-C-N 121.248 -0.908 . . . . 0.0 111.849 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 44.3 p 86.08 96.37 0.03 OUTLIER 'General case' 0 N--CA 1.507 2.404 0 C-N-CA 126.858 2.063 . . . . 0.0 112.111 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.259 0.0 OUTLIER 47.73 163.82 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 119.098 2.999 . . . . 0.0 119.098 179.783 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.271 1.5 pt-20 66.92 -44.16 0.44 Allowed 'General case' 0 N--CA 1.533 3.705 0 CA-C-N 123.137 2.698 . . . . 0.0 112.626 -172.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -34.38 52.06 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 126.263 1.825 . . . . 0.0 112.575 173.482 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.0 tp -58.04 -48.81 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-N 121.206 1.821 . . . . 0.0 109.848 174.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.464 ' HA ' ' HE1' ' A' ' 162' ' ' PHE . 0.4 OUTLIER -67.41 -43.5 81.1 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 117.931 -1.033 . . . . 0.0 113.604 177.314 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -66.79 -45.97 76.74 Favored 'General case' 0 CA--C 1.562 1.419 0 CA-C-O 116.688 -1.625 . . . . 0.0 112.591 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.52 88.27 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 122.252 2.297 . . . . 0.0 114.862 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.522 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 16.1 t80 -70.67 -45.62 64.74 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 117.167 -1.397 . . . . 0.0 111.873 177.659 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -66.68 -33.35 75.44 Favored 'General case' 0 CA--C 1.576 1.964 0 CA-C-O 116.52 -1.705 . . . . 0.0 111.925 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.03 -33.76 75.19 Favored 'General case' 0 CA--C 1.579 2.071 0 CA-C-N 123.204 2.729 . . . . 0.0 110.998 172.57 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.24 -44.76 88.43 Favored 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -91.84 61.44 4.13 Favored 'General case' 0 CA--C 1.596 2.714 0 CA-C-N 118.793 0.724 . . . . 0.0 111.939 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -52.91 -17.39 1.38 Allowed 'General case' 0 N--CA 1.515 2.795 0 O-C-N 118.285 -2.76 . . . . 0.0 117.066 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -88.51 -5.87 57.95 Favored 'General case' 0 CA--C 1.583 2.249 0 CA-C-N 121.797 2.09 . . . . 0.0 111.552 175.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 68.59 55.82 0.47 Allowed 'General case' 0 CA--C 1.586 2.347 0 CA-C-O 125.941 2.781 . . . . 0.0 114.143 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 72.5 p -117.69 -42.34 2.86 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 111.839 -2.437 . . . . 0.0 109.77 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 77.31 49.59 7.3 Favored Glycine 0 N--CA 1.48 1.595 0 N-CA-C 117.158 1.623 . . . . 0.0 117.158 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.8 109.98 5.63 Favored 'General case' 0 CA--C 1.569 1.71 0 CA-C-N 118.926 1.363 . . . . 0.0 110.229 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.5 mp -110.49 127.57 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.8 p -99.95 166.75 10.9 Favored 'General case' 0 CA--C 1.58 2.118 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.727 176.202 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -50.74 -38.3 46.85 Favored 'General case' 0 N--CA 1.514 2.762 0 O-C-N 120.325 -1.484 . . . . 0.0 114.697 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -48.61 80.87 Favored 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 124.127 0.971 . . . . 0.0 112.765 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -30.19 69.17 Favored 'General case' 0 CA--C 1.59 2.494 0 O-C-N 121.558 -0.714 . . . . 0.0 110.816 176.805 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.63 -43.88 98.03 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 120.919 1.691 . . . . 0.0 110.732 173.446 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.324 11.8 ptpt -67.64 -32.96 74.01 Favored 'General case' 0 CA--C 1.584 2.25 0 CA-C-N 121.696 2.043 . . . . 0.0 110.403 175.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 64.4 mmt-85 -56.28 -53.56 55.74 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-N 120.953 1.706 . . . . 0.0 109.812 171.668 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.422 HG12 ' HG ' ' A' ' 133' ' ' LEU 0.319 0.7 OUTLIER -65.71 -32.23 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 CA-C-N 119.207 0.912 . . . . 0.0 111.772 179.052 . . . . . . . . 4 4 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.34 -42.62 66.94 Favored 'General case' 0 CA--C 1.574 1.889 0 O-C-N 120.33 -1.481 . . . . 0.0 111.556 173.616 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -64.81 -46.5 81.77 Favored 'General case' 0 CA--C 1.589 2.471 0 CA-C-N 118.389 0.541 . . . . 0.0 111.053 171.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -74.56 -31.93 62.25 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 120.459 3.503 . . . . 0.0 120.459 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.422 ' HG ' HG12 ' A' ' 129' ' ' VAL . 15.5 mt -55.07 -70.39 0.11 Allowed 'General case' 0 N--CA 1.49 1.531 0 CA-C-N 121.047 1.749 . . . . 0.0 115.641 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -157.11 -49.13 0.01 OUTLIER Glycine 0 CA--C 1.546 2.029 0 CA-C-N 113.018 -1.901 . . . . 0.0 114.866 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.71 143.02 26.17 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 120.024 1.912 . . . . 0.0 110.014 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -81.55 113.31 19.49 Favored 'General case' 0 CA--C 1.562 1.426 0 O-C-N 120.407 -1.433 . . . . 0.0 110.576 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.25 10.9 tp -86.12 -113.52 0.04 OUTLIER 'General case' 0 CA--C 1.57 1.716 0 CA-C-O 117.493 -1.241 . . . . 0.0 108.948 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.7 t -152.34 158.14 42.31 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 122.789 2.54 . . . . 0.0 110.47 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -40.94 -49.41 3.25 Favored 'General case' 0 CA--C 1.567 1.631 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.0 -42.91 97.03 Favored 'General case' 0 CA--C 1.575 1.914 0 C-N-CA 125.67 1.588 . . . . 0.0 112.481 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.19 -54.34 48.05 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 123.84 0.856 . . . . 0.0 110.414 174.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.2 mt -56.48 -35.38 67.9 Favored 'General case' 0 CA--C 1.571 1.788 0 O-C-N 121.046 -1.034 . . . . 0.0 112.684 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -70.52 -36.71 73.91 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.319 179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -62.83 -39.6 94.83 Favored 'General case' 0 CA--C 1.586 2.345 0 CA-C-N 120.391 1.45 . . . . 0.0 109.722 173.472 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -36.62 83.87 Favored 'General case' 0 CA--C 1.589 2.468 0 CA-C-N 119.216 0.916 . . . . 0.0 111.306 173.147 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 1.0 OUTLIER -62.69 -54.2 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 119.86 -1.775 . . . . 0.0 109.812 173.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -55.15 -40.13 70.28 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -67.19 -39.1 86.33 Favored 'General case' 0 CA--C 1.593 2.612 0 CA-C-N 119.965 1.257 . . . . 0.0 112.201 172.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.41 -41.63 47.08 Favored 'General case' 0 CA--C 1.579 2.087 0 N-CA-C 119.662 3.208 . . . . 0.0 119.662 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -73.09 54.04 0.38 Allowed 'General case' 0 CA--C 1.584 2.286 0 C-N-CA 127.107 2.163 . . . . 0.0 115.823 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.286 0.1 OUTLIER -52.59 -27.53 17.25 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 119.433 3.124 . . . . 0.0 119.433 -178.46 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -79.76 -40.73 28.1 Favored 'General case' 0 CA--C 1.587 2.377 0 CA-C-O 117.69 -1.148 . . . . 0.0 109.636 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 115.54 136.0 5.89 Favored Glycine 0 CA--C 1.559 2.788 0 N-CA-C 118.673 2.229 . . . . 0.0 118.673 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . 0.266 17.1 t70 126.19 -62.22 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.532 0 C-N-CA 127.82 2.448 . . . . 0.0 109.721 177.222 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 154.7 39.6 0.02 OUTLIER Glycine 0 N--CA 1.488 2.157 0 N-CA-C 118.814 2.285 . . . . 0.0 118.814 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -153.63 138.6 17.23 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 123.134 1.445 . . . . 0.0 109.722 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.79 123.39 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.847 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 70.1 m -99.9 171.58 7.77 Favored 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 121.64 0.733 . . . . 0.0 112.548 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.46 -49.99 66.25 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 179.094 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.478 ' HA ' HD11 ' A' ' 163' ' ' LEU . 7.1 pt20 -60.04 -34.74 73.8 Favored 'General case' 0 CA--C 1.576 1.96 0 CA-C-N 120.441 1.473 . . . . 0.0 114.282 176.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.4 -22.22 44.6 Favored 'General case' 0 N--CA 1.503 2.212 0 CA-C-N 120.275 1.398 . . . . 0.0 112.073 175.251 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -65.13 -56.71 11.39 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 125.98 1.712 . . . . 0.0 110.327 175.319 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 160' ' ' GLN . 0.3 OUTLIER -80.06 -52.01 8.33 Favored 'General case' 0 CA--C 1.577 2.011 0 CA-C-O 118.238 -0.887 . . . . 0.0 112.195 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -80.1 -33.61 38.64 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 118.123 2.638 . . . . 0.0 118.123 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.262 5.6 tp . . . . . 0 N--CA 1.517 2.898 0 N-CA-C 118.821 2.897 . . . . 0.0 118.821 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.512 2.637 0 N-CA-C 119.748 3.24 . . . . 0.0 119.748 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.63 -37.84 42.67 Favored Glycine 0 N--CA 1.499 2.881 0 C-N-CA 125.19 1.376 . . . . 0.0 114.407 176.126 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -53.84 -58.32 7.68 Favored 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 126.154 1.782 . . . . 0.0 111.193 172.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -57.76 -43.67 85.6 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 120.816 1.644 . . . . 0.0 111.171 175.275 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.1 tp -60.33 -50.8 72.2 Favored 'General case' 0 CA--C 1.565 1.541 0 O-C-N 121.128 -0.982 . . . . 0.0 111.796 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.8 m -59.62 -41.57 90.69 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-N 119.207 0.912 . . . . 0.0 112.725 176.265 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.99 -47.13 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 C-N-CA 124.614 1.166 . . . . 0.0 112.515 176.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.862 ' HG2' HD23 ' A' ' 133' ' ' LEU . 18.4 tpp -78.27 -41.48 33.86 Favored 'General case' 0 CA--C 1.572 1.8 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 177.635 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.0 p -74.79 -48.69 24.02 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -59.14 -27.29 65.49 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 117.581 2.438 . . . . 0.0 117.581 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -64.8 -37.67 88.41 Favored 'General case' 0 N--CA 1.505 2.31 0 CA-C-N 121.288 1.858 . . . . 0.0 112.218 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.8 tpt -120.02 -105.62 0.38 Allowed 'General case' 0 CA--C 1.574 1.882 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.8 p -171.8 116.82 0.39 Allowed 'General case' 0 N--CA 1.496 1.86 0 CA-C-N 121.03 1.741 . . . . 0.0 111.35 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -149.58 -86.66 0.08 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.139 -0.976 . . . . 0.0 109.439 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -113.52 154.19 27.49 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-N 120.654 1.57 . . . . 0.0 112.249 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -97.55 -104.09 0.19 Allowed 'General case' 0 CA--C 1.577 1.988 0 O-C-N 121.775 -0.578 . . . . 0.0 112.34 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.3 m -154.41 156.92 37.7 Favored 'General case' 0 N--CA 1.501 2.119 0 CA-C-N 120.62 1.555 . . . . 0.0 111.849 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.31 153.11 0.14 Allowed 'General case' 0 N--CA 1.51 2.544 0 C-N-CA 126.213 1.805 . . . . 0.0 111.105 -178.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 69.93 -63.81 0.38 Allowed 'General case' 0 N--CA 1.524 3.228 0 CA-C-N 123.222 2.737 . . . . 0.0 112.529 -176.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -67.45 -20.0 65.44 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-O 116.514 -1.708 . . . . 0.0 113.007 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -46.68 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 CA-C-N 123.395 2.816 . . . . 0.0 110.18 174.271 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -42.65 68.08 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.268 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -44.06 79.29 Favored 'General case' 0 CA--C 1.566 1.588 0 CA-C-O 116.936 -1.507 . . . . 0.0 111.705 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.94 78.96 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 122.104 2.229 . . . . 0.0 112.929 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.466 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 6.6 t80 -65.0 -41.71 95.15 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 121.309 1.868 . . . . 0.0 112.618 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -65.47 -38.24 89.19 Favored 'General case' 0 CA--C 1.576 1.975 0 CA-C-O 116.882 -1.532 . . . . 0.0 111.783 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.3 pp -72.83 -29.87 63.58 Favored 'General case' 0 CA--C 1.576 1.97 0 CA-C-N 122.177 2.262 . . . . 0.0 112.388 173.272 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.4 -42.72 70.78 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 124.992 1.317 . . . . 0.0 112.961 173.428 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -87.07 80.38 8.38 Favored 'General case' 0 CA--C 1.59 2.485 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.053 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -49.9 -17.46 0.38 Allowed 'General case' 0 CA--C 1.596 2.741 0 N-CA-C 117.484 2.402 . . . . 0.0 117.484 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -103.67 8.92 37.43 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-N 120.813 1.642 . . . . 0.0 112.622 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 69.34 -11.62 0.47 Allowed 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 119.338 3.088 . . . . 0.0 119.338 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.6 t -65.87 -18.37 65.29 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 116.504 2.039 . . . . 0.0 116.504 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 67.46 62.57 4.28 Favored Glycine 0 CA--C 1.541 1.661 0 N-CA-C 119.637 2.615 . . . . 0.0 119.637 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -147.78 109.9 4.55 Favored 'General case' 0 CA--C 1.566 1.577 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 177.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.5 mp -101.64 129.05 53.44 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.688 0 O-C-N 120.997 -1.065 . . . . 0.0 109.731 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.0 p -104.53 171.74 7.17 Favored 'General case' 0 CA--C 1.579 2.091 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.421 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -56.18 -36.95 68.94 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -62.47 -43.9 97.69 Favored 'General case' 0 CA--C 1.577 1.993 0 O-C-N 120.706 -1.246 . . . . 0.0 112.006 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -33.44 75.99 Favored 'General case' 0 CA--C 1.588 2.406 0 O-C-N 120.614 -1.304 . . . . 0.0 109.577 175.484 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.0 mt -55.75 -44.65 77.8 Favored 'General case' 0 N--CA 1.504 2.227 0 CA-C-N 120.863 1.665 . . . . 0.0 110.914 172.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -56.4 -48.69 76.4 Favored 'General case' 0 CA--C 1.572 1.812 0 C-N-CA 124.038 0.935 . . . . 0.0 111.498 175.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -46.17 89.33 Favored 'General case' 0 N--CA 1.505 2.316 0 CA-C-N 119.279 0.945 . . . . 0.0 112.764 176.706 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.717 ' O ' HD22 ' A' ' 133' ' ' LEU 0.279 1.9 t -69.72 -37.45 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 CA-C-O 117.008 -1.472 . . . . 0.0 110.304 179.336 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.439 ' CB ' HD13 ' A' ' 137' ' ' LEU . . . -49.78 -48.69 50.33 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-N 121.435 1.925 . . . . 0.0 113.004 174.323 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -27.97 66.55 Favored 'General case' 0 CA--C 1.593 2.602 0 CA-C-N 119.607 1.094 . . . . 0.0 112.221 172.672 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.57 -54.96 23.86 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.862 HD23 ' HG2' ' A' ' 93' ' ' MET 0.363 0.8 OUTLIER -44.19 -52.48 7.33 Favored 'General case' 0 CA--C 1.569 1.708 0 N-CA-C 117.198 2.295 . . . . 0.0 117.198 176.088 . . . . . . . . 4 4 . 1 . 011 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 137.42 -47.64 0.94 Allowed Glycine 0 N--CA 1.491 2.319 0 CA-C-N 114.532 -1.213 . . . . 0.0 112.915 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -83.15 138.45 33.65 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -89.26 171.53 9.72 Favored 'General case' 0 CA--C 1.575 1.914 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -176.147 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.654 HD12 HD11 ' A' ' 142' ' ' LEU 0.289 0.3 OUTLIER -108.07 -172.79 2.13 Favored 'General case' 0 CA--C 1.559 1.311 1 N-CA-C 121.82 4.008 . . . . 0.0 121.82 -173.776 . . . . . . . . 5 4 . 1 . 011 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 9.2 t -156.23 138.87 15.07 Favored 'General case' 0 CA--C 1.562 1.427 0 N-CA-C 105.468 -2.049 . . . . 0.0 105.468 170.695 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -43.65 -43.05 5.58 Favored 'General case' 0 CA--C 1.574 1.885 0 N-CA-C 117.743 2.497 . . . . 0.0 117.743 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -61.44 -50.92 70.85 Favored 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 127.414 2.286 . . . . 0.0 112.58 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -47.0 84.29 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 120.678 1.581 . . . . 0.0 110.706 176.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.654 HD11 HD12 ' A' ' 137' ' ' LEU . 5.4 mt -57.36 -44.21 84.15 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-N 121.215 1.825 . . . . 0.0 114.234 177.469 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.262 0.1 OUTLIER -70.17 -35.14 73.79 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 120.257 1.39 . . . . 0.0 112.285 178.582 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.93 -40.48 95.64 Favored 'General case' 0 CA--C 1.585 2.315 0 CA-C-N 120.746 1.612 . . . . 0.0 110.465 173.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.3 mmt -61.35 -41.78 97.62 Favored 'General case' 0 CA--C 1.576 1.963 0 C-N-CA 123.845 0.858 . . . . 0.0 110.834 174.191 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 10.0 mm -59.2 -56.33 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-O 116.876 -1.535 . . . . 0.0 110.607 175.293 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -56.9 -42.29 79.64 Favored 'General case' 0 N--CA 1.505 2.289 0 CA-C-N 120.988 1.722 . . . . 0.0 113.125 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -66.87 -31.82 72.68 Favored 'General case' 0 CA--C 1.597 2.777 0 CA-C-N 120.719 1.6 . . . . 0.0 113.691 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.03 -44.53 19.97 Favored 'General case' 0 CA--C 1.579 2.083 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.289 25.3 t0 -79.81 67.33 5.56 Favored 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 127.719 2.408 . . . . 0.0 109.986 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.28 0.0 OUTLIER -64.61 -26.32 68.35 Favored 'General case' 0 CA--C 1.563 1.444 0 O-C-N 117.61 -3.181 . . . . 0.0 119.21 -173.57 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.89 -24.75 60.89 Favored 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 120.312 1.415 . . . . 0.0 111.905 171.972 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 88.83 36.65 7.69 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 119.361 2.504 . . . . 0.0 119.361 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -103.47 3.54 35.03 Favored 'General case' 0 CA--C 1.584 2.286 0 CA-C-N 119.07 1.435 . . . . 0.0 114.485 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 92.21 9.71 61.7 Favored Glycine 0 CA--C 1.554 2.476 0 CA-C-N 121.304 1.866 . . . . 0.0 117.095 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -158.09 152.32 24.36 Favored 'General case' 0 CA--C 1.575 1.913 0 CA-C-N 120.054 1.927 . . . . 0.0 112.014 -177.342 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 7.2 t -99.73 123.6 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.509 0 O-C-N 119.835 -1.791 . . . . 0.0 107.932 -174.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.84 173.94 6.44 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-O 123.055 1.407 . . . . 0.0 113.026 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.42 -50.0 53.13 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 116.21 -1.852 . . . . 0.0 115.943 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.447 ' HA ' ' CD2' ' A' ' 163' ' ' LEU . 0.0 OUTLIER -63.31 -33.96 76.65 Favored 'General case' 0 CA--C 1.576 1.969 0 CA-C-N 122.79 2.541 . . . . 0.0 113.791 177.09 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -27.17 60.3 Favored 'General case' 0 CA--C 1.584 2.25 0 CA-C-N 121.282 1.855 . . . . 0.0 112.055 173.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -61.81 -59.88 4.49 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 126.5 1.92 . . . . 0.0 111.578 175.122 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -80.08 -57.41 3.64 Favored 'General case' 0 CA--C 1.573 1.838 0 CA-C-O 118.093 -0.956 . . . . 0.0 113.083 179.245 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -80.2 -60.12 2.45 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 119.555 3.169 . . . . 0.0 119.555 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.275 0.2 OUTLIER . . . . . 0 CA--C 1.579 2.076 1 C-N-CA 132.694 4.398 . . . . 0.0 106.588 -176.522 . . . . . . . . 3 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 115.748 1.758 . . . . 0.0 115.748 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -59.79 -50.6 65.99 Favored Glycine 0 N--CA 1.496 2.667 0 CA-C-N 121.706 2.048 . . . . 0.0 115.522 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.78 -52.57 56.19 Favored 'General case' 0 CA--C 1.577 2.007 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.37 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -54.77 -38.1 66.81 Favored 'General case' 0 N--CA 1.505 2.322 0 C-N-CA 124.082 0.953 . . . . 0.0 112.031 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.67 -52.07 65.83 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.372 1.069 . . . . 0.0 110.973 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.2 m -54.86 -42.72 72.37 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 177.178 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.2 t -67.88 -38.35 79.94 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.485 0 C-N-CA 124.647 1.179 . . . . 0.0 109.798 175.263 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -61.46 -48.02 83.05 Favored 'General case' 0 N--CA 1.5 2.029 0 C-N-CA 125.404 1.482 . . . . 0.0 112.308 174.64 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 67.2 p -50.14 -39.19 42.5 Favored 'General case' 0 N--CA 1.509 2.506 0 C-N-CA 125.686 1.594 . . . . 0.0 113.243 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -53.28 -31.34 43.35 Favored 'General case' 0 CA--C 1.586 2.339 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 174.643 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -99.83 -45.11 5.84 Favored 'General case' 0 CA--C 1.57 1.728 0 C-N-CA 124.925 1.29 . . . . 0.0 112.317 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 47.3 ttm -141.86 136.33 30.44 Favored 'General case' 0 CA--C 1.568 1.662 0 CA-C-N 120.095 1.316 . . . . 0.0 111.289 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.4 t 83.68 159.89 0.12 Allowed 'General case' 0 N--CA 1.505 2.3 0 C-N-CA 126.012 1.725 . . . . 0.0 114.978 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.44 162.27 20.91 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 77.3 1.89 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.516 -1.365 . . . . 0.0 113.785 -178.566 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.74 -168.23 1.79 Allowed 'General case' 0 CA--C 1.577 2.014 0 CA-C-O 122.333 1.063 . . . . 0.0 112.719 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.7 t -159.44 143.31 14.83 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 118.926 -2.358 . . . . 0.0 111.184 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.92 156.35 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.596 0 C-N-CA 126.922 2.089 . . . . 0.0 114.113 -178.022 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 68.6 -47.99 0.56 Allowed 'General case' 0 N--CA 1.533 3.713 0 CA-C-N 123.598 2.908 . . . . 0.0 111.278 -172.63 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -59.07 -25.76 64.04 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 127.344 2.258 . . . . 0.0 113.422 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -42.57 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.681 0 CA-C-N 122.309 2.322 . . . . 0.0 110.107 171.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.479 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 22.9 mt -70.65 -42.19 71.15 Favored 'General case' 0 CA--C 1.566 1.57 0 CA-C-O 118.939 -0.553 . . . . 0.0 112.415 178.541 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -65.48 -42.02 92.67 Favored 'General case' 0 CA--C 1.57 1.717 0 CA-C-N 119.955 1.252 . . . . 0.0 111.358 174.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.65 85.41 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 120.558 1.527 . . . . 0.0 113.663 177.378 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.483 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 0.4 OUTLIER -66.94 -44.58 80.24 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 119.7 1.136 . . . . 0.0 111.077 175.528 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -65.39 -34.55 78.57 Favored 'General case' 0 CA--C 1.575 1.922 0 CA-C-O 117.466 -1.254 . . . . 0.0 112.734 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 pp -71.83 -28.69 63.74 Favored 'General case' 0 CA--C 1.574 1.893 0 CA-C-N 122.0 2.182 . . . . 0.0 110.746 171.748 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -36.54 68.85 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 119.435 1.016 . . . . 0.0 112.065 171.38 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -70.8 54.42 0.16 Allowed 'General case' 0 CA--C 1.597 2.753 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -53.6 -21.83 7.42 Favored 'General case' 0 N--CA 1.516 2.862 0 O-C-N 118.365 -2.71 . . . . 0.0 115.226 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -94.42 -25.1 17.07 Favored 'General case' 0 CA--C 1.589 2.479 0 C-N-CA 124.776 1.23 . . . . 0.0 110.211 176.376 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 77.19 56.3 0.03 OUTLIER 'General case' 0 CA--C 1.58 2.134 0 CA-C-O 126.19 2.9 . . . . 0.0 112.603 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 68.3 p -105.51 -40.2 5.87 Favored 'General case' 0 CA--C 1.569 1.675 0 CA-C-N 111.313 -2.676 . . . . 0.0 108.64 177.462 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.82 33.78 12.22 Favored Glycine 0 N--CA 1.487 2.04 0 N-CA-C 118.091 1.996 . . . . 0.0 118.091 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.9 126.4 5.53 Favored 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.5 mp -99.93 124.53 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 CA-C-O 123.152 1.454 . . . . 0.0 107.392 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 58.3 p -99.97 165.52 11.5 Favored 'General case' 0 CA--C 1.583 2.249 0 CA-C-N 112.399 -2.182 . . . . 0.0 107.33 175.67 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -53.11 -37.97 62.2 Favored 'General case' 0 N--CA 1.512 2.647 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.11 -39.95 93.82 Favored 'General case' 0 CA--C 1.577 2.013 0 O-C-N 121.267 -0.896 . . . . 0.0 112.154 178.35 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.62 -36.1 82.72 Favored 'General case' 0 CA--C 1.583 2.241 0 CA-C-N 120.678 1.581 . . . . 0.0 109.433 175.148 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.63 -46.89 70.65 Favored 'General case' 0 N--CA 1.507 2.415 0 CA-C-N 120.184 1.357 . . . . 0.0 110.227 172.248 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -56.93 -46.44 82.03 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 124.608 1.163 . . . . 0.0 111.817 174.413 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.3 mtm105 -57.17 -52.29 65.91 Favored 'General case' 0 N--CA 1.506 2.348 0 CA-C-N 119.548 1.067 . . . . 0.0 111.678 176.009 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.4 HG12 HD12 ' A' ' 133' ' ' LEU . 48.8 t -62.78 -44.69 99.7 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.44 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.173 178.326 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.77 -45.26 86.2 Favored 'General case' 0 CA--C 1.576 1.949 0 CA-C-N 119.884 1.22 . . . . 0.0 113.225 174.763 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -64.86 -48.9 72.61 Favored 'General case' 0 CA--C 1.567 1.599 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 176.006 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.67 -34.35 73.84 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.4 HD12 HG12 ' A' ' 129' ' ' VAL . 23.2 mt -79.07 -56.74 4.15 Favored 'General case' 0 CA--C 1.574 1.889 0 C-N-CA 124.908 1.283 . . . . 0.0 113.484 176.729 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 140.18 -16.07 2.99 Favored Glycine 0 CA--C 1.562 2.969 0 C-N-CA 125.447 1.498 . . . . 0.0 114.454 -176.416 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -71.22 60.15 0.28 Allowed 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 125.889 1.675 . . . . 0.0 114.465 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -76.59 -41.7 45.27 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 119.198 -2.189 . . . . 0.0 116.673 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.27 0.0 OUTLIER 34.77 -107.23 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.512 0 CA-C-N 121.177 1.808 . . . . 0.0 112.365 -179.479 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.0 t -158.86 164.32 35.83 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 122.443 2.383 . . . . 0.0 108.31 174.719 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -42.27 -49.96 4.99 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-N 111.53 -2.577 . . . . 0.0 116.228 176.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -63.92 -39.38 94.03 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 125.723 1.609 . . . . 0.0 113.222 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -59.07 -54.23 49.38 Favored 'General case' 0 N--CA 1.507 2.387 0 CA-C-N 119.939 1.245 . . . . 0.0 109.936 174.411 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mt -59.72 -38.2 81.01 Favored 'General case' 0 CA--C 1.578 2.031 0 O-C-N 120.948 -1.095 . . . . 0.0 112.533 175.058 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 4.0 tp-100 -69.99 -39.14 76.08 Favored 'General case' 0 CA--C 1.562 1.433 0 CA-C-O 116.682 -1.628 . . . . 0.0 111.407 -178.922 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.69 -33.6 76.01 Favored 'General case' 0 CA--C 1.581 2.138 0 CA-C-N 121.584 1.993 . . . . 0.0 109.921 173.361 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.3 mmt -59.75 -45.55 91.88 Favored 'General case' 0 CA--C 1.593 2.605 0 CA-C-N 121.203 1.819 . . . . 0.0 109.523 171.429 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 4.9 mm -58.23 -54.48 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 C-N-CA 124.398 1.079 . . . . 0.0 111.052 174.116 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -42.34 50.24 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -32.84 64.58 Favored 'General case' 0 CA--C 1.588 2.438 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.509 ' HB1' HG22 ' A' ' 157' ' ' VAL . . . -78.5 -42.49 29.46 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 118.79 2.885 . . . . 0.0 118.79 178.072 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.321 36.3 t0 -63.02 72.95 0.02 OUTLIER 'General case' 0 CA--C 1.591 2.551 0 C-N-CA 127.661 2.385 . . . . 0.0 112.987 -178.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -39.96 -50.09 2.5 Favored 'General case' 0 C--N 1.368 1.374 0 N-CA-C 121.506 3.891 . . . . 0.0 121.506 -175.793 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -102.68 4.84 38.6 Favored 'General case' 0 CA--C 1.581 2.163 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 83.39 31.22 28.34 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 122.308 3.683 . . . . 0.0 122.308 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -91.26 -20.71 21.62 Favored 'General case' 0 CA--C 1.581 2.156 0 CA-C-N 120.873 2.336 . . . . 0.0 115.662 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 112.63 9.91 18.04 Favored Glycine 0 CA--C 1.557 2.7 0 N-CA-C 116.879 1.512 . . . . 0.0 116.879 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -149.52 152.37 35.47 Favored 'General case' 0 CA--C 1.573 1.857 0 CA-C-O 123.9 1.809 . . . . 0.0 112.106 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.509 HG22 ' HB1' ' A' ' 149' ' ' ALA . 6.1 t -99.89 119.34 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.221 0 N-CA-C 104.501 -2.407 . . . . 0.0 104.501 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 58.1 m -99.92 170.95 8.16 Favored 'General case' 0 CA--C 1.566 1.573 0 CA-C-O 122.185 0.993 . . . . 0.0 112.99 -177.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.72 -45.07 77.99 Favored 'General case' 0 N--CA 1.507 2.379 0 CA-C-O 117.134 -1.412 . . . . 0.0 112.814 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -37.59 79.64 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 122.715 2.507 . . . . 0.0 114.586 175.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.282 3.3 tp10 -73.44 -32.79 64.58 Favored 'General case' 0 CA--C 1.587 2.403 0 CA-C-N 122.567 2.44 . . . . 0.0 110.863 174.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -57.86 -57.12 14.19 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.699 1.59 . . . . 0.0 112.292 176.46 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 163' ' ' LEU 0.258 1.7 pp -80.11 -43.09 22.31 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-O 117.669 -1.158 . . . . 0.0 113.699 178.351 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -80.1 -34.81 37.65 Favored 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.7 tp . . . . . 0 N--CA 1.518 2.968 0 N-CA-C 118.505 2.78 . . . . 0.0 118.505 -179.28 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . 0.272 34.5 m-85 . . . . . 0 N--CA 1.508 2.44 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -56.0 -46.62 84.07 Favored Glycine 0 N--CA 1.5 2.946 0 CA-C-N 122.09 2.223 . . . . 0.0 113.5 174.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.89 -56.36 23.26 Favored 'General case' 0 CA--C 1.577 1.999 0 C-N-CA 124.573 1.149 . . . . 0.0 111.509 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -49.38 -48.68 46.73 Favored 'General case' 0 CA--C 1.586 2.349 0 CA-C-N 119.587 1.085 . . . . 0.0 113.047 176.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 44.7 tp -62.6 -47.94 81.58 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.186 0.595 . . . . 0.0 111.885 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.99 -46.54 82.17 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.634 176.369 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.3 t -51.71 -48.73 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.179 0 C-N-CA 125.126 1.37 . . . . 0.0 111.751 176.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.549 ' HG2' HD13 ' A' ' 133' ' ' LEU . 0.0 OUTLIER -63.71 -45.12 91.39 Favored 'General case' 0 CA--C 1.578 2.021 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 177.227 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.1 p -79.76 -38.88 32.21 Favored 'General case' 0 N--CA 1.501 2.1 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -70.98 13.67 0.19 Allowed 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 117.688 2.477 . . . . 0.0 117.688 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -51.84 -41.5 61.87 Favored 'General case' 0 CA--C 1.579 2.069 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 34.0 mmt -95.96 -63.07 1.19 Allowed 'General case' 0 CA--C 1.572 1.805 0 C-N-CA 123.924 0.89 . . . . 0.0 109.21 176.468 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.3 t -153.76 -79.93 0.1 Allowed 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 119.252 0.933 . . . . 0.0 108.99 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . 0.283 2.6 mm-40 61.27 -159.74 0.31 Allowed 'General case' 0 CA--C 1.581 2.161 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 178.743 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.23 158.55 39.03 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 118.182 2.66 . . . . 0.0 118.182 -174.63 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -169.83 149.17 3.68 Favored 'General case' 0 CA--C 1.576 1.955 0 CA-C-O 123.073 1.416 . . . . 0.0 109.735 175.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.4 t -175.73 80.05 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.273 0.0 OUTLIER 48.57 -172.43 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.52 0 C-N-CA 126.173 1.789 . . . . 0.0 115.464 -178.369 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 68.99 -50.75 0.59 Allowed 'General case' 0 N--CA 1.526 3.364 0 CA-C-N 122.299 2.318 . . . . 0.0 113.493 -177.285 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -62.34 -25.42 67.89 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 125.715 1.606 . . . . 0.0 113.269 176.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.1 tt -50.35 -47.48 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 CA-C-N 121.447 1.93 . . . . 0.0 111.968 174.449 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.438 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 14.8 mt -72.63 -37.73 67.96 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-N 114.321 -1.309 . . . . 0.0 112.22 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -68.86 -35.99 77.59 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-N 120.459 1.481 . . . . 0.0 111.095 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.72 -52.03 62.32 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 121.507 1.958 . . . . 0.0 112.513 177.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.485 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 2.3 t80 -65.47 -44.96 85.53 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 118.916 0.78 . . . . 0.0 111.838 176.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -65.59 -34.04 77.3 Favored 'General case' 0 CA--C 1.571 1.786 0 CA-C-O 117.198 -1.382 . . . . 0.0 112.31 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . 0.253 41.9 mt -73.42 -20.0 60.83 Favored 'General case' 0 CA--C 1.588 2.405 0 CA-C-N 122.306 2.321 . . . . 0.0 111.245 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -46.0 72.09 Favored 'General case' 0 CA--C 1.572 1.821 0 CA-C-N 121.493 1.951 . . . . 0.0 112.478 171.887 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -86.87 70.23 10.33 Favored 'General case' 0 CA--C 1.59 2.51 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.22 -18.12 0.54 Allowed 'General case' 0 N--CA 1.517 2.905 0 O-C-N 118.399 -2.688 . . . . 0.0 116.539 177.117 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -86.33 -4.71 59.22 Favored 'General case' 0 CA--C 1.584 2.277 0 CA-C-N 121.455 1.934 . . . . 0.0 112.951 176.394 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 81.03 -13.9 0.88 Allowed 'General case' 0 N--CA 1.516 2.831 0 N-CA-C 118.537 2.792 . . . . 0.0 118.537 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 35.2 p -57.81 -37.38 73.69 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 126.907 2.083 . . . . 0.0 113.909 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 72.17 56.26 6.45 Favored Glycine 0 N--CA 1.476 1.355 0 N-CA-C 117.399 1.72 . . . . 0.0 117.399 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -145.29 110.32 5.17 Favored 'General case' 0 CA--C 1.56 1.352 0 N-CA-C 106.047 -1.835 . . . . 0.0 106.047 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.92 122.62 52.01 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.3 p -99.96 168.0 10.14 Favored 'General case' 0 CA--C 1.577 1.99 0 CA-C-N 111.917 -2.402 . . . . 0.0 107.58 176.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -55.21 -36.16 65.65 Favored 'General case' 0 N--CA 1.506 2.363 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -64.26 -41.91 96.73 Favored 'General case' 0 CA--C 1.57 1.719 0 O-C-N 121.343 -0.848 . . . . 0.0 112.345 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -33.94 77.05 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-N 120.205 1.366 . . . . 0.0 109.574 174.527 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 83.9 mt -55.5 -49.26 73.03 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-N 120.062 1.301 . . . . 0.0 111.245 173.766 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -56.04 -52.78 63.02 Favored 'General case' 0 N--CA 1.499 1.993 0 C-N-CA 124.461 1.104 . . . . 0.0 110.851 175.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.4 mmt-85 -49.63 -52.95 27.04 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 123.372 0.669 . . . . 0.0 112.484 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.5 t -71.67 -39.1 68.81 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.516 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.98 -49.07 66.86 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 119.743 1.156 . . . . 0.0 112.85 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -27.42 51.15 Favored 'General case' 0 CA--C 1.578 2.049 0 CA-C-O 117.664 -1.16 . . . . 0.0 113.336 173.775 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -77.37 -34.61 54.98 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 117.772 2.508 . . . . 0.0 117.772 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.549 HD13 ' HG2' ' A' ' 93' ' ' MET . 21.1 mt -70.55 -72.24 0.21 Allowed 'General case' 0 CA--C 1.564 1.519 0 CA-C-N 120.868 1.667 . . . . 0.0 113.42 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 177.14 -45.95 0.1 Allowed Glycine 0 N--CA 1.487 2.057 0 N-CA-C 116.304 1.282 . . . . 0.0 116.304 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.462 ' HB2' ' SD ' ' A' ' 93' ' ' MET . 6.4 mm-40 -101.17 95.14 6.35 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 119.08 1.44 . . . . 0.0 109.386 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.24 117.59 23.63 Favored 'General case' 0 CA--C 1.562 1.43 0 O-C-N 121.448 -0.782 . . . . 0.0 111.548 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.88 -122.93 0.03 OUTLIER 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.499 ' O ' HD13 ' A' ' 142' ' ' LEU . 14.7 t -145.91 163.86 33.8 Favored 'General case' 0 CA--C 1.575 1.906 0 O-C-N 120.678 -1.264 . . . . 0.0 109.827 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . 0.262 0.5 OUTLIER -54.19 -43.11 70.45 Favored 'General case' 0 CA--C 1.602 2.976 0 CA-C-N 115.07 -0.968 . . . . 0.0 113.241 -176.842 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -63.9 -43.46 95.94 Favored 'General case' 0 CA--C 1.569 1.691 0 C-N-CA 128.054 2.542 . . . . 0.0 113.222 175.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -55.69 -52.59 63.35 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 120.877 1.671 . . . . 0.0 109.783 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 138' ' ' THR . 1.3 mp -57.57 -39.16 76.08 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 174.233 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.252 25.8 tp60 -71.28 -35.13 71.24 Favored 'General case' 0 CA--C 1.567 1.614 0 CA-C-N 119.746 1.157 . . . . 0.0 110.66 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -60.69 -40.78 93.43 Favored 'General case' 0 CA--C 1.583 2.248 0 CA-C-N 119.476 1.035 . . . . 0.0 109.424 173.143 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 52.4 mmm -60.64 -40.41 91.85 Favored 'General case' 0 CA--C 1.579 2.076 0 C-N-CA 124.199 1.0 . . . . 0.0 111.648 173.841 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.2 mm -65.05 -58.29 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 125.12 1.368 . . . . 0.0 111.804 175.277 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.46 -36.94 69.61 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.79 -42.37 70.41 Favored 'General case' 0 CA--C 1.591 2.519 0 CA-C-N 119.831 1.196 . . . . 0.0 112.656 172.812 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.599 ' HB1' HG22 ' A' ' 157' ' ' VAL . . . -77.95 9.65 3.45 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 120.116 3.376 . . . . 0.0 120.116 178.816 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.251 0.0 OUTLIER -97.77 21.24 10.74 Favored 'General case' 0 CA--C 1.593 2.621 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 -176.678 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -25.15 63.87 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 119.766 3.247 . . . . 0.0 119.766 -176.706 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -67.63 -23.93 65.41 Favored 'General case' 0 CA--C 1.598 2.809 0 CA-C-N 119.827 1.194 . . . . 0.0 111.068 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 96.36 49.88 1.95 Allowed Glycine 0 N--CA 1.488 2.155 0 N-CA-C 119.924 2.73 . . . . 0.0 119.924 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -135.84 -0.36 2.58 Favored 'General case' 0 CA--C 1.578 2.044 0 CA-C-O 116.905 -1.521 . . . . 0.0 113.759 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 71.31 13.09 73.4 Favored Glycine 0 N--CA 1.509 3.551 0 CA-C-N 123.506 2.866 . . . . 0.0 117.202 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -147.28 174.48 11.59 Favored 'General case' 0 CA--C 1.584 2.26 0 C-N-CA 127.737 2.415 . . . . 0.0 106.505 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.599 HG22 ' HB1' ' A' ' 149' ' ' ALA . 12.2 t -99.92 120.56 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.628 0 O-C-N 117.87 -3.019 . . . . 0.0 105.991 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.94 172.2 7.37 Favored 'General case' 0 CA--C 1.568 1.65 0 CA-C-O 123.613 1.673 . . . . 0.0 112.664 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.25 2.9 pm0 -55.24 -40.33 70.79 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -63.21 -36.74 84.65 Favored 'General case' 0 CA--C 1.583 2.217 0 CA-C-N 120.824 1.647 . . . . 0.0 112.017 175.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -76.75 -20.0 56.99 Favored 'General case' 0 N--CA 1.508 2.439 0 CA-C-N 120.88 1.673 . . . . 0.0 112.3 175.833 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 3.5 t80 -69.8 -54.17 14.88 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 125.74 1.616 . . . . 0.0 109.946 174.549 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -47.07 15.44 Favored 'General case' 0 CA--C 1.582 2.183 0 CA-C-O 118.118 -0.944 . . . . 0.0 112.878 176.849 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -80.07 -21.86 42.9 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 118.413 2.746 . . . . 0.0 118.413 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 3.2 tp . . . . . 0 N--CA 1.522 3.164 0 N-CA-C 118.375 2.732 . . . . 0.0 118.375 -178.698 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 . . . . . 0 N--CA 1.51 2.561 0 N-CA-C 118.75 2.87 . . . . 0.0 118.75 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.18 -49.68 49.16 Favored Glycine 0 N--CA 1.498 2.779 0 CA-C-N 120.781 1.628 . . . . 0.0 114.318 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -57.08 -49.57 75.46 Favored 'General case' 0 CA--C 1.573 1.864 0 C-N-CA 124.264 1.025 . . . . 0.0 113.755 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . 0.268 58.5 t80 -55.45 -45.88 76.82 Favored 'General case' 0 CA--C 1.586 2.365 0 C-N-CA 124.913 1.285 . . . . 0.0 111.979 176.116 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -53.89 50.5 Favored 'General case' 0 CA--C 1.562 1.44 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.906 174.658 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.81 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 6.6 t -59.22 -30.68 68.41 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 119.103 0.865 . . . . 0.0 112.788 177.173 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.3 t -61.43 -47.38 93.7 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 CA-C-N 120.577 1.535 . . . . 0.0 108.928 172.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.415 ' SD ' ' C ' ' A' ' 93' ' ' MET . 1.0 OUTLIER -62.1 -57.13 12.72 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 120.326 1.421 . . . . 0.0 111.517 173.249 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.81 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 51.3 p -50.93 -51.89 47.72 Favored 'General case' 0 N--CA 1.511 2.606 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 -178.724 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 74.6 mt-30 -62.81 -12.91 27.55 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 116.981 2.215 . . . . 0.0 116.981 179.053 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -40.97 69.42 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 120.647 1.567 . . . . 0.0 114.544 177.881 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.8 tpt -113.8 54.68 0.74 Allowed 'General case' 0 CA--C 1.58 2.108 0 C-N-CA 123.65 0.78 . . . . 0.0 109.977 176.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.9 m 65.38 -75.64 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . 0.251 18.4 mm-40 57.29 -115.78 0.9 Allowed 'General case' 0 CA--C 1.578 2.028 0 N-CA-C 114.943 1.461 . . . . 0.0 114.943 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.04 -68.45 0.07 Allowed 'General case' 0 N--CA 1.496 1.875 0 CA-C-N 120.955 1.707 . . . . 0.0 110.017 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 50.28 100.82 0.01 OUTLIER 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 118.404 2.742 . . . . 0.0 118.404 177.327 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.1 t -166.01 86.97 0.36 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.277 -1.515 . . . . 0.0 110.33 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.6 pttm 59.76 177.79 0.09 Allowed 'General case' 0 N--CA 1.512 2.643 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 69.99 -38.9 0.42 Allowed 'General case' 0 N--CA 1.524 3.261 0 O-C-N 119.364 -2.085 . . . . 0.0 111.994 -173.437 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -54.77 -35.6 63.98 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.013 2.125 . . . . 0.0 111.852 175.209 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.3 tt -56.91 -42.42 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.366 0 CA-C-N 121.446 1.93 . . . . 0.0 111.529 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.478 ' HA ' ' HE1' ' A' ' 162' ' ' PHE . 1.2 mp -71.54 -43.23 66.79 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 118.301 -0.857 . . . . 0.0 113.088 176.751 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -66.82 -40.48 88.05 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 120.361 1.437 . . . . 0.0 112.252 175.527 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.23 -49.54 71.54 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 121.145 1.793 . . . . 0.0 113.416 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.51 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 21.3 t80 -67.76 -44.39 77.61 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 120.001 1.273 . . . . 0.0 112.09 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -66.22 -38.19 87.34 Favored 'General case' 0 CA--C 1.579 2.081 0 CA-C-O 116.804 -1.57 . . . . 0.0 111.207 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.3 mt -74.25 -19.95 60.33 Favored 'General case' 0 CA--C 1.58 2.121 0 CA-C-N 122.765 2.529 . . . . 0.0 112.869 175.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -42.44 78.1 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 121.419 1.918 . . . . 0.0 111.53 172.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -85.83 78.79 9.46 Favored 'General case' 0 CA--C 1.592 2.58 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.75 -18.85 0.3 Allowed 'General case' 0 N--CA 1.516 2.835 0 CA-C-N 123.362 2.801 . . . . 0.0 116.909 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -90.14 -2.99 58.15 Favored 'General case' 0 CA--C 1.592 2.581 0 CA-C-N 121.175 1.807 . . . . 0.0 111.564 175.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 71.12 -5.98 1.42 Allowed 'General case' 0 CA--C 1.578 2.057 0 N-CA-C 117.499 2.407 . . . . 0.0 117.499 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.8 p -56.48 -42.93 79.11 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 125.562 1.545 . . . . 0.0 112.697 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 93.83 69.02 1.08 Allowed Glycine 0 CA--C 1.538 1.495 0 N-CA-C 116.941 1.536 . . . . 0.0 116.941 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.87 109.87 3.9 Favored 'General case' 0 CA--C 1.574 1.885 0 CA-C-N 117.86 0.83 . . . . 0.0 109.753 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.26 131.36 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.563 0 CA-C-N 120.806 1.639 . . . . 0.0 109.13 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 64.6 p -107.41 166.0 10.98 Favored 'General case' 0 CA--C 1.581 2.168 0 CA-C-N 113.231 -1.804 . . . . 0.0 107.481 173.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -48.33 -47.23 37.01 Favored 'General case' 0 N--CA 1.512 2.645 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -56.73 -38.12 71.92 Favored 'General case' 0 CA--C 1.579 2.079 0 CA-C-N 114.266 -1.334 . . . . 0.0 113.423 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.09 -37.34 81.1 Favored 'General case' 0 CA--C 1.59 2.501 0 CA-C-N 121.003 1.728 . . . . 0.0 108.882 174.758 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 mt -53.08 -45.72 68.31 Favored 'General case' 0 N--CA 1.518 2.943 0 CA-C-N 120.503 1.501 . . . . 0.0 110.803 172.099 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -56.8 -46.8 81.34 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.747 1.219 . . . . 0.0 111.649 174.087 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -58.25 6.19 Favored 'General case' 0 N--CA 1.505 2.308 0 CA-C-O 121.475 0.655 . . . . 0.0 112.426 175.795 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.6 t -65.4 -34.56 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.455 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.717 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.52 -30.45 70.64 Favored 'General case' 0 CA--C 1.578 2.057 0 CA-C-N 119.033 0.833 . . . . 0.0 112.636 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -43.02 35.55 Favored 'General case' 0 CA--C 1.57 1.723 0 CA-C-O 117.174 -1.393 . . . . 0.0 110.294 173.356 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -54.02 -45.96 71.68 Favored 'General case' 0 N--CA 1.506 2.339 0 CA-C-N 121.199 1.818 . . . . 0.0 113.453 174.411 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.347 5.4 mp -69.77 -65.7 0.68 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 127.193 2.197 . . . . 0.0 111.735 175.217 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.11 -32.29 2.01 Favored Glycine 0 CA--C 1.559 2.825 0 N-CA-C 114.72 0.648 . . . . 0.0 114.72 -176.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.41 68.1 0.75 Allowed 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 125.243 1.417 . . . . 0.0 110.53 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -144.79 -93.39 0.1 Allowed 'General case' 0 CA--C 1.567 1.609 0 O-C-N 120.709 -1.244 . . . . 0.0 111.815 -176.228 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.403 ' CD2' HD23 ' A' ' 142' ' ' LEU 0.254 0.0 OUTLIER -144.69 -146.24 0.18 Allowed 'General case' 0 CA--C 1.582 2.209 0 CA-C-N 120.742 1.61 . . . . 0.0 112.572 -179.214 . . . . . . . . 4 4 . 1 . 014 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.0 t -137.1 171.44 14.5 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 119.972 -1.705 . . . . 0.0 112.222 -177.195 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -39.9 -54.41 2.17 Favored 'General case' 0 CA--C 1.566 1.571 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.34 -47.65 83.27 Favored 'General case' 0 CA--C 1.57 1.737 0 CA-C-N 113.544 -1.662 . . . . 0.0 112.07 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.58 -43.4 98.9 Favored 'General case' 0 CA--C 1.584 2.284 0 C-N-CA 123.706 0.803 . . . . 0.0 111.952 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.403 HD23 ' CD2' ' A' ' 137' ' ' LEU . 50.2 mt -56.08 -45.56 79.33 Favored 'General case' 0 CA--C 1.58 2.12 0 O-C-N 119.786 -1.821 . . . . 0.0 111.313 173.437 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -66.4 -32.95 74.65 Favored 'General case' 0 CA--C 1.573 1.846 0 O-C-N 121.209 -0.932 . . . . 0.0 112.772 177.009 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.81 -44.04 97.66 Favored 'General case' 0 CA--C 1.582 2.196 0 CA-C-N 120.496 1.498 . . . . 0.0 110.173 174.067 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 20.1 ptp -64.55 -34.11 77.48 Favored 'General case' 0 CA--C 1.582 2.183 0 CA-C-N 119.878 1.217 . . . . 0.0 111.448 174.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 6.9 mm -60.29 -60.04 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 CA-C-N 120.582 1.537 . . . . 0.0 109.505 173.344 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.36 -35.3 62.63 Favored 'General case' 0 N--CA 1.506 2.337 0 CA-C-N 119.695 1.134 . . . . 0.0 113.537 -178.217 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -68.94 -40.33 79.04 Favored 'General case' 0 CA--C 1.6 2.871 0 CA-C-N 121.322 1.874 . . . . 0.0 111.788 172.242 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.28 -24.74 50.97 Favored 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 119.286 3.069 . . . . 0.0 119.286 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.83 27.41 0.02 OUTLIER 'General case' 0 CA--C 1.584 2.254 0 N-CA-C 120.799 3.629 . . . . 0.0 120.799 -176.495 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -33.6 57.28 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 118.365 2.728 . . . . 0.0 118.365 -176.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -71.3 -26.5 62.88 Favored 'General case' 0 CA--C 1.578 2.042 0 CA-C-O 116.415 -1.755 . . . . 0.0 113.357 175.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 149.58 138.0 2.86 Favored Glycine 0 CA--C 1.554 2.481 0 CA-C-N 123.241 2.746 . . . . 0.0 119.918 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.55 7.44 0.06 Allowed 'General case' 0 CA--C 1.579 2.076 1 N-CA-C 122.281 4.178 . . . . 0.0 122.281 173.59 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 104.56 41.87 1.95 Allowed Glycine 0 N--CA 1.496 2.669 0 CA-C-N 124.212 3.187 . . . . 0.0 118.038 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.26 145.39 20.51 Favored 'General case' 0 CA--C 1.572 1.82 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.3 t -99.82 121.22 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 C-N-CA 124.137 0.975 . . . . 0.0 109.914 -174.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.7 t -100.22 175.38 5.75 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-O 124.075 1.893 . . . . 0.0 112.109 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -50.05 59.86 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 115.584 -2.15 . . . . 0.0 115.369 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.505 ' HA ' HD11 ' A' ' 163' ' ' LEU . 3.4 pp0? -62.16 -32.28 72.87 Favored 'General case' 0 CA--C 1.573 1.852 0 CA-C-N 123.641 2.928 . . . . 0.0 114.543 178.449 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.431 ' H ' ' HG2' ' A' ' 161' ' ' GLU . 0.5 OUTLIER -75.15 -29.92 60.61 Favored 'General case' 0 CA--C 1.577 1.984 0 CA-C-N 120.616 1.553 . . . . 0.0 111.906 175.038 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.51 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.3 OUTLIER -62.79 -58.43 7.44 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 125.471 1.508 . . . . 0.0 112.787 176.13 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.505 HD11 ' HA ' ' A' ' 160' ' ' GLN . 0.4 OUTLIER -80.07 -33.31 39.03 Favored 'General case' 0 CA--C 1.574 1.897 0 N-CA-C 113.985 1.105 . . . . 0.0 113.985 -178.254 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -75.64 -19.91 58.87 Favored 'General case' 0 CA--C 1.576 1.953 0 CA-C-N 121.45 1.932 . . . . 0.0 116.046 177.576 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 N--CA 1.521 3.095 0 N-CA-C 118.196 2.665 . . . . 0.0 118.196 -179.709 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 117.331 -1.318 . . . . 0.0 114.119 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.12 -45.74 95.45 Favored Glycine 0 N--CA 1.491 2.362 0 CA-C-N 121.567 1.985 . . . . 0.0 115.43 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.5 -55.51 13.27 Favored 'General case' 0 CA--C 1.572 1.812 0 CA-C-O 117.092 -1.432 . . . . 0.0 111.193 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -47.51 -49.31 26.29 Favored 'General case' 0 N--CA 1.507 2.394 0 CA-C-N 120.399 1.454 . . . . 0.0 114.238 177.079 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.25 -47.85 75.31 Favored 'General case' 0 CA--C 1.563 1.443 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.703 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.4 m -57.53 -40.06 77.94 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 175.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.81 -48.13 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 C-N-CA 125.77 1.628 . . . . 0.0 111.621 176.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.553 ' SD ' ' HB3' ' A' ' 135' ' ' GLU . 0.0 OUTLIER -70.48 -41.7 72.36 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 112.837 0.681 . . . . 0.0 112.837 176.932 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 100' ' ' LYS . 80.0 p -67.41 -52.02 44.75 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-O 118.515 -0.755 . . . . 0.0 110.971 177.594 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -58.38 -33.41 69.57 Favored 'General case' 0 CA--C 1.576 1.961 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 177.129 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -79.45 102.04 8.53 Favored 'General case' 0 CA--C 1.568 1.666 0 CA-C-N 119.549 1.068 . . . . 0.0 109.456 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 34.0 ttp 76.12 -39.48 0.37 Allowed 'General case' 0 N--CA 1.504 2.261 0 N-CA-C 117.495 2.406 . . . . 0.0 117.495 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.2 t -77.67 -79.07 0.12 Allowed 'General case' 0 N--CA 1.497 1.89 0 CA-C-N 122.067 2.212 . . . . 0.0 113.982 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -154.63 -83.33 0.07 Allowed 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 121.409 1.913 . . . . 0.0 112.249 178.8 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LYS . . . . . 0.437 ' O ' ' OG1' ' A' ' 94' ' ' THR . 0.7 OUTLIER -168.04 -71.48 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.233 0 CA-C-N 121.577 1.989 . . . . 0.0 113.585 -178.893 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.9 t0 71.07 144.17 0.06 Allowed 'General case' 0 N--CA 1.504 2.269 0 C-N-CA 125.818 1.647 . . . . 0.0 113.619 -177.849 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.5 t -173.69 125.29 0.38 Allowed 'General case' 0 N--CA 1.509 2.516 0 O-C-N 120.275 -1.516 . . . . 0.0 111.825 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.259 0.0 OUTLIER 56.27 167.36 0.03 OUTLIER 'General case' 0 N--CA 1.509 2.48 0 C-N-CA 127.141 2.176 . . . . 0.0 115.89 -178.475 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 66.42 -48.66 0.44 Allowed 'General case' 0 N--CA 1.524 3.266 0 CA-C-N 122.326 2.33 . . . . 0.0 112.031 -172.398 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -35.06 6.15 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 128.587 2.755 . . . . 0.0 114.466 175.554 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.0 tt -60.48 -41.32 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 CA-C-N 120.497 1.498 . . . . 0.0 111.701 176.286 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.496 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 0.5 OUTLIER -71.78 -46.91 56.78 Favored 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -179.776 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -67.62 -41.26 84.22 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 117.487 -1.244 . . . . 0.0 112.534 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.16 -44.65 75.49 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 121.068 1.758 . . . . 0.0 113.167 178.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.522 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 6.3 t80 -67.15 -43.9 81.13 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.61 2.004 . . . . 0.0 112.836 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . 0.25 7.6 tptt -67.75 -32.42 73.02 Favored 'General case' 0 CA--C 1.58 2.12 0 CA-C-N 120.977 1.717 . . . . 0.0 111.826 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.3 mt -80.02 -19.94 46.55 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-N 122.401 2.364 . . . . 0.0 112.179 172.939 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -43.77 90.61 Favored 'General case' 0 CA--C 1.568 1.667 0 CA-C-N 121.642 2.019 . . . . 0.0 111.58 172.822 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -83.98 84.48 7.57 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-O 118.263 -0.875 . . . . 0.0 108.938 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -44.39 -15.67 0.02 OUTLIER 'General case' 0 CA--C 1.604 3.035 0 N-CA-C 117.782 2.512 . . . . 0.0 117.782 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -99.51 -11.26 21.22 Favored 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 120.619 1.554 . . . . 0.0 112.77 176.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 71.04 1.02 3.63 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 -177.375 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -69.78 -26.28 64.2 Favored 'General case' 0 CA--C 1.582 2.175 0 C-N-CA 125.566 1.546 . . . . 0.0 111.109 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 77.15 69.09 1.43 Allowed Glycine 0 C--N 1.359 1.813 0 N-CA-C 120.595 2.998 . . . . 0.0 120.595 175.445 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -149.5 109.87 4.19 Favored 'General case' 0 CA--C 1.568 1.64 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.16 128.11 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 CA-C-O 122.544 1.164 . . . . 0.0 108.711 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.9 p -102.45 170.81 7.83 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-N 112.991 -1.913 . . . . 0.0 107.724 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.444 ' HE1' HD22 ' A' ' 142' ' ' LEU . 4.7 t80 -56.06 -35.05 66.51 Favored 'General case' 0 N--CA 1.511 2.591 0 O-C-N 120.442 -1.411 . . . . 0.0 114.68 179.052 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -45.79 86.6 Favored 'General case' 0 CA--C 1.578 2.029 0 O-C-N 120.551 -1.343 . . . . 0.0 112.66 178.233 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -67.97 -31.91 71.96 Favored 'General case' 0 CA--C 1.576 1.98 0 O-C-N 121.062 -1.024 . . . . 0.0 111.471 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.5 mt -56.83 -48.33 78.28 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 120.708 1.595 . . . . 0.0 111.263 174.264 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.337 0.0 OUTLIER -70.6 -28.26 64.73 Favored 'General case' 0 CA--C 1.581 2.145 0 CA-C-O 116.647 -1.644 . . . . 0.0 111.034 177.218 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -57.4 -57.2 13.71 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 121.832 2.105 . . . . 0.0 108.506 172.086 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 133' ' ' LEU 0.337 0.1 OUTLIER -67.53 -41.89 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 CA-C-O 117.399 -1.286 . . . . 0.0 111.973 -178.92 . . . . . . . . 4 4 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -45.05 -46.78 11.64 Favored 'General case' 0 CA--C 1.576 1.976 0 CA-C-N 121.269 1.85 . . . . 0.0 112.567 174.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -66.34 -41.52 89.45 Favored 'General case' 0 CA--C 1.59 2.51 0 O-C-N 121.118 -0.989 . . . . 0.0 112.865 173.505 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -72.37 -60.08 2.41 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 121.376 3.843 . . . . 0.0 121.376 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.404 ' HB2' HG12 ' A' ' 129' ' ' VAL 0.488 20.6 tp -33.16 -51.14 0.32 Allowed 'General case' 0 CA--C 1.56 1.362 1 N-CA-C 122.353 4.205 . . . . 0.0 122.353 -177.836 . . . . . . . . 4 3 . 1 . 015 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 152.64 -23.14 0.83 Allowed Glycine 0 CA--C 1.548 2.118 0 CA-C-N 112.162 -2.29 . . . . 0.0 111.98 -176.562 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLU . . . . . 0.553 ' HB3' ' SD ' ' A' ' 93' ' ' MET . 0.6 OUTLIER -151.37 136.23 17.27 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 120.763 2.281 . . . . 0.0 109.909 179.766 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -93.5 -42.94 8.97 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 117.811 2.523 . . . . 0.0 117.811 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.3 tp 66.54 -118.17 0.27 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 117.195 -1.384 . . . . 0.0 108.152 -176.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.473 ' O ' HD13 ' A' ' 142' ' ' LEU . 1.7 t -156.71 158.73 37.45 Favored 'General case' 0 CA--C 1.566 1.58 0 CA-C-O 126.036 2.827 . . . . 0.0 111.769 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -39.94 -50.26 2.49 Favored 'General case' 0 CA--C 1.577 1.994 0 CA-C-N 109.851 -3.34 . . . . 0.0 116.888 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.23 -41.33 97.06 Favored 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 125.945 1.698 . . . . 0.0 112.44 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -60.5 -47.5 85.86 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 123.836 0.854 . . . . 0.0 110.488 174.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 138' ' ' THR . 2.6 mp -55.68 -46.54 77.56 Favored 'General case' 0 CA--C 1.563 1.449 0 O-C-N 120.726 -1.234 . . . . 0.0 113.074 174.294 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.25 0.0 OUTLIER -66.57 -30.41 70.7 Favored 'General case' 0 CA--C 1.576 1.955 0 CA-C-O 118.101 -0.952 . . . . 0.0 113.13 177.512 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.02 -46.0 89.66 Favored 'General case' 0 CA--C 1.581 2.138 0 CA-C-N 120.527 1.512 . . . . 0.0 110.089 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -64.13 -33.54 76.01 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.745 -1.222 . . . . 0.0 111.775 175.003 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.7 mm -59.49 -55.03 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 CA-C-N 121.643 2.02 . . . . 0.0 109.848 172.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.02 -39.27 65.98 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 117.41 -1.281 . . . . 0.0 113.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -51.23 37.44 Favored 'General case' 0 CA--C 1.592 2.563 0 CA-C-N 121.177 1.808 . . . . 0.0 111.223 172.798 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.89 74.47 Favored 'General case' 0 CA--C 1.557 1.242 0 N-CA-C 120.485 3.513 . . . . 0.0 120.485 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.23 49.33 0.06 Allowed 'General case' 0 CA--C 1.59 2.499 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -50.54 -41.02 53.43 Favored 'General case' 0 CA--C 1.572 1.814 0 O-C-N 119.451 -2.031 . . . . 0.0 115.437 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -65.23 -38.83 91.61 Favored 'General case' 0 CA--C 1.584 2.262 0 C-N-CA 124.322 1.049 . . . . 0.0 113.203 174.537 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 101.18 41.02 2.69 Favored Glycine 0 CA--C 1.548 2.155 0 N-CA-C 121.853 3.501 . . . . 0.0 121.853 176.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -119.26 6.17 11.21 Favored 'General case' 0 CA--C 1.586 2.347 0 CA-C-N 119.124 1.462 . . . . 0.0 113.935 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 79.08 22.13 66.35 Favored Glycine 0 CA--C 1.571 3.591 0 O-C-N 119.205 -2.184 . . . . 0.0 113.342 -172.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -160.02 151.19 19.39 Favored 'General case' 0 CA--C 1.574 1.888 0 C-N-CA 126.016 1.726 . . . . 0.0 109.073 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 13.0 t -99.73 130.45 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.578 0 O-C-N 120.12 -1.613 . . . . 0.0 110.559 -173.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 54.0 p -99.77 171.35 7.94 Favored 'General case' 0 CA--C 1.57 1.74 0 CA-C-O 122.813 1.292 . . . . 0.0 112.193 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.314 20.6 pt-20 -58.93 -37.74 77.38 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.426 -1.421 . . . . 0.0 114.657 -178.395 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.443 ' HA ' HD22 ' A' ' 163' ' ' LEU . 2.5 pt20 -60.41 -36.58 78.47 Favored 'General case' 0 CA--C 1.584 2.271 0 CA-C-N 122.966 2.621 . . . . 0.0 112.531 173.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -32.31 71.0 Favored 'General case' 0 N--CA 1.513 2.717 0 CA-C-N 122.116 2.235 . . . . 0.0 109.655 175.282 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -62.14 -37.5 85.41 Favored 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 124.912 1.285 . . . . 0.0 112.941 172.212 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -79.94 -52.04 8.35 Favored 'General case' 0 CA--C 1.579 2.09 0 C-N-CA 126.267 1.827 . . . . 0.0 112.345 177.165 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -19.94 0.12 Allowed 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 118.487 2.773 . . . . 0.0 118.487 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.573 1.844 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 176.562 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.505 2.296 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.38 -43.14 34.69 Favored Glycine 0 N--CA 1.499 2.841 0 N-CA-C 116.815 1.486 . . . . 0.0 116.815 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.87 -51.35 67.35 Favored 'General case' 0 CA--C 1.576 1.952 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.948 176.05 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.31 -38.94 69.33 Favored 'General case' 0 CA--C 1.59 2.499 0 C-N-CA 124.205 1.002 . . . . 0.0 111.664 175.198 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.84 -53.26 53.46 Favored 'General case' 0 CA--C 1.563 1.46 0 O-C-N 120.522 -1.361 . . . . 0.0 109.992 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.494 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 4.2 m -56.15 -39.42 72.26 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 176.585 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -42.15 88.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 C-N-CA 124.782 1.233 . . . . 0.0 112.003 174.707 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.747 ' HB2' HD21 ' A' ' 133' ' ' LEU . 56.7 ttp -65.74 -57.18 8.62 Favored 'General case' 0 CA--C 1.583 2.22 0 CA-C-O 123.742 1.734 . . . . 0.0 112.968 174.233 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.494 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 73.4 p -58.83 -38.45 78.68 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 111.82 -2.446 . . . . 0.0 115.422 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -63.68 -2.77 1.86 Allowed 'General case' 0 CA--C 1.582 2.205 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 176.405 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -98.03 73.85 2.26 Favored 'General case' 0 CA--C 1.567 1.603 0 O-C-N 120.481 -1.387 . . . . 0.0 109.786 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 2.0 mpt? 66.3 58.93 0.67 Allowed 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 125.162 1.385 . . . . 0.0 114.41 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.1 t -161.1 -55.49 0.05 Allowed 'General case' 0 N--CA 1.499 2.006 0 C-N-CA 124.546 1.138 . . . . 0.0 109.631 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 57.94 57.95 3.86 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 116.695 2.109 . . . . 0.0 116.695 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -143.45 177.9 8.13 Favored 'General case' 0 CA--C 1.576 1.962 0 C-N-CA 124.777 1.231 . . . . 0.0 111.651 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 85.79 100.3 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 C-N-CA 126.615 1.966 . . . . 0.0 113.967 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.2 m -158.91 94.72 1.24 Allowed 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.98 155.58 0.05 Allowed 'General case' 0 N--CA 1.513 2.675 0 C-N-CA 126.976 2.11 . . . . 0.0 114.172 -176.609 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 64.51 -46.2 0.31 Allowed 'General case' 0 N--CA 1.533 3.677 0 CA-C-N 123.413 2.824 . . . . 0.0 113.341 -173.62 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -70.71 -20.2 62.68 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 125.887 1.675 . . . . 0.0 113.654 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.28 -36.95 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 CA-C-N 120.15 1.341 . . . . 0.0 111.699 172.786 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.471 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 3.2 mp -68.25 -45.77 72.28 Favored 'General case' 0 CA--C 1.562 1.422 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -41.82 82.69 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 117.692 -1.146 . . . . 0.0 110.918 175.779 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.3 -46.25 89.58 Favored 'General case' 0 CA--C 1.562 1.407 0 CA-C-N 121.091 1.769 . . . . 0.0 113.832 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.428 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 0.5 OUTLIER -65.03 -49.02 71.79 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 121.109 1.777 . . . . 0.0 110.398 175.73 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -62.06 -36.6 82.12 Favored 'General case' 0 CA--C 1.579 2.079 0 CA-C-O 117.799 -1.096 . . . . 0.0 112.697 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.6 mt -76.74 -19.96 57.06 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-N 121.109 1.777 . . . . 0.0 111.812 173.534 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -40.17 96.41 Favored 'General case' 0 CA--C 1.581 2.153 0 CA-C-N 121.745 2.066 . . . . 0.0 110.115 170.499 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -73.92 72.95 1.62 Allowed 'General case' 0 CA--C 1.586 2.351 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.3 -11.72 0.55 Allowed 'General case' 0 CA--C 1.616 3.517 0 O-C-N 118.609 -2.557 . . . . 0.0 113.916 172.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -98.2 -9.55 25.49 Favored 'General case' 0 CA--C 1.585 2.312 0 C-N-CA 125.647 1.579 . . . . 0.0 111.963 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 74.98 -11.92 1.01 Allowed 'General case' 0 N--CA 1.507 2.388 0 CA-C-N 122.538 2.426 . . . . 0.0 114.794 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.0 t -57.58 -24.05 54.07 Favored 'General case' 0 CA--C 1.568 1.653 0 C-N-CA 125.866 1.667 . . . . 0.0 114.897 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.2 53.49 13.9 Favored Glycine 0 C--N 1.354 1.559 0 N-CA-C 119.196 2.438 . . . . 0.0 119.196 176.951 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.8 109.94 2.35 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 123.678 0.791 . . . . 0.0 109.362 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.7 mp -100.0 122.13 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.7 t -104.51 176.85 5.02 Favored 'General case' 0 CA--C 1.583 2.222 0 CA-C-O 124.402 2.049 . . . . 0.0 106.113 173.696 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.25 -48.9 35.04 Favored 'General case' 0 N--CA 1.507 2.407 0 N-CA-C 117.637 2.458 . . . . 0.0 117.637 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -58.2 -40.0 80.46 Favored 'General case' 0 CA--C 1.582 2.186 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.7 -30.11 66.59 Favored 'General case' 0 N--CA 1.512 2.644 0 CA-C-N 120.549 1.522 . . . . 0.0 109.294 174.085 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.94 -45.96 74.92 Favored 'General case' 0 N--CA 1.508 2.452 0 CA-C-N 121.692 2.042 . . . . 0.0 109.468 170.84 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -56.02 -48.76 75.36 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 125.48 1.512 . . . . 0.0 111.286 173.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -54.05 -48.85 70.12 Favored 'General case' 0 N--CA 1.502 2.133 0 CA-C-N 118.698 0.681 . . . . 0.0 112.723 175.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.52 -44.62 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.032 178.131 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.12 -38.81 40.79 Favored 'General case' 0 CA--C 1.58 2.118 0 CA-C-N 120.647 1.567 . . . . 0.0 113.269 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -71.8 -43.96 64.77 Favored 'General case' 0 CA--C 1.583 2.217 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.909 172.654 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -54.36 -56.62 16.72 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 125.15 1.38 . . . . 0.0 113.503 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.747 HD21 ' HB2' ' A' ' 93' ' ' MET 0.317 9.0 mp -51.63 -37.1 48.65 Favored 'General case' 0 CA--C 1.556 1.173 0 N-CA-C 117.762 2.504 . . . . 0.0 117.762 174.194 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.26 -39.89 2.64 Favored Glycine 0 CA--C 1.547 2.071 0 CA-C-N 112.91 -1.95 . . . . 0.0 113.647 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -86.85 84.56 7.33 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -81.64 115.52 20.94 Favored 'General case' 0 CA--C 1.558 1.279 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -176.309 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 mp -70.69 145.02 50.82 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 14.1 t -75.89 163.59 27.06 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.784 -1.198 . . . . 0.0 112.777 -177.014 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -43.21 -46.66 6.16 Favored 'General case' 0 CA--C 1.572 1.821 0 N-CA-C 118.087 2.625 . . . . 0.0 118.087 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.94 -49.08 74.0 Favored 'General case' 0 CA--C 1.574 1.883 0 CA-C-N 113.116 -1.856 . . . . 0.0 111.496 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -54.7 -51.41 65.65 Favored 'General case' 0 N--CA 1.505 2.281 0 C-N-CA 123.826 0.85 . . . . 0.0 112.879 176.225 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.72 -45.84 88.68 Favored 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 124.79 1.236 . . . . 0.0 113.204 177.242 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -67.85 -34.67 77.16 Favored 'General case' 0 CA--C 1.572 1.82 0 CA-C-N 120.255 1.389 . . . . 0.0 112.523 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -60.44 -44.76 95.48 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 121.004 1.729 . . . . 0.0 109.753 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.83 -43.19 76.75 Favored 'General case' 0 CA--C 1.579 2.095 0 C-N-CA 124.947 1.299 . . . . 0.0 111.583 174.31 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.419 ' O ' ' HB3' ' A' ' 150' ' ' ASP . 9.7 mm -58.91 -60.01 2.97 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-O 115.877 -2.011 . . . . 0.0 109.884 175.277 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.4 -36.81 61.88 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 121.603 2.001 . . . . 0.0 114.158 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.52 -52.15 66.55 Favored 'General case' 0 N--CA 1.516 2.848 0 CA-C-O 121.92 0.866 . . . . 0.0 109.919 172.601 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.405 ' HB1' HG22 ' A' ' 157' ' ' VAL . . . -60.01 -48.52 81.37 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.565 173.231 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 146' ' ' ILE 0.261 0.0 OUTLIER -78.9 40.5 0.4 Allowed 'General case' 0 CA--C 1.585 2.304 0 C-N-CA 127.565 2.346 . . . . 0.0 114.505 179.439 . . . . . . . . 4 4 . 1 . 016 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -59.7 -33.24 71.35 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 117.518 -3.239 . . . . 0.0 116.664 -178.561 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -69.28 -27.07 65.09 Favored 'General case' 0 CA--C 1.59 2.485 0 C-N-CA 123.693 0.797 . . . . 0.0 112.799 175.06 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 102.24 63.53 0.73 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 121.67 3.428 . . . . 0.0 121.67 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -132.97 -4.34 3.14 Favored 'General case' 0 CA--C 1.592 2.568 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 176.459 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 73.14 16.0 78.61 Favored Glycine 0 N--CA 1.51 3.622 0 CA-C-N 123.287 2.767 . . . . 0.0 117.781 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.11 163.45 33.8 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 126.164 1.786 . . . . 0.0 109.964 -177.926 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.405 HG22 ' HB1' ' A' ' 149' ' ' ALA . 2.3 t -99.88 110.11 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 178.67 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.33 171.86 7.51 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-O 123.235 1.493 . . . . 0.0 110.677 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -47.52 45.21 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 115.251 -2.309 . . . . 0.0 115.741 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.466 ' HA ' ' CD2' ' A' ' 163' ' ' LEU 0.263 3.2 pp0? -63.25 -35.36 80.08 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-N 123.745 2.975 . . . . 0.0 113.791 178.081 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.92 -30.3 63.78 Favored 'General case' 0 N--CA 1.517 2.906 0 CA-C-N 123.067 2.667 . . . . 0.0 111.781 174.736 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.471 ' CE1' ' HA ' ' A' ' 107' ' ' LEU . 7.6 t80 -60.92 -55.95 26.89 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.664 1.585 . . . . 0.0 112.435 175.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -80.01 -41.66 25.38 Favored 'General case' 0 CA--C 1.575 1.93 0 CA-C-O 117.472 -1.251 . . . . 0.0 114.045 178.191 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -66.22 -19.9 65.96 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 122.478 2.399 . . . . 0.0 117.36 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.269 4.6 tp . . . . . 0 N--CA 1.508 2.434 0 C-N-CA 130.516 3.526 . . . . 0.0 117.628 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 . . . . . 0 N--CA 1.498 1.974 0 N-CA-C 116.126 1.898 . . . . 0.0 116.126 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.36 -43.63 99.11 Favored Glycine 0 N--CA 1.503 3.125 0 CA-C-N 121.052 1.751 . . . . 0.0 114.887 175.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.22 -47.52 70.58 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.321 1.048 . . . . 0.0 111.604 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -41.2 78.78 Favored 'General case' 0 CA--C 1.585 2.301 0 C-N-CA 124.162 0.985 . . . . 0.0 110.629 175.766 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.484 HD13 ' OG1' ' A' ' 94' ' ' THR . 2.1 tm? -57.83 -57.81 11.12 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 125.661 1.584 . . . . 0.0 112.052 175.12 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.1 t -54.89 -37.32 66.15 Favored 'General case' 0 N--CA 1.507 2.407 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.53 HG12 HD23 ' A' ' 133' ' ' LEU . 85.3 t -61.73 -44.76 99.24 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.154 0 O-C-N 120.758 -1.214 . . . . 0.0 110.95 174.056 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.536 ' HG2' HD11 ' A' ' 133' ' ' LEU . 3.9 mtt -64.64 -60.04 3.57 Favored 'General case' 0 CA--C 1.587 2.38 0 CA-C-O 122.9 1.333 . . . . 0.0 113.261 176.33 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.484 ' OG1' HD13 ' A' ' 90' ' ' LEU . 34.5 p -80.27 -51.76 8.53 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 120.002 3.334 . . . . 0.0 120.002 -175.045 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.74 -29.47 7.7 Favored 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 117.301 2.334 . . . . 0.0 117.301 -177.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -55.07 -28.17 50.33 Favored 'General case' 0 CA--C 1.583 2.23 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 174.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 18.6 ptm -105.19 -62.81 1.3 Allowed 'General case' 0 CA--C 1.573 1.835 0 C-N-CA 124.552 1.141 . . . . 0.0 110.491 176.679 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.0 t -161.43 -144.19 0.1 Allowed 'General case' 0 CA--C 1.583 2.216 0 CA-C-N 120.932 1.697 . . . . 0.0 110.67 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 70.72 143.29 0.05 Allowed 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.92 123.52 1.2 Allowed 'General case' 0 CA--C 1.57 1.712 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.72 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -127.34 -64.01 1.01 Allowed 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 115.289 1.588 . . . . 0.0 115.289 -177.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.2 p 91.77 97.18 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.204 0 C-N-CA 126.609 1.964 . . . . 0.0 106.191 -177.121 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt 75.06 -58.05 0.58 Allowed 'General case' 0 N--CA 1.501 2.092 0 C-N-CA 125.971 1.709 . . . . 0.0 115.03 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -46.26 -32.68 3.22 Favored 'General case' 0 CA--C 1.591 2.533 0 N-CA-C 117.471 2.397 . . . . 0.0 117.471 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -26.24 68.56 Favored 'General case' 0 CA--C 1.56 1.347 0 CA-C-O 115.974 -1.965 . . . . 0.0 114.291 175.774 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -41.04 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.731 0 CA-C-N 122.985 2.63 . . . . 0.0 111.087 173.565 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.518 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 3.6 mp -68.94 -44.04 73.86 Favored 'General case' 0 CA--C 1.561 1.404 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -64.64 -42.85 95.17 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-N 119.416 1.007 . . . . 0.0 111.356 174.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.439 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . . . -57.9 -51.46 69.51 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 177.862 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.489 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.3 t80 -67.13 -43.22 82.91 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-O 118.63 -0.7 . . . . 0.0 111.76 177.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -69.03 -31.12 69.68 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 117.333 -1.318 . . . . 0.0 113.384 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.8 -28.53 60.76 Favored 'General case' 0 CA--C 1.574 1.883 0 CA-C-N 122.437 2.381 . . . . 0.0 111.164 171.812 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.76 -37.55 73.86 Favored 'General case' 0 CA--C 1.56 1.35 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 174.027 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -84.17 51.18 2.01 Favored 'General case' 0 CA--C 1.6 2.897 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -43.69 -29.24 0.49 Allowed 'General case' 0 N--CA 1.512 2.642 0 N-CA-C 118.411 2.745 . . . . 0.0 118.411 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -86.73 -56.66 3.3 Favored 'General case' 0 CA--C 1.556 1.185 0 CA-C-O 116.486 -1.721 . . . . 0.0 112.428 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 165.56 -22.54 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.542 0 CA-C-N 121.162 1.801 . . . . 0.0 115.117 -174.95 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.7 t -84.3 69.81 10.52 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.148 1.779 . . . . 0.0 112.364 -177.359 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.75 52.66 0.15 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 119.845 2.698 . . . . 0.0 119.845 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -145.49 122.43 11.33 Favored 'General case' 0 CA--C 1.583 2.238 1 N-CA-C 99.175 -4.38 . . . . 0.0 99.175 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.4 mp -99.72 120.34 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.382 0 CA-C-N 123.836 3.016 . . . . 0.0 109.065 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.0 t -100.16 169.88 8.85 Favored 'General case' 0 CA--C 1.589 2.467 0 CA-C-N 111.591 -2.55 . . . . 0.0 105.651 173.855 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -52.08 -37.91 55.5 Favored 'General case' 0 N--CA 1.511 2.581 0 N-CA-C 117.05 2.241 . . . . 0.0 117.05 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -60.95 -39.4 89.34 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.918 -1.114 . . . . 0.0 113.202 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -37.07 83.46 Favored 'General case' 0 CA--C 1.585 2.309 0 O-C-N 121.596 -0.69 . . . . 0.0 109.729 175.13 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 93.6 mt -53.72 -44.5 69.93 Favored 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 119.884 1.22 . . . . 0.0 110.603 172.762 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -60.93 -44.75 96.77 Favored 'General case' 0 CA--C 1.572 1.808 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.915 174.283 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -50.9 -53.92 28.52 Favored 'General case' 0 N--CA 1.508 2.428 0 CA-C-N 119.682 1.128 . . . . 0.0 112.451 175.62 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 3.5 t -72.59 -32.42 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.55 73.43 Favored 'General case' 0 CA--C 1.57 1.744 0 C-N-CA 124.013 0.925 . . . . 0.0 110.939 175.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -68.37 -33.93 75.14 Favored 'General case' 0 CA--C 1.575 1.941 0 CA-C-N 119.844 1.202 . . . . 0.0 113.53 174.369 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.43 -46.47 80.24 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-N 120.395 1.452 . . . . 0.0 114.891 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.536 HD11 ' HG2' ' A' ' 93' ' ' MET 0.372 5.2 mp -71.05 -54.39 11.33 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.172 2.189 . . . . 0.0 114.104 177.339 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.65 -47.85 1.21 Allowed Glycine 0 N--CA 1.485 1.916 0 CA-C-O 118.913 -0.937 . . . . 0.0 112.209 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.56 83.82 5.42 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 178.09 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . 0.282 7.8 p30 -116.35 -134.61 0.34 Allowed 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.554 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.84 -125.41 0.16 Allowed 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 -177.585 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 7.0 t -154.14 163.34 40.27 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.385 -1.447 . . . . 0.0 108.585 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -39.95 -53.69 2.3 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 116.698 2.111 . . . . 0.0 116.698 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.49 -45.06 92.45 Favored 'General case' 0 CA--C 1.575 1.939 0 C-N-CA 125.45 1.5 . . . . 0.0 112.717 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -63.96 -46.73 83.33 Favored 'General case' 0 CA--C 1.583 2.241 0 C-N-CA 124.429 1.092 . . . . 0.0 111.046 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.9 mt -56.57 -37.41 70.55 Favored 'General case' 0 CA--C 1.579 2.072 0 CA-C-N 121.248 1.84 . . . . 0.0 110.891 172.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 3.5 tp-100 -70.12 -36.23 74.67 Favored 'General case' 0 CA--C 1.569 1.695 0 CA-C-O 117.649 -1.167 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.06 -38.85 90.33 Favored 'General case' 0 CA--C 1.586 2.356 0 CA-C-N 120.674 1.579 . . . . 0.0 109.941 173.236 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.9 mtt -61.07 -39.67 90.76 Favored 'General case' 0 CA--C 1.584 2.264 0 O-C-N 121.323 -0.861 . . . . 0.0 111.227 173.004 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 5.9 mm -62.16 -56.95 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.621 -1.299 . . . . 0.0 110.302 173.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.75 -39.62 62.34 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -71.58 -39.98 70.23 Favored 'General case' 0 CA--C 1.592 2.587 0 CA-C-N 119.557 1.071 . . . . 0.0 113.397 173.607 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.483 ' HB1' HG22 ' A' ' 157' ' ' VAL . . . -79.12 -29.99 43.5 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 120.45 3.5 . . . . 0.0 120.45 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.23 61.86 0.03 OUTLIER 'General case' 0 CA--C 1.588 2.422 0 N-CA-C 118.965 2.95 . . . . 0.0 118.965 -176.278 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -52.75 -38.11 60.42 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 118.736 -2.477 . . . . 0.0 114.33 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -32.31 73.15 Favored 'General case' 0 CA--C 1.579 2.093 0 CA-C-O 118.083 -0.96 . . . . 0.0 113.208 176.09 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 93.9 112.78 2.33 Favored Glycine 0 CA--C 1.553 2.421 0 N-CA-C 117.515 1.766 . . . . 0.0 117.515 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . 0.265 15.3 t70 123.07 -57.13 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.38 0 C-N-CA 127.573 2.349 . . . . 0.0 108.567 178.502 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 175.34 48.89 0.06 OUTLIER Glycine 0 N--CA 1.482 1.705 0 N-CA-C 120.139 2.816 . . . . 0.0 120.139 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.0 145.46 15.3 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 121.31 2.555 . . . . 0.0 114.107 178.055 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.483 HG22 ' HB1' ' A' ' 149' ' ' ALA . 20.2 t -99.87 123.55 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.6 m -100.83 176.41 5.3 Favored 'General case' 0 CA--C 1.573 1.836 0 CA-C-O 124.718 2.199 . . . . 0.0 113.589 -177.742 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.275 81.3 tt0 -52.81 -50.08 64.39 Favored 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 112.541 -2.118 . . . . 0.0 115.322 -178.771 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.443 ' HA ' HD22 ' A' ' 163' ' ' LEU . 3.4 mp0 -65.5 -31.46 72.55 Favored 'General case' 0 CA--C 1.585 2.298 0 CA-C-N 122.521 2.418 . . . . 0.0 110.965 175.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -67.33 -28.94 68.39 Favored 'General case' 0 N--CA 1.519 2.98 0 CA-C-N 122.893 2.588 . . . . 0.0 112.868 176.662 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.518 ' CE1' ' HA ' ' A' ' 107' ' ' LEU 0.276 5.3 t80 -68.96 -40.81 78.69 Favored 'General case' 0 CA--C 1.583 2.228 0 C-N-CA 127.652 2.381 . . . . 0.0 111.768 171.855 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -77.38 -32.75 55.14 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 126.968 2.107 . . . . 0.0 113.632 177.284 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -46.91 -19.95 0.12 Allowed 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 116.605 2.076 . . . . 0.0 116.605 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.1 tp . . . . . 0 CA--C 1.592 2.558 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 175.674 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 CA--C 1.582 2.178 0 CA-C-O 116.773 -1.584 . . . . 0.0 114.433 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.05 -42.82 94.39 Favored Glycine 0 N--CA 1.498 2.795 0 CA-C-N 123.447 2.84 . . . . 0.0 114.183 176.647 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -64.33 -41.96 96.52 Favored 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 124.247 1.019 . . . . 0.0 110.909 176.088 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -58.23 -49.62 76.45 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 120.459 1.481 . . . . 0.0 108.296 173.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.5 tt -50.4 -56.39 11.63 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 124.467 1.107 . . . . 0.0 113.829 176.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.4 m -57.37 -39.37 75.88 Favored 'General case' 0 N--CA 1.502 2.152 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -43.79 92.28 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.831 0 C-N-CA 125.235 1.414 . . . . 0.0 111.445 175.472 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.581 ' SD ' HD21 ' A' ' 137' ' ' LEU . 27.0 mmt -59.06 -50.9 72.31 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 123.836 0.855 . . . . 0.0 110.896 175.602 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.8 p -68.69 -26.7 65.42 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 61.77 47.93 5.85 Favored 'General case' 0 CA--C 1.574 1.885 0 C-N-CA 126.817 2.047 . . . . 0.0 112.299 -177.124 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -129.56 162.56 27.93 Favored 'General case' 0 N--CA 1.496 1.825 0 CA-C-O 121.883 0.849 . . . . 0.0 111.55 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.6 ttt -76.04 100.57 4.97 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.167 -1.583 . . . . 0.0 112.203 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.9 t 70.6 -69.61 0.17 Allowed 'General case' 0 N--CA 1.503 2.209 0 C-N-CA 125.28 1.432 . . . . 0.0 112.838 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 63.96 -60.03 0.19 Allowed 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 119.014 2.968 . . . . 0.0 119.014 177.901 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -139.61 138.37 36.11 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 120.868 1.667 . . . . 0.0 115.248 -177.38 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 52.97 152.57 0.0 OUTLIER 'General case' 0 CA--C 1.583 2.22 1 N-CA-C 121.916 4.043 . . . . 0.0 121.916 175.213 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 40.0 p -145.89 104.22 3.83 Favored 'General case' 0 N--CA 1.497 1.892 1 N-CA-C 99.21 -4.367 . . . . 0.0 99.21 176.571 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER 73.63 172.65 0.29 Allowed 'General case' 0 N--CA 1.513 2.678 0 C-N-CA 124.544 1.138 . . . . 0.0 108.772 -172.038 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 72.87 -55.62 0.68 Allowed 'General case' 0 N--CA 1.531 3.589 0 CA-C-N 123.979 3.082 . . . . 0.0 110.503 -174.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.94 -36.5 12.57 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 128.021 2.528 . . . . 0.0 114.583 176.151 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 58.2 mt -63.9 -53.6 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 CA-C-N 121.926 2.148 . . . . 0.0 109.089 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . 0.263 0.2 OUTLIER -69.64 -40.53 76.46 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 179.653 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -69.03 -45.87 69.39 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-O 116.973 -1.489 . . . . 0.0 112.619 175.808 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.24 -46.0 68.4 Favored 'General case' 0 C--N 1.365 1.256 0 CA-C-N 121.867 2.121 . . . . 0.0 111.519 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.463 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 13.7 t80 -64.02 -43.9 94.18 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 122.543 2.429 . . . . 0.0 112.966 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -66.52 -36.68 83.29 Favored 'General case' 0 CA--C 1.586 2.361 0 CA-C-N 120.743 1.611 . . . . 0.0 111.414 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.9 mt -78.8 -19.92 50.99 Favored 'General case' 0 CA--C 1.586 2.343 0 CA-C-N 122.536 2.425 . . . . 0.0 113.268 174.642 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -40.29 88.11 Favored 'General case' 0 CA--C 1.568 1.665 0 C-N-CA 126.026 1.73 . . . . 0.0 110.128 171.876 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -79.21 80.39 5.57 Favored 'General case' 0 CA--C 1.594 2.65 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -19.51 0.04 OUTLIER 'General case' 0 N--CA 1.513 2.68 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 175.118 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -92.77 -1.79 56.51 Favored 'General case' 0 CA--C 1.591 2.523 0 CA-C-N 120.8 1.637 . . . . 0.0 112.441 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 70.5 -5.1 1.46 Allowed 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.9 p -65.66 -51.29 60.68 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 125.825 1.65 . . . . 0.0 110.366 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.15 73.07 1.01 Allowed Glycine 0 CA--C 1.536 1.388 0 N-CA-C 115.231 0.853 . . . . 0.0 115.231 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -159.36 113.48 2.34 Favored 'General case' 0 CA--C 1.565 1.548 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 177.18 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.4 mp -99.79 124.89 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.401 0 CA-C-O 124.054 1.883 . . . . 0.0 111.154 -176.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 82.3 p -106.11 169.17 8.66 Favored 'General case' 0 CA--C 1.578 2.025 0 CA-C-N 110.314 -3.13 . . . . 0.0 106.473 174.027 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -52.99 -33.49 51.7 Favored 'General case' 0 CA--C 1.583 2.238 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -44.47 93.39 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 177.351 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -42.87 97.75 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.67 175.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 78.8 mt -53.87 -46.29 71.27 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 119.529 1.059 . . . . 0.0 112.241 174.085 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -58.5 -50.79 72.48 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 117.44 -1.267 . . . . 0.0 113.043 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -60.02 -45.15 93.72 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-O 117.191 -1.385 . . . . 0.0 112.206 177.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -54.94 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-N 120.735 1.607 . . . . 0.0 110.312 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.8 -42.18 5.43 Favored 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 115.721 1.748 . . . . 0.0 115.721 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -22.21 42.5 Favored 'General case' 0 CA--C 1.594 2.643 0 CA-C-N 120.036 1.289 . . . . 0.0 113.05 172.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -75.46 -42.9 52.05 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 119.432 3.123 . . . . 0.0 119.432 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.28 -47.19 84.43 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 161.68 -42.5 0.39 Allowed Glycine 0 N--CA 1.487 2.053 0 N-CA-C 117.364 1.706 . . . . 0.0 117.364 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -123.13 122.21 37.88 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-N 119.383 1.591 . . . . 0.0 109.32 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -83.54 150.82 25.72 Favored 'General case' 0 CA--C 1.573 1.852 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' LEU . . . . . 0.581 HD21 ' SD ' ' A' ' 93' ' ' MET . 0.3 OUTLIER -119.09 -130.79 0.3 Allowed 'General case' 0 CA--C 1.567 1.627 0 C-N-CA 125.692 1.597 . . . . 0.0 108.43 -178.7 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.479 ' O ' HD13 ' A' ' 142' ' ' LEU . 2.0 t -152.98 160.61 43.04 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 126.221 2.915 . . . . 0.0 111.581 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -43.21 -52.06 5.8 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-N 109.468 -3.514 . . . . 0.0 115.932 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -60.23 -42.32 94.97 Favored 'General case' 0 CA--C 1.569 1.673 0 C-N-CA 125.463 1.505 . . . . 0.0 113.643 178.682 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -59.27 -51.34 70.4 Favored 'General case' 0 CA--C 1.584 2.283 0 C-N-CA 123.95 0.9 . . . . 0.0 109.93 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 138' ' ' THR . 2.8 mp -57.56 -43.07 84.22 Favored 'General case' 0 CA--C 1.56 1.338 0 O-C-N 120.137 -1.602 . . . . 0.0 114.312 174.714 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.274 0.1 OUTLIER -67.45 -32.51 73.41 Favored 'General case' 0 CA--C 1.567 1.613 0 CA-C-N 119.997 1.271 . . . . 0.0 112.185 178.855 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.11 -42.13 98.92 Favored 'General case' 0 CA--C 1.587 2.371 0 CA-C-N 120.715 1.598 . . . . 0.0 109.903 173.072 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 38.6 mmt -59.66 -43.46 93.93 Favored 'General case' 0 CA--C 1.58 2.097 0 C-N-CA 123.592 0.757 . . . . 0.0 112.11 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 14.8 mm -59.81 -54.88 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 124.948 1.299 . . . . 0.0 111.319 175.316 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.76 -39.55 71.34 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 118.293 -0.86 . . . . 0.0 113.306 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -69.25 -38.27 78.36 Favored 'General case' 0 CA--C 1.597 2.785 0 CA-C-N 120.337 1.426 . . . . 0.0 113.561 173.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.452 ' HB1' HG22 ' A' ' 157' ' ' VAL . . . -74.7 -40.4 61.37 Favored 'General case' 0 CA--C 1.574 1.888 0 N-CA-C 118.906 2.928 . . . . 0.0 118.906 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.293 26.1 t70 -67.8 49.42 0.05 Allowed 'General case' 0 CA--C 1.594 2.651 0 C-N-CA 126.903 2.081 . . . . 0.0 115.743 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.293 3.4 tmm_? -39.78 -50.11 2.36 Favored 'General case' 0 N--CA 1.51 2.546 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -173.768 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -142.97 55.08 1.38 Allowed 'General case' 0 CA--C 1.578 2.051 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 173.123 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -114.25 -141.58 7.75 Favored Glycine 0 CA--C 1.563 3.054 0 CA-C-N 122.434 2.379 . . . . 0.0 114.214 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -129.44 42.53 3.28 Favored 'General case' 0 CA--C 1.599 2.846 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 76.95 31.0 54.95 Favored Glycine 1 CA--C 1.58 4.133 0 CA-C-N 124.11 3.141 . . . . 0.0 110.107 -169.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -160.05 154.66 24.06 Favored 'General case' 0 CA--C 1.579 2.085 0 C-N-CA 126.21 1.804 . . . . 0.0 111.488 -175.379 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.452 HG22 ' HB1' ' A' ' 149' ' ' ALA . 9.7 t -99.84 121.63 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.378 0 O-C-N 119.921 -1.737 . . . . 0.0 108.283 -176.235 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.4 p -99.85 172.48 7.22 Favored 'General case' 0 CA--C 1.575 1.907 0 CA-C-O 123.602 1.668 . . . . 0.0 111.984 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.9 -50.03 8.17 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 116.264 1.95 . . . . 0.0 116.264 178.378 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . 0.26 3.1 pt20 -61.17 -40.12 92.7 Favored 'General case' 0 CA--C 1.581 2.169 0 CA-C-N 122.06 2.209 . . . . 0.0 113.431 178.396 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.59 -30.56 67.27 Favored 'General case' 0 CA--C 1.586 2.355 0 CA-C-N 120.487 1.494 . . . . 0.0 111.71 173.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.463 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 1.6 t80 -64.84 -45.77 84.71 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 175.322 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.98 -47.62 14.67 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 117.318 -1.325 . . . . 0.0 112.123 -176.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -79.97 -60.21 2.43 Favored 'General case' 0 CA--C 1.566 1.573 0 CA-C-N 121.071 1.76 . . . . 0.0 113.152 177.529 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.3 tp . . . . . 0 CA--C 1.587 2.379 0 C-N-CA 130.992 3.717 . . . . 0.0 108.496 -177.126 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 117.86 -1.067 . . . . 0.0 113.528 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.1 -49.44 71.61 Favored Glycine 0 N--CA 1.489 2.189 0 CA-C-N 120.812 1.642 . . . . 0.0 114.091 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.44 -51.69 66.5 Favored 'General case' 0 CA--C 1.572 1.796 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.756 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -50.74 -45.76 58.85 Favored 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.931 1.242 . . . . 0.0 112.224 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.12 -56.58 20.34 Favored 'General case' 0 CA--C 1.565 1.539 0 C-N-CA 124.726 1.21 . . . . 0.0 110.454 174.233 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.567 ' CB ' ' HG1' ' A' ' 102' ' ' THR . 2.9 m -50.11 -40.37 45.72 Favored 'General case' 0 N--CA 1.5 2.063 0 C-N-CA 125.065 1.346 . . . . 0.0 113.755 176.47 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.32 -49.57 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 C-N-CA 124.773 1.229 . . . . 0.0 109.362 174.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -44.92 93.99 Favored 'General case' 0 CA--C 1.581 2.147 0 CA-C-N 119.114 0.87 . . . . 0.0 111.197 174.023 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.558 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 65.5 p -57.2 -47.51 81.09 Favored 'General case' 0 N--CA 1.505 2.298 0 C-N-CA 124.643 1.177 . . . . 0.0 111.811 176.014 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -60.79 -46.31 91.01 Favored 'General case' 0 CA--C 1.569 1.706 0 C-N-CA 124.203 1.001 . . . . 0.0 112.659 176.365 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -70.6 -36.91 73.77 Favored 'General case' 0 CA--C 1.578 2.029 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 9.7 tpt -85.97 -29.98 23.11 Favored 'General case' 0 CA--C 1.578 2.036 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 178.175 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.0 t 79.69 76.68 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 127.293 2.237 . . . . 0.0 113.821 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -129.83 -77.37 0.54 Allowed 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 117.39 -1.29 . . . . 0.0 112.62 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.32 178.61 10.11 Favored 'General case' 0 CA--C 1.583 2.22 0 CA-C-N 122.564 2.438 . . . . 0.0 115.684 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.87 174.73 1.75 Allowed 'General case' 0 CA--C 1.579 2.073 0 N-CA-C 118.669 2.84 . . . . 0.0 118.669 -179.067 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.567 ' HG1' ' CB ' ' A' ' 91' ' ' THR . 8.1 m -99.72 -176.18 3.19 Favored 'General case' 0 CA--C 1.582 2.182 0 C-N-CA 124.927 1.291 . . . . 0.0 113.592 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' LYS . . . . . 0.464 ' H ' HG22 ' A' ' 102' ' ' THR 0.256 0.0 OUTLIER 69.82 159.74 0.19 Allowed 'General case' 0 N--CA 1.512 2.643 0 C-N-CA 126.553 1.941 . . . . 0.0 112.63 -179.858 . . . . . . . . 4 4 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 69.31 -48.97 0.6 Allowed 'General case' 0 N--CA 1.533 3.717 0 CA-C-N 123.138 2.699 . . . . 0.0 113.586 -173.514 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -71.86 -19.97 61.88 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 127.505 2.322 . . . . 0.0 113.524 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ILE . . . . . 0.464 HG21 HG21 ' A' ' 165' ' ' ILE . 0.3 OUTLIER -46.62 -42.27 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.936 0 CA-C-N 123.847 3.022 . . . . 0.0 112.463 175.728 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.505 ' HA ' ' HE1' ' A' ' 162' ' ' PHE . 1.3 mp -70.47 -43.5 69.68 Favored 'General case' 0 CA--C 1.564 1.512 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 177.698 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -68.95 -38.75 79.62 Favored 'General case' 0 CA--C 1.564 1.508 0 CA-C-O 117.817 -1.087 . . . . 0.0 112.273 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.02 -48.24 71.81 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-N 120.964 1.711 . . . . 0.0 112.415 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.509 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.7 t80 -66.65 -46.32 76.12 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 121.1 1.773 . . . . 0.0 111.357 176.857 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -32.23 73.79 Favored 'General case' 0 CA--C 1.578 2.044 0 CA-C-N 120.272 1.396 . . . . 0.0 112.305 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 46.9 mt -76.57 -19.91 57.38 Favored 'General case' 0 CA--C 1.59 2.512 0 CA-C-N 122.004 2.184 . . . . 0.0 111.387 172.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -46.65 74.77 Favored 'General case' 0 CA--C 1.568 1.66 0 CA-C-N 121.558 1.981 . . . . 0.0 112.01 172.659 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -80.39 71.98 7.23 Favored 'General case' 0 CA--C 1.585 2.303 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -48.67 -16.85 0.13 Allowed 'General case' 0 CA--C 1.598 2.818 0 N-CA-C 117.021 2.23 . . . . 0.0 117.021 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -95.22 3.7 54.33 Favored 'General case' 0 CA--C 1.59 2.493 0 CA-C-N 120.554 1.525 . . . . 0.0 112.072 176.771 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 69.36 -3.72 1.51 Allowed 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 118.905 2.928 . . . . 0.0 118.905 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.5 t -75.97 -26.86 57.19 Favored 'General case' 0 CA--C 1.567 1.604 0 O-C-N 120.452 -1.405 . . . . 0.0 113.934 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 75.15 67.33 1.75 Allowed Glycine 0 C--N 1.355 1.637 0 N-CA-C 118.663 2.225 . . . . 0.0 118.663 177.551 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.0 109.89 4.31 Favored 'General case' 0 CA--C 1.579 2.058 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -104.42 123.26 58.2 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.408 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 177.026 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.58 165.72 10.86 Favored 'General case' 0 CA--C 1.581 2.135 0 CA-C-N 112.366 -2.197 . . . . 0.0 107.222 175.556 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -44.89 -45.25 10.22 Favored 'General case' 0 N--CA 1.511 2.598 0 N-CA-C 119.091 2.997 . . . . 0.0 119.091 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -62.62 -44.8 95.39 Favored 'General case' 0 CA--C 1.579 2.085 0 CA-C-N 114.086 -1.415 . . . . 0.0 112.237 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.262 0.7 OUTLIER -67.21 -31.26 71.53 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 119.909 1.231 . . . . 0.0 108.755 174.901 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.1 mt -54.87 -44.67 74.24 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-N 122.363 2.347 . . . . 0.0 110.68 171.398 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -56.59 -50.55 71.62 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 124.514 1.126 . . . . 0.0 112.41 175.293 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -47.65 85.08 Favored 'General case' 0 N--CA 1.504 2.265 0 CA-C-O 117.304 -1.332 . . . . 0.0 111.975 177.335 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.2 t -66.96 -33.49 63.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 CA-C-N 119.988 1.267 . . . . 0.0 112.133 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.98 -50.53 72.4 Favored 'General case' 0 CA--C 1.569 1.682 0 CA-C-N 119.656 1.116 . . . . 0.0 111.426 175.123 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -77.34 -33.1 55.49 Favored 'General case' 0 CA--C 1.587 2.391 0 CA-C-N 120.197 1.362 . . . . 0.0 114.61 174.643 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -72.22 -22.3 61.28 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 117.346 2.35 . . . . 0.0 117.346 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.71 -72.38 0.23 Allowed 'General case' 0 CA--C 1.564 1.515 0 C-N-CA 124.775 1.23 . . . . 0.0 111.641 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -159.78 -48.33 0.01 OUTLIER Glycine 0 N--CA 1.487 2.073 0 CA-C-O 118.622 -1.099 . . . . 0.0 115.363 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.98 139.69 32.5 Favored 'General case' 0 CA--C 1.574 1.886 0 CA-C-N 119.375 1.587 . . . . 0.0 106.734 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -67.13 167.05 12.74 Favored 'General case' 0 CA--C 1.579 2.077 0 N-CA-C 119.417 3.117 . . . . 0.0 119.417 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 5.7 tp -136.96 131.93 33.68 Favored 'General case' 0 CA--C 1.575 1.934 0 N-CA-C 104.422 -2.436 . . . . 0.0 104.422 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.3 t -78.98 166.45 22.35 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 123.533 1.635 . . . . 0.0 114.359 -175.325 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -40.15 -52.15 2.59 Favored 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.65 -45.84 90.96 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 125.235 1.414 . . . . 0.0 112.212 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -56.24 -55.55 31.92 Favored 'General case' 0 N--CA 1.507 2.404 0 CA-C-O 122.341 1.067 . . . . 0.0 112.024 176.134 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 16.2 mt -58.17 -35.97 72.36 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 124.833 1.253 . . . . 0.0 112.984 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.261 3.5 tp-100 -72.43 -36.69 68.65 Favored 'General case' 0 CA--C 1.566 1.57 0 CA-C-N 120.441 1.473 . . . . 0.0 111.131 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.52 -41.34 94.19 Favored 'General case' 0 CA--C 1.587 2.396 0 CA-C-N 120.741 1.609 . . . . 0.0 110.116 172.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.3 mmt -60.28 -42.32 95.21 Favored 'General case' 0 CA--C 1.579 2.068 0 C-N-CA 123.34 0.656 . . . . 0.0 111.598 174.317 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 146' ' ' ILE . . . . . 0.402 ' O ' ' HB3' ' A' ' 150' ' ' ASP . 3.5 mm -58.39 -60.11 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-O 116.604 -1.665 . . . . 0.0 110.447 175.345 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -55.88 -41.72 74.88 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 116.933 -1.508 . . . . 0.0 113.186 -177.67 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -39.27 86.56 Favored 'General case' 0 N--CA 1.515 2.792 0 CA-C-N 122.736 2.516 . . . . 0.0 112.97 174.31 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.485 ' HB1' HG22 ' A' ' 157' ' ' VAL 0.261 . . -80.04 -26.48 39.72 Favored 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 120.268 3.433 . . . . 0.0 120.268 177.826 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 150' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 146' ' ' ILE . 0.0 OUTLIER -72.82 12.66 0.48 Allowed 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 121.644 3.942 . . . . 0.0 121.644 -175.833 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.278 0.3 OUTLIER -45.53 -44.22 12.51 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 121.308 3.818 . . . . 0.0 121.308 -172.702 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -116.12 50.83 1.0 Allowed 'General case' 0 CA--C 1.575 1.921 0 CA-C-N 119.494 1.043 . . . . 0.0 109.448 175.51 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -148.73 -144.39 3.95 Favored Glycine 0 CA--C 1.563 3.033 0 O-C-N 119.803 -1.811 . . . . 0.0 113.845 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -129.5 47.49 2.49 Favored 'General case' 0 CA--C 1.599 2.841 0 N-CA-C 104.16 -2.533 . . . . 0.0 104.16 -178.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 82.59 31.69 29.49 Favored Glycine 0 CA--C 1.571 3.551 0 CA-C-N 124.54 3.336 . . . . 0.0 113.071 -173.743 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -152.05 154.77 36.61 Favored 'General case' 0 CA--C 1.568 1.641 0 C-N-CA 126.455 1.902 . . . . 0.0 108.84 -178.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.485 HG22 ' HB1' ' A' ' 149' ' ' ALA . 2.3 t -99.8 125.39 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.662 -1.273 . . . . 0.0 110.112 -175.141 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.409 ' H ' ' CG ' ' A' ' 161' ' ' GLU . 0.7 OUTLIER -100.02 170.4 8.52 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 125.289 1.436 . . . . 0.0 111.567 -179.649 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.287 0.0 OUTLIER -54.07 -46.71 72.06 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -178.608 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.441 ' HA ' HD22 ' A' ' 163' ' ' LEU . 3.1 pt20 -67.27 -33.25 74.92 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 119.516 -1.99 . . . . 0.0 112.288 176.43 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.409 ' CG ' ' H ' ' A' ' 158' ' ' SER 0.262 2.3 pt-20 -73.05 -23.25 60.55 Favored 'General case' 0 CA--C 1.604 3.041 0 CA-C-N 121.619 2.009 . . . . 0.0 110.411 172.693 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.509 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.2 OUTLIER -65.45 -41.86 92.98 Favored 'General case' 0 N--CA 1.508 2.458 0 C-N-CA 126.75 2.02 . . . . 0.0 111.427 170.945 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -77.02 -28.72 55.04 Favored 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 126.803 2.041 . . . . 0.0 112.616 176.154 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -21.16 1.33 Allowed 'General case' 0 N--CA 1.504 2.228 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.464 HG21 HG21 ' A' ' 106' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.575 1.926 0 C-N-CA 125.256 1.422 . . . . 0.0 114.126 175.648 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 116.396 -1.764 . . . . 0.0 115.159 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -53.95 -33.12 49.96 Favored Glycine 0 N--CA 1.498 2.772 0 CA-C-N 122.616 2.462 . . . . 0.0 116.603 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -70.0 -54.32 13.76 Favored 'General case' 0 CA--C 1.578 2.033 0 C-N-CA 123.859 0.863 . . . . 0.0 110.437 175.608 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -56.65 -43.73 80.62 Favored 'General case' 0 N--CA 1.512 2.64 0 CA-C-N 121.051 1.75 . . . . 0.0 111.179 174.171 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.63 -55.18 38.34 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 125.282 1.433 . . . . 0.0 113.043 175.153 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.5 t -56.22 -40.19 73.67 Favored 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 118.724 0.693 . . . . 0.0 112.273 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 61.2 t -56.89 -50.28 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.199 0 C-N-CA 124.43 1.092 . . . . 0.0 110.388 174.096 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.1 tpp -64.12 -41.51 97.21 Favored 'General case' 0 CA--C 1.58 2.11 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.3 p -73.78 -53.57 9.99 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 124.082 0.953 . . . . 0.0 112.221 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -49.57 -37.61 28.05 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -79.04 87.16 4.84 Favored 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 105.72 -1.955 . . . . 0.0 105.72 176.558 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 37.0 mmt 107.32 20.18 0.0 OUTLIER 'General case' 0 CA--C 1.6 2.889 0 C-N-CA 129.124 2.97 . . . . 0.0 111.307 -174.547 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.1 t 63.12 -75.14 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 117.116 2.265 . . . . 0.0 117.116 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . 0.275 4.6 mm-40 59.85 -113.73 0.64 Allowed 'General case' 0 CA--C 1.577 1.985 0 CA-C-O 116.886 -1.531 . . . . 0.0 113.635 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.1 -128.18 0.02 OUTLIER 'General case' 0 CA--C 1.583 2.244 0 CA-C-N 123.028 2.649 . . . . 0.0 111.955 -178.157 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.281 73.3 m-20 70.08 -132.37 0.06 Allowed 'General case' 0 CA--C 1.578 2.04 0 C-N-CA 127.384 2.274 . . . . 0.0 116.405 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.8 m 73.89 107.97 0.07 Allowed 'General case' 0 N--CA 1.51 2.536 0 CA-C-N 120.998 1.726 . . . . 0.0 109.249 -176.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER 60.6 160.55 0.05 OUTLIER 'General case' 0 N--CA 1.515 2.809 0 C-N-CA 127.436 2.294 . . . . 0.0 115.256 -176.203 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 67.46 -47.87 0.5 Allowed 'General case' 0 N--CA 1.535 3.777 0 CA-C-N 123.201 2.728 . . . . 0.0 110.676 -171.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.38 -33.78 14.55 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 128.452 2.701 . . . . 0.0 115.053 175.064 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.42 -48.0 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 CA-C-N 123.114 2.688 . . . . 0.0 108.53 175.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 mp -70.89 -43.46 68.3 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -70.12 -40.5 74.83 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 116.782 -1.58 . . . . 0.0 113.537 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.1 -39.37 72.12 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 122.244 2.293 . . . . 0.0 112.342 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.458 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 5.8 t80 -69.85 -47.07 64.08 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 121.455 1.934 . . . . 0.0 111.963 177.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -65.24 -36.09 83.05 Favored 'General case' 0 CA--C 1.587 2.393 0 CA-C-N 120.587 1.54 . . . . 0.0 110.321 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.5 mt -75.28 -20.01 59.38 Favored 'General case' 0 CA--C 1.584 2.264 0 CA-C-N 122.244 2.293 . . . . 0.0 112.916 174.18 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.522 ' CE1' HG11 ' A' ' 129' ' ' VAL . 6.4 m-85 -64.46 -45.98 85.07 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 122.157 2.253 . . . . 0.0 110.102 171.123 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -78.43 86.01 4.5 Favored 'General case' 0 CA--C 1.592 2.569 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -47.57 -14.29 0.04 OUTLIER 'General case' 0 CA--C 1.599 2.844 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -105.1 -1.51 25.48 Favored 'General case' 0 CA--C 1.595 2.683 0 C-N-CA 125.36 1.464 . . . . 0.0 112.106 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 73.03 -2.07 2.84 Favored 'General case' 0 CA--C 1.584 2.258 0 N-CA-C 117.649 2.463 . . . . 0.0 117.649 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.4 p -57.39 -41.75 80.85 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 119.281 -2.137 . . . . 0.0 112.328 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 92.45 72.75 1.22 Allowed Glycine 0 CA--C 1.534 1.247 0 N-CA-C 116.8 1.48 . . . . 0.0 116.8 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.06 110.06 4.12 Favored 'General case' 0 CA--C 1.58 2.112 0 CA-C-O 118.57 -0.728 . . . . 0.0 111.742 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 121' ' ' ILE . . . . . 0.418 HD13 ' CE2' ' A' ' 110' ' ' PHE . 0.2 OUTLIER -111.23 128.06 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.355 0 CA-C-N 121.474 1.943 . . . . 0.0 109.015 178.136 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.6 p -108.95 172.24 6.96 Favored 'General case' 0 CA--C 1.584 2.255 0 CA-C-N 112.272 -2.24 . . . . 0.0 107.159 172.533 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.454 ' HE1' HD22 ' A' ' 142' ' ' LEU . 1.3 t80 -49.38 -43.51 44.27 Favored 'General case' 0 N--CA 1.516 2.874 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -50.08 56.48 Favored 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' ASN . . . . . 0.478 ' O ' HG12 ' A' ' 129' ' ' VAL . 0.9 OUTLIER -68.86 -34.11 74.91 Favored 'General case' 0 N--CA 1.503 2.207 0 CA-C-O 116.959 -1.495 . . . . 0.0 109.913 175.475 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 69.9 mt -58.02 -38.53 76.35 Favored 'General case' 0 N--CA 1.502 2.16 0 CA-C-N 122.629 2.468 . . . . 0.0 112.86 175.129 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.333 11.9 ptpt -74.42 -33.97 63.13 Favored 'General case' 0 CA--C 1.575 1.937 0 CA-C-O 114.652 -2.594 . . . . 0.0 109.628 175.099 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . 0.28 0.6 OUTLIER -60.72 -49.2 78.47 Favored 'General case' 0 N--CA 1.512 2.648 0 CA-C-N 124.785 3.448 . . . . 0.0 110.067 173.191 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.522 HG11 ' CE1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -56.21 -45.05 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 120.411 1.46 . . . . 0.0 113.111 178.242 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.94 -49.52 71.16 Favored 'General case' 0 CA--C 1.573 1.85 0 CA-C-O 118.387 -0.816 . . . . 0.0 112.648 176.398 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -20.98 44.07 Favored 'General case' 0 CA--C 1.584 2.272 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 174.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -79.96 -32.1 39.9 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.8 mt -75.25 -74.36 0.21 Allowed 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 124.868 1.267 . . . . 0.0 112.283 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -163.37 -44.98 0.02 OUTLIER Glycine 0 N--CA 1.488 2.13 0 CA-C-O 117.54 -1.7 . . . . 0.0 117.175 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -129.29 109.33 11.02 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 120.563 2.181 . . . . 0.0 112.312 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -78.76 122.62 26.25 Favored 'General case' 0 CA--C 1.566 1.559 0 O-C-N 120.943 -1.098 . . . . 0.0 110.747 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 49.5 mt -80.84 -111.61 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.561 ' O ' HD13 ' A' ' 142' ' ' LEU . 2.1 t -150.78 156.4 41.2 Favored 'General case' 0 CA--C 1.561 1.381 0 CA-C-O 126.986 3.279 . . . . 0.0 110.623 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -41.56 -48.6 4.0 Favored 'General case' 0 CA--C 1.572 1.814 0 CA-C-N 109.082 -3.69 . . . . 0.0 116.964 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -42.45 96.78 Favored 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 125.121 1.368 . . . . 0.0 113.224 178.579 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -57.34 -51.76 68.09 Favored 'General case' 0 CA--C 1.578 2.058 0 C-N-CA 124.819 1.248 . . . . 0.0 110.148 174.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 138' ' ' THR . 1.2 mp -60.47 -49.63 76.78 Favored 'General case' 0 CA--C 1.564 1.498 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 176.04 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.425 ' NE2' ' CD2' ' A' ' 123' ' ' PHE . 8.3 tp-100 -66.23 -33.61 76.14 Favored 'General case' 0 CA--C 1.577 2.016 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.899 -179.855 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -64.75 -39.84 94.3 Favored 'General case' 0 CA--C 1.583 2.227 0 CA-C-N 120.545 1.521 . . . . 0.0 109.34 173.491 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 21.8 mmt -58.48 -39.54 80.26 Favored 'General case' 0 CA--C 1.578 2.057 0 CA-C-N 119.555 1.071 . . . . 0.0 110.699 173.165 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 16.7 mm -58.04 -53.5 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 124.631 1.172 . . . . 0.0 110.407 173.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -55.15 -37.66 67.25 Favored 'General case' 0 N--CA 1.503 2.219 0 CA-C-N 119.598 1.09 . . . . 0.0 113.226 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -65.02 -48.14 74.94 Favored 'General case' 0 N--CA 1.512 2.647 0 CA-C-O 122.866 1.317 . . . . 0.0 112.432 172.546 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.468 ' HB1' ' CG2' ' A' ' 157' ' ' VAL . . . -69.54 -32.1 70.71 Favored 'General case' 0 CA--C 1.574 1.895 0 N-CA-C 120.293 3.442 . . . . 0.0 120.293 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -78.56 62.8 3.22 Favored 'General case' 0 CA--C 1.594 2.668 0 C-N-CA 125.791 1.636 . . . . 0.0 112.022 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.55 -44.19 69.04 Favored 'General case' 0 CA--C 1.561 1.39 0 O-C-N 118.245 -2.784 . . . . 0.0 115.832 -178.195 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -66.49 -30.22 70.51 Favored 'General case' 0 CA--C 1.585 2.317 0 CA-C-N 119.923 1.238 . . . . 0.0 112.785 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 90.14 22.22 36.09 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 120.693 3.037 . . . . 0.0 120.693 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -90.33 -30.95 17.13 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 119.843 1.821 . . . . 0.0 112.717 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 148.18 -22.27 1.4 Allowed Glycine 0 CA--C 1.55 2.251 0 N-CA-C 118.288 2.075 . . . . 0.0 118.288 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.82 177.54 7.17 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-O 123.221 1.486 . . . . 0.0 110.962 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.468 ' CG2' ' HB1' ' A' ' 149' ' ' ALA . 4.6 t -101.55 121.21 52.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 35.8 m -99.97 170.93 8.17 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-O 122.05 0.928 . . . . 0.0 112.573 -178.594 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.274 9.3 pt-20 -59.75 -41.53 91.18 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -177.795 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -36.92 80.53 Favored 'General case' 0 CA--C 1.582 2.197 0 CA-C-N 121.454 1.933 . . . . 0.0 112.413 175.077 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -20.01 58.65 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.4 -1.437 . . . . 0.0 112.943 176.758 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.458 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.2 OUTLIER -71.63 -57.5 4.33 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.009 1.724 . . . . 0.0 110.578 174.791 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -60.03 2.49 Favored 'General case' 0 CA--C 1.572 1.794 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . 0.252 6.6 ptt-85 -80.19 -40.37 27.37 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 121.625 3.935 . . . . 0.0 121.625 -175.156 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.4 tp . . . . . 0 N--CA 1.523 3.221 0 CA-C-N 125.667 3.849 . . . . 0.0 118.388 -178.982 . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 CA--C 1.599 2.852 1 N-CA-C 99.799 -4.148 . . . . 0.0 99.799 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -39.79 -38.37 1.11 Allowed Glycine 0 N--CA 1.512 3.736 0 CA-C-N 124.68 3.4 . . . . 0.0 118.435 -177.92 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 88' ' ' ASP . . . . . 0.406 ' O ' HG23 ' A' ' 92' ' ' VAL . 21.6 t70 -70.19 -52.62 21.96 Favored 'General case' 0 CA--C 1.58 2.114 0 CA-C-O 117.077 -1.439 . . . . 0.0 108.616 171.972 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.01 -40.6 76.96 Favored 'General case' 0 CA--C 1.6 2.884 0 CA-C-N 122.77 2.532 . . . . 0.0 112.385 175.04 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 tt -58.64 -60.05 4.44 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.002 1.721 . . . . 0.0 111.541 176.175 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 91' ' ' THR . . . . . 0.549 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 4.9 m -53.6 -40.19 65.52 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 178.668 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 92' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 88' ' ' ASP . 69.9 t -60.76 -42.94 94.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 123.698 0.799 . . . . 0.0 111.685 175.41 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.535 ' CG ' HD13 ' A' ' 133' ' ' LEU . 0.0 OUTLIER -78.1 -46.2 21.38 Favored 'General case' 0 CA--C 1.587 2.374 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 175.993 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 94' ' ' THR . . . . . 0.549 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 46.5 p -49.17 -32.79 10.86 Favored 'General case' 0 N--CA 1.51 2.555 0 C-N-CA 127.216 2.206 . . . . 0.0 115.46 179.452 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -53.82 -25.23 18.42 Favored 'General case' 0 CA--C 1.585 2.314 0 CA-C-N 120.7 1.591 . . . . 0.0 113.975 174.415 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -83.29 -50.53 8.29 Favored 'General case' 0 CA--C 1.581 2.137 0 CA-C-N 119.506 1.048 . . . . 0.0 110.705 174.999 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.9 tpt -133.47 117.7 17.49 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 178.393 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.9 t -31.27 -58.23 0.24 Allowed 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 119.954 3.316 . . . . 0.0 119.954 -177.505 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 38.02 97.3 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.208 0 N-CA-C 121.71 3.967 . . . . 0.0 121.71 176.942 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 63.64 168.15 0.15 Allowed 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 118.862 2.912 . . . . 0.0 118.862 176.394 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -122.14 -93.96 0.51 Allowed 'General case' 0 CA--C 1.579 2.07 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 -176.976 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.6 t -160.2 154.56 23.59 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 119.05 -2.281 . . . . 0.0 114.239 -178.064 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 70.59 148.33 0.08 Allowed 'General case' 0 N--CA 1.515 2.812 0 C-N-CA 126.434 1.894 . . . . 0.0 110.483 -177.636 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 73.45 -54.68 0.69 Allowed 'General case' 0 N--CA 1.538 3.928 0 CA-C-N 124.028 3.104 . . . . 0.0 107.99 -169.161 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -39.96 -46.26 2.03 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 131.437 3.895 . . . . 0.0 114.57 175.348 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.8 tt -68.96 -41.94 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 CA-C-N 120.51 1.505 . . . . 0.0 112.935 176.967 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.79 -47.59 52.36 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 179.401 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -68.04 -38.88 83.01 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 120.096 1.317 . . . . 0.0 112.072 176.895 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.23 -42.3 75.88 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-N 121.353 1.888 . . . . 0.0 113.851 178.482 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.479 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 9.4 t80 -66.67 -47.26 73.05 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 121.016 1.735 . . . . 0.0 110.562 176.356 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -61.92 -36.63 81.94 Favored 'General case' 0 CA--C 1.575 1.939 0 CA-C-N 120.85 1.659 . . . . 0.0 113.314 -179.451 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.5 mt -80.06 -19.97 46.33 Favored 'General case' 0 CA--C 1.579 2.091 0 CA-C-N 121.984 2.174 . . . . 0.0 112.186 173.512 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.576 ' CE1' HG21 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -66.34 -42.25 88.4 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-N 121.334 1.879 . . . . 0.0 111.399 172.562 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.12 75.76 2.97 Favored 'General case' 0 CA--C 1.594 2.638 0 CA-C-N 118.385 0.538 . . . . 0.0 112.084 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -39.97 -11.94 0.01 OUTLIER 'General case' 0 CA--C 1.609 3.222 0 N-CA-C 118.929 2.937 . . . . 0.0 118.929 175.81 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -100.3 -12.12 19.76 Favored 'General case' 0 CA--C 1.585 2.324 0 C-N-CA 125.77 1.628 . . . . 0.0 112.304 177.419 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 78.36 -7.99 1.72 Allowed 'General case' 0 CA--C 1.597 2.768 0 C-N-CA 126.768 2.027 . . . . 0.0 115.116 -178.73 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.9 t -71.79 -21.7 61.68 Favored 'General case' 0 CA--C 1.572 1.813 0 C-N-CA 127.094 2.157 . . . . 0.0 115.25 178.433 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 82.55 65.53 1.61 Allowed Glycine 0 C--N 1.348 1.246 0 N-CA-C 117.668 1.827 . . . . 0.0 117.668 178.637 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.33 124.14 6.1 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 123.789 0.836 . . . . 0.0 108.797 178.509 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . 0.27 0.5 OUTLIER -99.9 119.97 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 N-CA-C 104.101 -2.555 . . . . 0.0 104.101 176.448 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.7 p -100.34 163.13 12.52 Favored 'General case' 0 CA--C 1.584 2.263 0 CA-C-N 111.695 -2.502 . . . . 0.0 106.479 174.318 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 123' ' ' PHE . . . . . 0.406 ' CD2' ' NE2' ' A' ' 143' ' ' GLN . 1.1 t80 -51.82 -38.55 56.24 Favored 'General case' 0 N--CA 1.521 3.114 0 O-C-N 119.757 -1.839 . . . . 0.0 113.961 177.016 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -54.56 -45.39 73.47 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 124.586 1.155 . . . . 0.0 113.05 177.15 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -65.44 -35.87 82.21 Favored 'General case' 0 CA--C 1.585 2.296 0 CA-C-N 119.296 0.953 . . . . 0.0 109.693 174.574 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.545 ' HA ' HG22 ' A' ' 129' ' ' VAL . 76.5 mt -58.59 -40.72 84.0 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-N 120.1 1.318 . . . . 0.0 111.506 174.67 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -61.43 -48.37 81.49 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-N 119.646 1.112 . . . . 0.0 110.344 173.606 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.7 mmm-85 -51.76 -56.59 12.96 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 123.118 0.567 . . . . 0.0 112.474 174.14 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.576 HG21 ' CE1' ' A' ' 113' ' ' PHE 0.286 14.6 m -65.99 -35.27 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 124.958 1.303 . . . . 0.0 113.708 -178.297 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.4 -48.92 79.82 Favored 'General case' 0 CA--C 1.572 1.813 0 CA-C-N 119.036 0.835 . . . . 0.0 110.703 173.861 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -68.4 -42.19 79.4 Favored 'General case' 0 CA--C 1.582 2.198 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 174.035 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -69.21 -25.46 64.33 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 117.487 2.402 . . . . 0.0 117.487 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.535 HD13 ' CG ' ' A' ' 93' ' ' MET . 17.5 mt -69.81 -66.56 0.57 Allowed 'General case' 0 CA--C 1.586 2.345 0 CA-C-N 120.577 1.535 . . . . 0.0 113.011 176.758 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 158.91 -43.79 0.47 Allowed Glycine 0 CA--C 1.557 2.68 0 C-N-CA 125.179 1.371 . . . . 0.0 112.177 -177.139 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -94.99 106.73 18.74 Favored 'General case' 0 CA--C 1.565 1.527 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 177.328 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -77.61 101.93 6.78 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -177.212 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.4 mp -77.53 155.26 31.73 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.242 0.617 . . . . 0.0 111.9 177.011 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 138' ' ' THR . . . . . 0.65 ' O ' HD13 ' A' ' 142' ' ' LEU . 2.6 t -94.92 162.63 13.67 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 125.158 2.409 . . . . 0.0 111.737 -177.799 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -39.95 -50.97 2.52 Favored 'General case' 0 CA--C 1.572 1.803 0 CA-C-N 110.893 -2.867 . . . . 0.0 116.878 178.505 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -41.79 98.26 Favored 'General case' 0 CA--C 1.571 1.758 0 C-N-CA 124.998 1.319 . . . . 0.0 113.251 177.258 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -60.12 -49.96 75.59 Favored 'General case' 0 CA--C 1.577 1.995 0 C-N-CA 123.892 0.877 . . . . 0.0 111.618 175.873 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 142' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 138' ' ' THR . 0.7 OUTLIER -60.76 -49.6 76.83 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 177.579 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 143' ' ' GLN . . . . . 0.406 ' NE2' ' CD2' ' A' ' 123' ' ' PHE . 7.2 tp-100 -67.05 -32.16 73.16 Favored 'General case' 0 CA--C 1.58 2.134 0 CA-C-N 119.506 1.048 . . . . 0.0 111.584 178.905 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -61.1 -47.39 86.49 Favored 'General case' 0 CA--C 1.578 2.021 0 CA-C-N 120.151 1.341 . . . . 0.0 109.929 173.981 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.9 ptp -63.94 -31.37 72.52 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 120.077 1.308 . . . . 0.0 111.951 175.073 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.8 mm -60.05 -54.12 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 CA-C-N 121.686 2.039 . . . . 0.0 109.33 172.469 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.65 -34.64 69.56 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.46 -54.58 30.34 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-O 121.811 0.815 . . . . 0.0 109.945 171.863 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 149' ' ' ALA . . . . . 0.41 ' HB1' ' CG2' ' A' ' 157' ' ' VAL . . . -56.76 -39.45 74.04 Favored 'General case' 0 CA--C 1.572 1.801 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 178.71 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -90.33 96.19 10.54 Favored 'General case' 0 CA--C 1.59 2.49 0 CA-C-O 116.575 -1.678 . . . . 0.0 106.779 178.656 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -32.87 68.01 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 125.954 3.979 . . . . 0.0 118.286 -175.929 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -78.49 -36.11 45.58 Favored 'General case' 0 CA--C 1.589 2.46 0 CA-C-N 118.893 0.77 . . . . 0.0 110.668 173.363 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 88.05 51.89 3.07 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 118.647 2.219 . . . . 0.0 118.647 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -91.6 -42.63 10.1 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 118.955 -0.545 . . . . 0.0 111.397 176.784 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 151.69 -0.97 0.32 Allowed Glycine 0 CA--C 1.552 2.375 0 N-CA-C 119.777 2.671 . . . . 0.0 119.777 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -156.21 153.15 28.75 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 120.631 2.215 . . . . 0.0 111.347 -179.355 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 157' ' ' VAL . . . . . 0.41 ' CG2' ' HB1' ' A' ' 149' ' ' ALA . 8.6 t -99.8 120.44 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 -178.231 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 7.1 t -99.91 173.41 6.68 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-O 123.768 1.747 . . . . 0.0 112.187 -178.063 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.28 -49.35 17.52 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 113.603 -1.635 . . . . 0.0 115.011 178.455 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -61.45 -41.24 96.9 Favored 'General case' 0 CA--C 1.569 1.695 0 CA-C-O 116.295 -1.812 . . . . 0.0 113.447 177.163 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -72.71 -23.85 60.91 Favored 'General case' 0 N--CA 1.506 2.369 0 CA-C-N 123.572 2.896 . . . . 0.0 113.422 175.206 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.479 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.5 OUTLIER -62.72 -59.93 4.2 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 124.822 1.249 . . . . 0.0 110.683 174.988 . . . . . . . . 3 3 . 1 . 021 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' A' ' 163' ' ' LEU . 1.3 pp -80.16 -50.46 10.25 Favored 'General case' 0 CA--C 1.575 1.92 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 178.829 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -80.12 -33.8 38.37 Favored 'General case' 0 CA--C 1.581 2.169 0 N-CA-C 118.661 2.837 . . . . 0.0 118.661 -179.422 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.517 2.879 0 N-CA-C 119.765 3.246 . . . . 0.0 119.765 179.97 . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 CA--C 1.581 2.171 0 CA-C-O 118.446 -0.788 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.34 -41.1 99.43 Favored Glycine 0 N--CA 1.5 2.901 0 CA-C-N 120.509 1.504 . . . . 0.0 114.243 174.859 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -64.24 -45.43 88.19 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 124.724 1.21 . . . . 0.0 111.206 175.82 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -57.11 -44.76 83.55 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-N 119.797 1.18 . . . . 0.0 110.215 174.641 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.25 -56.95 14.73 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 119.276 0.944 . . . . 0.0 112.361 177.424 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.0 t -56.8 -36.02 69.41 Favored 'General case' 0 N--CA 1.515 2.775 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 177.823 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -45.24 88.04 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.797 0 C-N-CA 125.288 1.435 . . . . 0.0 112.82 175.813 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.414 ' SD ' ' HA ' ' A' ' 130' ' ' ALA . 36.2 mmt -65.89 -42.77 89.86 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 117.743 -1.122 . . . . 0.0 113.908 177.832 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.6 p -64.38 -35.11 79.84 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 121.233 1.833 . . . . 0.0 111.555 177.764 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 52.82 19.5 1.32 Allowed 'General case' 0 CA--C 1.574 1.875 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -177.928 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.6 mmtt -113.27 -74.9 0.61 Allowed 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 117.79 -1.1 . . . . 0.0 111.09 -178.607 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 57.2 mmm -140.62 -69.98 0.39 Allowed 'General case' 0 N--CA 1.497 1.893 0 CA-C-N 120.725 1.602 . . . . 0.0 112.51 -179.526 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.9 t 73.17 -50.8 0.7 Allowed 'General case' 0 N--CA 1.51 2.545 0 C-N-CA 125.21 1.404 . . . . 0.0 114.058 -177.737 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 69.53 -69.97 0.15 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 119.132 3.012 . . . . 0.0 119.132 176.037 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 66.0 pttt -160.5 152.47 20.11 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 117.596 2.443 . . . . 0.0 117.596 -176.009 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -163.27 -82.53 0.03 OUTLIER 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 175.404 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 71.3 p 63.72 109.43 0.03 OUTLIER 'General case' 0 N--CA 1.512 2.647 0 CA-C-N 120.409 1.459 . . . . 0.0 111.379 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.2 157.19 0.16 Allowed 'General case' 0 N--CA 1.513 2.699 0 C-N-CA 124.909 1.283 . . . . 0.0 109.516 -175.326 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 73.98 -56.78 0.64 Allowed 'General case' 0 N--CA 1.532 3.67 0 CA-C-N 124.357 3.253 . . . . 0.0 108.702 -172.904 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -49.04 -37.1 19.78 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 127.072 2.149 . . . . 0.0 114.23 176.161 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.5 mt -64.02 -54.13 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 CA-C-N 121.698 2.045 . . . . 0.0 109.125 175.614 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.3 mp -68.45 -41.74 79.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.71 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -66.89 -45.82 76.83 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-O 116.58 -1.676 . . . . 0.0 112.15 175.647 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.48 -44.31 78.87 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 122.307 2.321 . . . . 0.0 113.72 178.687 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.467 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 8.5 t80 -68.62 -43.15 76.96 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 120.479 1.49 . . . . 0.0 112.39 177.285 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -65.28 -36.27 83.57 Favored 'General case' 0 CA--C 1.571 1.771 0 CA-C-O 116.848 -1.548 . . . . 0.0 112.048 -179.405 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.72 -33.02 71.91 Favored 'General case' 0 CA--C 1.58 2.109 0 CA-C-N 122.464 2.393 . . . . 0.0 111.772 172.477 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -46.08 89.23 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 125.33 1.452 . . . . 0.0 114.185 174.834 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -75.08 66.65 1.66 Allowed 'General case' 0 CA--C 1.602 2.947 0 CA-C-N 119.978 1.263 . . . . 0.0 113.58 178.924 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -39.96 -24.46 0.02 OUTLIER 'General case' 0 N--CA 1.533 3.678 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 175.303 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -92.75 0.19 57.38 Favored 'General case' 0 CA--C 1.59 2.489 0 O-C-N 120.367 -1.458 . . . . 0.0 113.076 177.911 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 72.86 -7.55 1.44 Allowed 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 117.518 2.414 . . . . 0.0 117.518 177.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.1 p -71.05 -24.37 62.33 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 119.369 -2.082 . . . . 0.0 115.33 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 78.08 56.23 3.82 Favored Glycine 0 CA--C 1.54 1.656 0 N-CA-C 116.803 1.481 . . . . 0.0 116.803 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -153.0 109.94 3.47 Favored 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -179.274 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.3 mp -99.99 129.19 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.58 0 CA-C-O 123.236 1.493 . . . . 0.0 109.596 179.505 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.67 170.04 8.17 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 111.79 -2.459 . . . . 0.0 108.47 175.533 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -54.92 -38.1 67.23 Favored 'General case' 0 N--CA 1.508 2.451 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 179.432 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -65.18 -40.13 93.82 Favored 'General case' 0 CA--C 1.574 1.902 0 O-C-N 121.371 -0.831 . . . . 0.0 111.886 178.87 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -34.76 78.74 Favored 'General case' 0 CA--C 1.583 2.219 0 CA-C-O 117.754 -1.117 . . . . 0.0 109.107 174.072 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.9 mt -54.03 -47.48 71.51 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 121.06 1.754 . . . . 0.0 110.38 172.95 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -56.65 -45.62 81.51 Favored 'General case' 0 CA--C 1.576 1.958 0 C-N-CA 124.575 1.15 . . . . 0.0 111.801 174.919 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -54.4 -52.27 62.24 Favored 'General case' 0 N--CA 1.508 2.47 0 CA-C-N 119.271 0.941 . . . . 0.0 112.126 175.404 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . 0.266 6.1 t -67.9 -36.07 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.363 0 C-N-CA 123.193 0.597 . . . . 0.0 110.837 178.386 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.414 ' HA ' ' SD ' ' A' ' 93' ' ' MET . . . -56.91 -45.15 82.84 Favored 'General case' 0 CA--C 1.573 1.853 0 CA-C-N 120.231 1.378 . . . . 0.0 113.216 175.451 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -71.68 -47.46 54.04 Favored 'General case' 0 CA--C 1.58 2.103 0 CA-C-N 120.401 1.455 . . . . 0.0 112.508 174.274 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -51.35 -44.92 62.19 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 118.053 2.612 . . . . 0.0 118.053 179.53 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -41.13 93.04 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 117.658 2.466 . . . . 0.0 117.658 179.759 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 175.79 -63.82 0.1 OUTLIER Glycine 0 CA--C 1.542 1.767 0 CA-C-N 112.173 -2.285 . . . . 0.0 111.174 178.769 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -165.06 135.89 3.95 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 120.714 2.257 . . . . 0.0 108.885 178.775 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -60.3 145.39 47.77 Favored 'General case' 0 CA--C 1.56 1.346 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -179.323 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.7 tt -78.71 -93.29 0.03 OUTLIER 'General case' 0 CA--C 1.562 1.405 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.381 179.593 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.2 m -157.86 143.71 17.26 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 120.873 1.67 . . . . 0.0 106.94 176.236 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -42.73 -50.3 5.57 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 117.339 2.348 . . . . 0.0 117.339 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.2 -41.71 99.2 Favored 'General case' 0 CA--C 1.574 1.881 0 C-N-CA 125.281 1.433 . . . . 0.0 113.708 177.878 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.89 -51.62 67.42 Favored 'General case' 0 N--CA 1.499 2.003 0 C-N-CA 124.799 1.24 . . . . 0.0 111.156 175.889 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 12.2 mt -57.03 -38.53 73.3 Favored 'General case' 0 CA--C 1.58 2.11 0 O-C-N 120.908 -1.12 . . . . 0.0 111.849 174.289 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -70.84 -38.6 73.2 Favored 'General case' 0 CA--C 1.568 1.659 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.736 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -58.68 -38.26 77.83 Favored 'General case' 0 CA--C 1.584 2.258 0 CA-C-N 120.077 1.308 . . . . 0.0 109.836 172.711 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -45.3 93.29 Favored 'General case' 0 CA--C 1.578 2.032 0 C-N-CA 124.248 1.019 . . . . 0.0 110.624 173.265 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 11.8 mm -58.64 -56.39 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 C-N-CA 124.871 1.268 . . . . 0.0 111.27 174.23 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -38.64 70.06 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -47.43 54.37 Favored 'General case' 0 CA--C 1.59 2.498 0 CA-C-N 120.082 1.31 . . . . 0.0 110.885 172.952 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.23 -37.16 79.48 Favored 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 117.401 2.371 . . . . 0.0 117.401 178.752 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.311 27.0 t70 -70.33 44.0 0.07 Allowed 'General case' 0 CA--C 1.604 3.023 0 CA-C-N 120.66 1.573 . . . . 0.0 113.308 178.315 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -39.91 -50.01 2.46 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 120.284 3.439 . . . . 0.0 120.284 -171.758 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -137.5 55.73 1.79 Allowed 'General case' 0 CA--C 1.575 1.904 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 175.426 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -128.46 -141.28 5.17 Favored Glycine 0 CA--C 1.567 3.32 0 CA-C-N 121.681 2.037 . . . . 0.0 114.731 -178.612 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -129.47 16.95 5.95 Favored 'General case' 0 CA--C 1.593 2.6 0 C-N-CA 125.69 1.596 . . . . 0.0 114.911 -177.247 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 114.31 19.31 6.31 Favored Glycine 0 CA--C 1.568 3.355 0 O-C-N 119.526 -1.984 . . . . 0.0 113.64 -175.528 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -157.24 163.39 38.83 Favored 'General case' 0 CA--C 1.58 2.125 0 C-N-CA 125.979 1.712 . . . . 0.0 107.883 -177.773 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.89 116.2 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.282 0 O-C-N 119.095 -2.253 . . . . 0.0 107.349 -176.706 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 4.2 t -100.75 171.81 7.46 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 122.849 1.309 . . . . 0.0 114.246 -178.466 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -46.21 23.71 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.304 1.442 . . . . 0.0 114.504 176.076 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -42.87 99.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.214 -1.554 . . . . 0.0 114.783 177.981 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.256 2.0 tp10 -72.19 -34.54 68.49 Favored 'General case' 0 CA--C 1.591 2.531 0 CA-C-N 120.418 1.463 . . . . 0.0 110.42 174.441 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.467 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 4.0 t80 -57.4 -50.6 72.46 Favored 'General case' 0 C--N 1.361 1.07 0 CA-C-N 120.626 1.557 . . . . 0.0 113.397 176.665 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.08 -55.59 4.83 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-O 119.146 -0.454 . . . . 0.0 112.126 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.445 ' O ' HG22 ' A' ' 165' ' ' ILE . 16.4 mmp_? -80.27 -60.0 2.49 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 118.019 2.6 . . . . 0.0 118.019 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 165' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 164' ' ' ARG 0.261 7.2 tp . . . . . 0 N--CA 1.511 2.607 1 C-N-CA 131.874 4.07 . . . . 0.0 112.773 -177.462 . . . . . . . . 3 2 . 1 . 023 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.514 2.726 0 N-CA-C 117.184 2.29 . . . . 0.0 117.184 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -50.69 -37.02 33.38 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 116.999 1.56 . . . . 0.0 116.999 177.42 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.04 -42.27 97.13 Favored 'General case' 0 CA--C 1.579 2.088 0 CA-C-O 118.583 -0.723 . . . . 0.0 111.668 175.915 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -62.39 -45.84 91.31 Favored 'General case' 0 CA--C 1.589 2.48 0 CA-C-N 120.926 1.694 . . . . 0.0 107.352 172.923 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 90' ' ' LEU . . . . . 0.52 HD23 ' HB2' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -50.24 -55.63 14.51 Favored 'General case' 0 N--CA 1.509 2.511 0 CA-C-N 120.378 1.445 . . . . 0.0 113.999 174.663 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.0 m -55.3 -46.54 76.23 Favored 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 178.328 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.98 -45.09 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.365 0 C-N-CA 123.567 0.747 . . . . 0.0 110.639 175.497 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 31.9 ttp -56.42 -46.62 80.13 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.835 1.254 . . . . 0.0 113.032 176.487 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.6 p -74.13 -49.41 23.9 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 117.369 -1.301 . . . . 0.0 109.93 176.985 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -47.79 -32.9 6.53 Favored 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 177.272 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.3 tptp -52.86 -34.99 56.92 Favored 'General case' 0 CA--C 1.583 2.246 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 175.241 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 27.5 ttt -113.23 -47.28 3.03 Favored 'General case' 0 CA--C 1.577 1.986 0 C-N-CA 125.267 1.427 . . . . 0.0 111.303 176.944 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.8 m -164.84 125.01 1.95 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.349 -1.469 . . . . 0.0 108.223 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -62.23 152.46 33.32 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -178.396 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -105.29 -175.87 2.92 Favored 'General case' 0 CA--C 1.571 1.784 0 N-CA-C 115.718 1.748 . . . . 0.0 115.718 -178.813 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.45 -111.59 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.101 0 C-N-CA 125.519 1.528 . . . . 0.0 113.898 -176.956 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.5 t -178.42 133.54 0.14 Allowed 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 125.864 1.665 . . . . 0.0 106.935 -179.661 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.287 0.0 OUTLIER 56.72 155.8 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.72 0 C-N-CA 126.014 1.726 . . . . 0.0 114.371 -177.603 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 65.38 -32.14 0.15 Allowed 'General case' 0 N--CA 1.527 3.403 0 O-C-N 119.276 -2.14 . . . . 0.0 112.765 -170.389 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -69.14 -30.45 68.71 Favored 'General case' 0 CA--C 1.568 1.638 0 CA-C-N 121.616 2.007 . . . . 0.0 112.476 175.78 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -37.2 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.408 0 CA-C-N 119.665 1.121 . . . . 0.0 111.434 173.559 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.461 HD13 ' CZ ' ' A' ' 162' ' ' PHE . 1.0 OUTLIER -62.87 -46.42 87.96 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 177.031 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -67.1 -40.65 86.95 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 119.336 0.971 . . . . 0.0 112.596 176.344 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 109' ' ' ALA . . . . . 0.52 ' HB2' HD23 ' A' ' 90' ' ' LEU . . . -63.2 -54.87 30.71 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 117.358 -1.306 . . . . 0.0 113.023 177.389 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.554 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 3.2 t80 -62.84 -45.63 91.7 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-N 121.032 1.742 . . . . 0.0 112.141 178.257 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -64.49 -30.02 71.06 Favored 'General case' 0 CA--C 1.587 2.371 0 CA-C-N 120.481 1.491 . . . . 0.0 111.726 179.754 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.7 mt -79.76 -19.98 47.41 Favored 'General case' 0 CA--C 1.58 2.116 0 CA-C-N 122.382 2.355 . . . . 0.0 111.931 172.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -62.17 -44.46 96.56 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 122.625 2.466 . . . . 0.0 110.792 171.234 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.87 76.76 0.89 Allowed 'General case' 0 CA--C 1.581 2.173 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -178.295 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -50.86 -10.09 0.06 Allowed 'General case' 0 CA--C 1.617 3.528 0 O-C-N 119.773 -1.829 . . . . 0.0 115.472 172.636 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -104.66 -18.76 14.18 Favored 'General case' 0 CA--C 1.584 2.288 0 C-N-CA 126.57 1.948 . . . . 0.0 111.583 177.269 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 81.18 -5.25 1.65 Allowed 'General case' 0 CA--C 1.589 2.445 0 CA-C-N 121.796 2.089 . . . . 0.0 114.835 -179.328 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.1 t -64.89 -21.83 66.88 Favored 'General case' 0 CA--C 1.572 1.805 0 O-C-N 119.732 -1.855 . . . . 0.0 115.032 179.16 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.56 57.35 6.67 Favored Glycine 0 C--N 1.353 1.482 0 N-CA-C 118.784 2.274 . . . . 0.0 118.784 177.788 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.95 110.62 4.51 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 178.17 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . 0.25 0.5 OUTLIER -99.94 118.58 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 CA-C-O 123.908 1.813 . . . . 0.0 106.937 178.978 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 76.2 p -100.01 162.2 13.13 Favored 'General case' 0 CA--C 1.574 1.875 0 CA-C-N 111.212 -2.722 . . . . 0.0 106.438 174.981 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -52.25 -35.87 50.96 Favored 'General case' 0 CA--C 1.583 2.226 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -179.477 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -63.06 -39.06 93.6 Favored 'General case' 0 CA--C 1.571 1.754 0 CA-C-O 117.329 -1.319 . . . . 0.0 113.874 178.061 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.26 0.4 OUTLIER -72.08 -29.65 64.33 Favored 'General case' 0 N--CA 1.513 2.695 0 CA-C-N 121.623 2.011 . . . . 0.0 110.103 176.161 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.47 -42.34 82.4 Favored 'General case' 0 N--CA 1.514 2.763 0 CA-C-N 121.56 1.982 . . . . 0.0 110.175 169.953 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -60.14 -45.94 91.32 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 124.135 0.974 . . . . 0.0 111.505 174.468 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -50.74 -60.11 3.39 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 123.717 0.807 . . . . 0.0 111.423 174.954 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.3 m -62.88 -41.27 91.99 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.422 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -179.13 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.52 -50.51 71.62 Favored 'General case' 0 CA--C 1.567 1.601 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 177.617 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -37.05 54.2 Favored 'General case' 0 CA--C 1.577 2.015 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.929 174.803 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -66.98 -25.73 66.46 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 176.421 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.8 mt -60.78 -61.69 2.4 Favored 'General case' 0 CA--C 1.574 1.872 0 CA-C-N 119.746 1.157 . . . . 0.0 113.712 176.281 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 154.33 35.96 0.03 OUTLIER Glycine 0 CA--C 1.552 2.385 0 C-N-CA 124.65 1.119 . . . . 0.0 114.975 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 68.84 122.09 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 126.205 1.802 . . . . 0.0 113.145 -178.731 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -166.75 -50.13 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.549 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -129.19 169.23 15.05 Favored 'General case' 0 N--CA 1.498 1.974 0 CA-C-N 120.295 1.407 . . . . 0.0 113.303 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 13.4 t -110.17 162.38 14.64 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -176.004 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -43.3 -51.25 6.37 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 117.606 2.447 . . . . 0.0 117.606 179.375 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.6 -46.83 88.16 Favored 'General case' 0 CA--C 1.578 2.048 0 CA-C-N 113.785 -1.552 . . . . 0.0 113.041 178.129 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . 0.263 8.1 tp10 -57.25 -48.72 78.13 Favored 'General case' 0 CA--C 1.591 2.537 0 C-N-CA 124.539 1.136 . . . . 0.0 111.562 175.744 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 30.4 mt -56.41 -40.77 75.22 Favored 'General case' 0 CA--C 1.577 2.0 0 O-C-N 119.769 -1.832 . . . . 0.0 111.672 172.903 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.91 -39.35 94.29 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 117.008 -1.473 . . . . 0.0 111.009 177.78 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -63.38 -32.7 74.2 Favored 'General case' 0 CA--C 1.593 2.598 0 CA-C-N 121.834 2.106 . . . . 0.0 110.722 173.23 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -64.44 -34.46 78.25 Favored 'General case' 0 CA--C 1.589 2.473 0 O-C-N 120.627 -1.295 . . . . 0.0 111.609 172.23 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.2 mm -60.33 -58.03 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 119.861 -1.775 . . . . 0.0 108.775 173.419 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.61 -35.41 63.36 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.252 179.652 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -38.15 83.37 Favored 'General case' 0 N--CA 1.513 2.697 0 CA-C-N 121.637 2.017 . . . . 0.0 112.039 172.988 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.0 -28.02 39.52 Favored 'General case' 0 CA--C 1.586 2.334 0 N-CA-C 120.411 3.486 . . . . 0.0 120.411 177.418 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.62 41.71 0.02 OUTLIER 'General case' 0 CA--C 1.596 2.743 0 N-CA-C 120.261 3.43 . . . . 0.0 120.261 -176.013 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -22.98 63.72 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 121.608 3.929 . . . . 0.0 121.608 -174.624 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.94 -29.04 68.01 Favored 'General case' 0 CA--C 1.596 2.727 0 CA-C-N 120.347 1.43 . . . . 0.0 110.922 172.909 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 109.3 18.25 9.33 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 122.466 3.746 . . . . 0.0 122.466 176.28 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -123.94 9.52 8.78 Favored 'General case' 0 CA--C 1.586 2.355 0 CA-C-N 119.827 1.813 . . . . 0.0 112.759 178.587 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 84.19 22.29 54.96 Favored Glycine 0 N--CA 1.505 3.258 0 CA-C-N 123.651 2.932 . . . . 0.0 118.31 -178.693 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -148.06 150.39 33.82 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 119.314 1.557 . . . . 0.0 108.746 178.056 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.3 t -99.89 117.98 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.116 -0.99 . . . . 0.0 110.561 -175.458 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 158' ' ' SER . . . . . 0.476 ' H ' ' CG ' ' A' ' 161' ' ' GLU . 1.2 m -99.86 169.63 9.09 Favored 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 125.146 1.378 . . . . 0.0 111.702 -179.134 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -49.98 65.08 Favored 'General case' 0 N--CA 1.504 2.247 0 CA-C-O 116.177 -1.868 . . . . 0.0 113.554 178.655 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 160' ' ' GLN . . . . . 0.422 ' HA ' ' CD2' ' A' ' 163' ' ' LEU . 2.2 mp0 -59.53 -41.94 91.17 Favored 'General case' 0 CA--C 1.571 1.759 0 CA-C-N 122.797 2.544 . . . . 0.0 113.757 176.468 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 161' ' ' GLU . . . . . 0.476 ' CG ' ' H ' ' A' ' 158' ' ' SER . 6.6 pt-20 -72.44 -19.8 61.51 Favored 'General case' 0 CA--C 1.587 2.401 0 CA-C-N 120.696 1.589 . . . . 0.0 112.948 174.989 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -69.14 -59.98 2.66 Favored 'General case' 0 CA--C 1.566 1.577 0 O-C-N 119.38 -2.075 . . . . 0.0 109.813 174.3 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.422 ' CD2' ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -80.14 -51.58 8.81 Favored 'General case' 0 CA--C 1.58 2.118 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 178.743 . . . . . . . . 3 3 . 1 . 023 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 15.0 mtm-85 -80.18 -19.81 46.22 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 120.824 3.639 . . . . 0.0 120.824 -176.224 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.969 0 CA-C-N 124.777 3.444 . . . . 0.0 116.817 179.598 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 CA--C 1.627 3.918 1 N-CA-C 96.404 -5.406 . . . . 0.0 96.404 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -39.87 -40.53 1.66 Allowed Glycine 1 C--N 1.407 4.49 0 CA-C-N 124.969 3.531 . . . . 0.0 118.161 -175.587 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.72 -49.8 60.75 Favored 'General case' 0 CA--C 1.582 2.209 0 CA-C-N 111.664 -2.268 . . . . 0.0 109.462 174.644 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -60.81 -38.93 87.09 Favored 'General case' 0 N--CA 1.518 2.97 0 CA-C-N 123.173 2.715 . . . . 0.0 110.622 173.16 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.35 -59.08 6.02 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 119.584 -1.948 . . . . 0.0 111.763 176.37 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.1 m -53.82 -39.54 65.63 Favored 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 177.134 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -46.84 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 124.63 1.172 . . . . 0.0 111.695 176.566 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.43 ' HB3' ' HB3' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -80.05 -44.27 20.38 Favored 'General case' 0 CA--C 1.592 2.577 0 CA-C-N 119.616 1.098 . . . . 0.0 113.879 175.466 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.6 p -59.11 -24.59 63.1 Favored 'General case' 0 N--CA 1.506 2.349 0 C-N-CA 127.004 2.122 . . . . 0.0 114.794 179.156 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -46.85 -29.07 1.79 Allowed 'General case' 0 CA--C 1.586 2.328 0 CA-C-N 121.75 2.068 . . . . 0.0 114.769 174.525 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -92.14 -2.46 56.57 Favored 'General case' 0 CA--C 1.585 2.326 0 N-CA-C 115.084 1.512 . . . . 0.0 115.084 175.163 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.3 mmt -127.65 -34.49 2.2 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 115.097 1.518 . . . . 0.0 115.097 -179.745 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.5 t 71.79 68.7 0.15 Allowed 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 126.137 1.775 . . . . 0.0 115.325 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -82.36 175.98 9.81 Favored 'General case' 0 CA--C 1.574 1.879 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 179.082 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.53 -173.15 2.99 Favored 'General case' 0 CA--C 1.581 2.138 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -175.083 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.5 t0 77.56 164.71 0.23 Allowed 'General case' 0 CA--C 1.579 2.087 0 N-CA-C 117.061 2.245 . . . . 0.0 117.061 177.211 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.8 t -161.4 114.12 1.87 Allowed 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 104.191 -2.522 . . . . 0.0 104.191 179.359 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 91.12 157.1 0.04 OUTLIER 'General case' 0 N--CA 1.524 3.27 0 C-N-CA 126.818 2.047 . . . . 0.0 108.341 -172.929 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 68.55 -53.0 0.55 Allowed 'General case' 1 N--CA 1.546 4.363 1 CA-C-N 126.13 4.059 . . . . 0.0 110.38 -173.137 . . . . . . . . 3 2 . 1 . 024 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . 0.323 2.6 tt0 -39.97 -50.32 2.52 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 131.664 3.985 . . . . 0.0 111.137 171.605 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.0 tt -63.47 -45.09 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 CA-C-N 119.426 1.012 . . . . 0.0 112.837 177.654 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.28 -45.95 71.7 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.029 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -66.14 -48.3 71.25 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-O 117.325 -1.322 . . . . 0.0 112.255 176.556 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.88 87.48 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 121.245 1.839 . . . . 0.0 114.433 179.083 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.461 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 6.8 t80 -68.52 -45.74 71.45 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-O 116.93 -1.51 . . . . 0.0 111.428 175.986 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -63.48 -33.8 76.37 Favored 'General case' 0 CA--C 1.58 2.124 0 CA-C-N 120.384 1.447 . . . . 0.0 112.264 -178.447 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 pp -76.33 -22.66 54.65 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 121.247 1.839 . . . . 0.0 112.582 172.33 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 113' ' ' PHE . . . . . 0.555 ' CE1' HG21 ' A' ' 129' ' ' VAL . 13.7 m-85 -62.34 -52.77 62.32 Favored 'General case' 0 CA--C 1.567 1.62 0 CA-C-N 121.232 1.833 . . . . 0.0 109.967 172.369 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -68.51 71.42 0.19 Allowed 'General case' 0 CA--C 1.591 2.552 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -176.301 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 115' ' ' ASP . . . . . 0.435 ' CG ' HH21 ' A' ' 128' ' ' ARG . 66.0 m-20 -40.03 -16.12 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.82 0 N-CA-C 119.095 2.998 . . . . 0.0 119.095 174.646 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -101.32 -2.9 29.91 Favored 'General case' 0 CA--C 1.589 2.475 0 CA-C-N 120.45 1.477 . . . . 0.0 112.292 177.62 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 73.55 -6.16 1.83 Allowed 'General case' 0 CA--C 1.586 2.359 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 178.51 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.6 p -72.16 -28.51 63.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 119.24 -2.163 . . . . 0.0 114.268 179.367 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.81 55.18 2.88 Favored Glycine 0 CA--C 1.541 1.706 0 N-CA-C 117.08 1.592 . . . . 0.0 117.08 179.74 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -146.15 109.92 4.87 Favored 'General case' 0 CA--C 1.561 1.404 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.327 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.3 mp -102.07 119.09 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 CA-C-O 124.032 1.873 . . . . 0.0 108.218 178.042 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.2 p -99.97 165.93 11.3 Favored 'General case' 0 CA--C 1.596 2.715 0 CA-C-N 111.152 -2.749 . . . . 0.0 104.951 172.243 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -49.05 -40.7 32.39 Favored 'General case' 0 N--CA 1.511 2.603 0 N-CA-C 117.268 2.322 . . . . 0.0 117.268 -179.888 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -59.29 -42.82 92.17 Favored 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 178.466 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -66.13 -36.8 84.1 Favored 'General case' 0 N--CA 1.508 2.439 0 CA-C-O 117.069 -1.443 . . . . 0.0 109.16 174.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 126' ' ' LEU . . . . . 0.469 ' HA ' HG23 ' A' ' 129' ' ' VAL . 49.7 mt -55.72 -39.43 71.08 Favored 'General case' 0 CA--C 1.592 2.591 0 CA-C-N 121.997 2.181 . . . . 0.0 110.4 173.55 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -57.64 -48.72 78.67 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 125.563 1.545 . . . . 0.0 110.621 172.966 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 128' ' ' ARG . . . . . 0.435 HH21 ' CG ' ' A' ' 115' ' ' ASP . 2.6 ppt_? -57.16 -44.0 83.07 Favored 'General case' 0 N--CA 1.517 2.881 0 CA-C-N 120.175 1.352 . . . . 0.0 112.855 175.832 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.555 HG21 ' CE1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -67.78 -43.54 86.26 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 178.377 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -48.48 -47.16 38.78 Favored 'General case' 0 CA--C 1.562 1.415 0 C-N-CA 125.05 1.34 . . . . 0.0 113.5 176.222 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -75.15 -34.29 61.61 Favored 'General case' 0 CA--C 1.589 2.47 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 173.823 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -75.5 -29.87 59.67 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 119.1 3.0 . . . . 0.0 119.1 179.41 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.43 ' HB3' ' HB3' ' A' ' 93' ' ' MET . 37.7 mt -64.69 -75.31 0.09 Allowed 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -178.728 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -166.91 -41.54 0.02 OUTLIER Glycine 0 N--CA 1.492 2.417 0 N-CA-C 118.738 2.255 . . . . 0.0 118.738 -179.114 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -128.16 119.85 26.11 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 119.552 1.676 . . . . 0.0 108.415 -179.635 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -90.03 109.07 20.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.21 -0.931 . . . . 0.0 111.369 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.16 -116.78 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 122.869 0.468 . . . . 0.0 111.088 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.8 t -150.06 163.2 38.79 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 125.683 2.659 . . . . 0.0 110.124 179.655 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -44.67 -49.16 10.52 Favored 'General case' 0 CA--C 1.569 1.704 0 CA-C-N 110.377 -3.101 . . . . 0.0 117.249 177.573 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.88 -43.41 98.86 Favored 'General case' 0 CA--C 1.574 1.878 0 C-N-CA 125.761 1.625 . . . . 0.0 113.144 178.172 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -56.05 -54.8 40.64 Favored 'General case' 0 N--CA 1.505 2.291 0 C-N-CA 124.192 0.997 . . . . 0.0 110.779 174.119 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.3 mt -59.55 -35.09 73.54 Favored 'General case' 0 CA--C 1.574 1.873 0 O-C-N 120.886 -1.134 . . . . 0.0 113.282 175.973 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -68.36 -38.75 81.74 Favored 'General case' 0 CA--C 1.561 1.396 0 CA-C-O 117.002 -1.475 . . . . 0.0 111.187 178.953 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -63.77 -35.77 81.7 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-N 121.246 1.839 . . . . 0.0 109.456 172.623 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 78.2 mmm -59.98 -39.62 86.31 Favored 'General case' 0 CA--C 1.588 2.417 0 O-C-N 120.091 -1.631 . . . . 0.0 110.965 173.144 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 3.2 mm -60.43 -55.93 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 C-N-CA 124.453 1.101 . . . . 0.0 109.18 172.175 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.3 -41.21 27.45 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -179.545 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -73.41 -45.59 53.72 Favored 'General case' 0 CA--C 1.587 2.384 0 N-CA-C 111.442 0.164 . . . . 0.0 111.442 174.536 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.28 -37.65 88.24 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 117.78 2.511 . . . . 0.0 117.78 177.932 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.31 32.7 t70 -77.52 44.44 0.44 Allowed 'General case' 0 CA--C 1.583 2.22 0 C-N-CA 126.075 1.75 . . . . 0.0 115.133 -178.737 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.09 -50.02 3.43 Favored 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 119.241 3.052 . . . . 0.0 119.241 -175.362 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -127.11 46.25 2.55 Favored 'General case' 0 CA--C 1.588 2.409 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 175.799 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -118.95 -32.84 1.22 Allowed Glycine 0 N--CA 1.497 2.706 0 N-CA-C 123.015 3.966 . . . . 0.0 123.015 -176.926 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 16.1 t70 79.71 -13.73 0.92 Allowed 'General case' 0 CA--C 1.598 2.816 0 CA-C-N 120.02 1.91 . . . . 0.0 113.594 -176.629 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 172.36 9.1 0.02 OUTLIER Glycine 0 CA--C 1.559 2.84 0 N-CA-C 118.689 2.236 . . . . 0.0 118.689 179.214 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -160.05 148.9 17.34 Favored 'General case' 0 CA--C 1.57 1.714 0 CA-C-N 120.333 2.067 . . . . 0.0 111.838 -179.438 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.4 t -99.84 112.05 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 N-CA-C 104.187 -2.523 . . . . 0.0 104.187 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 83.8 p -99.91 173.84 6.48 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-O 122.159 0.98 . . . . 0.0 113.386 -178.103 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -47.28 -49.19 24.23 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 179.481 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -61.97 -42.58 99.29 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 116.749 -1.596 . . . . 0.0 114.788 177.739 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.321 6.4 tp10 -72.81 -25.35 61.11 Favored 'General case' 0 CA--C 1.589 2.477 0 CA-C-N 122.147 2.249 . . . . 0.0 112.522 175.842 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.6 OUTLIER -63.85 -59.22 4.81 Favored 'General case' 0 CA--C 1.554 1.105 0 O-C-N 119.676 -1.89 . . . . 0.0 110.915 175.263 . . . . . . . . 3 3 . 1 . 024 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' A' ' 163' ' ' LEU 0.262 0.3 OUTLIER -80.18 -47.6 14.44 Favored 'General case' 0 CA--C 1.575 1.936 0 CA-C-O 117.406 -1.283 . . . . 0.0 113.366 -179.868 . . . . . . . . 4 4 . 1 . 024 nuclear build full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.04 -19.91 46.51 Favored 'General case' 0 N--CA 1.505 2.314 0 CA-C-N 122.439 2.381 . . . . 0.0 117.276 177.751 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.253 6.7 tp . . . . . 0 N--CA 1.512 2.633 0 CA-C-N 122.582 2.446 . . . . 0.0 117.526 -178.705 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 . . . . . 0 N--CA 1.51 2.527 0 N-CA-C 119.987 3.328 . . . . 0.0 119.987 . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -44.98 -47.1 9.59 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 116.605 1.402 . . . . 0.0 116.605 179.234 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -62.81 -55.09 29.51 Favored 'General case' 0 CA--C 1.569 1.705 0 CA-C-O 117.431 -1.271 . . . . 0.0 112.193 176.203 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -52.44 -46.73 66.56 Favored 'General case' 0 N--CA 1.512 2.641 0 CA-C-N 120.363 1.438 . . . . 0.0 111.309 175.463 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.24 -56.01 27.57 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 124.627 1.171 . . . . 0.0 112.984 175.171 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.2 m -55.02 -39.17 68.83 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 124.714 1.206 . . . . 0.0 112.813 176.092 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.35 -44.86 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.954 0.902 . . . . 0.0 112.447 176.869 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 93' ' ' MET . . . . . 0.466 ' HG2' HD23 ' A' ' 133' ' ' LEU . 5.5 mmt -80.06 -44.64 19.71 Favored 'General case' 0 CA--C 1.578 2.024 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 175.85 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.4 p -79.99 -60.01 2.5 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -176.844 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -61.32 -39.7 91.46 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 179.034 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -26.4 67.07 Favored 'General case' 0 CA--C 1.577 2.008 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 177.265 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.0 tpt -84.84 -77.71 0.27 Allowed 'General case' 0 CA--C 1.569 1.681 0 CA-C-N 119.294 0.952 . . . . 0.0 108.567 177.37 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.8 p -167.3 73.92 0.13 Allowed 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 119.548 1.067 . . . . 0.0 109.658 178.586 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -151.65 -144.66 0.15 Allowed 'General case' 0 CA--C 1.578 2.05 0 O-C-N 121.211 -0.93 . . . . 0.0 111.518 -179.148 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.15 116.89 3.76 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 119.714 -1.866 . . . . 0.0 112.588 -179.148 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 101' ' ' ASP . . . . . 0.42 ' O ' ' OG1' ' A' ' 102' ' ' THR . 1.4 t70 -161.85 164.25 28.82 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-N 120.859 1.663 . . . . 0.0 114.844 178.73 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 102' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 101' ' ' ASP . 90.8 m -167.13 -72.31 0.03 OUTLIER 'General case' 0 CA--C 1.579 2.094 0 C-N-CA 125.045 1.338 . . . . 0.0 108.139 178.929 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.72 -160.95 1.18 Allowed 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 124.833 1.253 . . . . 0.0 108.978 177.071 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 69.92 -45.08 0.57 Allowed 'General case' 0 N--CA 1.526 3.36 0 CA-C-N 121.527 1.967 . . . . 0.0 111.883 -174.407 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -62.35 -22.48 66.13 Favored 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 126.151 1.781 . . . . 0.0 113.814 177.148 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.7 tt -53.87 -39.75 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.668 0 CA-C-N 122.884 2.584 . . . . 0.0 109.294 172.769 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 107' ' ' LEU . . . . . 0.441 ' HA ' ' HE1' ' A' ' 162' ' ' PHE . 1.2 mm? -63.31 -48.31 78.6 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 179.199 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.06 -47.16 69.1 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 117.596 -1.192 . . . . 0.0 111.091 175.587 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.78 -43.95 97.4 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 120.819 1.645 . . . . 0.0 114.636 179.051 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 110' ' ' PHE . . . . . 0.478 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.5 t80 -69.69 -46.29 66.36 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 121.174 1.806 . . . . 0.0 111.482 177.259 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . 0.275 10.6 tptp -70.08 -27.66 64.79 Favored 'General case' 0 CA--C 1.576 1.96 0 CA-C-N 120.684 1.584 . . . . 0.0 112.939 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 pp -77.73 -30.48 51.7 Favored 'General case' 0 CA--C 1.579 2.069 0 CA-C-N 122.533 2.424 . . . . 0.0 111.363 172.106 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.36 -49.11 77.21 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 175.534 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -94.69 68.23 3.35 Favored 'General case' 0 CA--C 1.596 2.712 0 O-C-N 123.679 0.612 . . . . 0.0 111.3 -177.748 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.75 -14.93 56.89 Favored 'General case' 0 CA--C 1.591 2.553 0 O-C-N 118.286 -2.759 . . . . 0.0 115.178 178.029 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -78.46 -16.08 57.95 Favored 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 121.955 2.161 . . . . 0.0 113.505 177.299 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 76.5 50.03 0.06 Allowed 'General case' 0 N--CA 1.508 2.426 0 CA-C-O 126.893 3.235 . . . . 0.0 114.816 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.8 p -107.65 -42.4 4.76 Favored 'General case' 0 CA--C 1.574 1.898 0 CA-C-N 109.422 -3.536 . . . . 0.0 109.692 177.202 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 69.7 52.37 20.7 Favored Glycine 0 N--CA 1.481 1.684 0 C-N-CA 126.22 1.867 . . . . 0.0 117.402 -179.688 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.03 113.07 6.12 Favored 'General case' 0 CA--C 1.562 1.437 0 CA-C-N 118.398 1.099 . . . . 0.0 109.429 179.209 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.2 mp -99.9 127.73 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.363 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 176.436 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.96 165.38 12.39 Favored 'General case' 0 CA--C 1.58 2.097 0 CA-C-N 111.765 -2.47 . . . . 0.0 107.052 177.742 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -41.99 -40.02 2.08 Favored 'General case' 0 N--CA 1.515 2.796 0 N-CA-C 118.167 2.654 . . . . 0.0 118.167 -178.65 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -61.74 -39.21 90.79 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 178.665 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -33.44 73.02 Favored 'General case' 0 CA--C 1.585 2.31 0 CA-C-O 117.465 -1.255 . . . . 0.0 109.109 175.767 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.4 mp -56.95 -39.23 74.18 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 122.268 2.304 . . . . 0.0 110.802 171.347 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -56.94 -46.33 82.15 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 123.868 0.867 . . . . 0.0 110.419 171.926 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -56.59 -53.92 51.98 Favored 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 119.197 0.908 . . . . 0.0 112.516 174.089 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 129' ' ' VAL . . . . . 0.471 HG22 HD22 ' A' ' 133' ' ' LEU 0.258 0.2 OUTLIER -58.93 -42.82 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.629 0 CA-C-O 117.078 -1.439 . . . . 0.0 111.687 178.421 . . . . . . . . 4 4 . 1 . 025 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.24 -40.65 67.91 Favored 'General case' 0 CA--C 1.578 2.046 0 CA-C-N 120.496 1.498 . . . . 0.0 112.653 175.04 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -71.44 -46.47 59.96 Favored 'General case' 0 CA--C 1.576 1.949 0 CA-C-N 119.278 0.944 . . . . 0.0 111.62 173.434 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.93 -45.42 67.65 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 177.475 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 133' ' ' LEU . . . . . 0.471 HD22 HG22 ' A' ' 129' ' ' VAL 0.359 7.0 mp -70.4 -19.04 63.04 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 117.804 2.52 . . . . 0.0 117.804 175.26 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.57 -44.5 2.9 Favored Glycine 0 N--CA 1.486 2.03 0 CA-C-N 113.938 -1.483 . . . . 0.0 115.26 -179.775 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.02 93.72 8.66 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -85.0 -17.79 36.47 Favored 'General case' 0 CA--C 1.571 1.775 0 N-CA-C 118.036 2.606 . . . . 0.0 118.036 -178.178 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.294 0.0 OUTLIER 46.43 -116.61 0.67 Allowed 'General case' 0 N--CA 1.505 2.275 0 C-N-CA 126.034 1.734 . . . . 0.0 112.002 -177.931 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.8 t -151.19 165.5 33.75 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 122.668 2.486 . . . . 0.0 109.74 178.12 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -42.6 -49.12 5.51 Favored 'General case' 0 CA--C 1.57 1.743 0 CA-C-N 111.305 -2.68 . . . . 0.0 116.997 176.902 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.88 -44.23 97.23 Favored 'General case' 0 CA--C 1.573 1.854 0 C-N-CA 126.278 1.831 . . . . 0.0 112.226 177.628 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.87 -52.88 63.4 Favored 'General case' 0 N--CA 1.507 2.382 0 CA-C-N 119.388 0.994 . . . . 0.0 110.98 175.001 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.85 -36.68 74.97 Favored 'General case' 0 CA--C 1.574 1.874 0 O-C-N 121.205 -0.935 . . . . 0.0 113.049 175.915 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -69.54 -37.24 76.99 Favored 'General case' 0 CA--C 1.566 1.574 0 CA-C-N 119.455 1.025 . . . . 0.0 111.558 178.154 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -60.24 -40.32 89.82 Favored 'General case' 0 CA--C 1.587 2.395 0 CA-C-N 120.007 1.276 . . . . 0.0 109.726 173.328 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.7 mmm -59.28 -44.22 92.47 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.399 -0.813 . . . . 0.0 111.658 173.225 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.8 mm -58.41 -59.78 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 C-N-CA 124.733 1.213 . . . . 0.0 110.769 174.922 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.54 -31.93 57.3 Favored 'General case' 0 N--CA 1.505 2.323 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -179.276 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.23 -36.69 61.31 Favored 'General case' 0 CA--C 1.599 2.86 0 CA-C-N 121.004 1.729 . . . . 0.0 111.905 172.368 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -75.01 -28.13 60.39 Favored 'General case' 0 CA--C 1.579 2.073 0 N-CA-C 117.767 2.506 . . . . 0.0 117.767 176.372 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.88 32.87 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.642 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 -178.201 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -27.76 61.33 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 119.863 3.282 . . . . 0.0 119.863 -173.43 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.55 -29.88 66.45 Favored 'General case' 0 CA--C 1.584 2.252 0 CA-C-O 116.021 -1.942 . . . . 0.0 111.875 175.192 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 143.61 -30.37 1.96 Allowed Glycine 0 N--CA 1.498 2.775 1 N-CA-C 126.657 5.423 . . . . 0.0 126.657 175.965 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -103.56 16.27 26.87 Favored 'General case' 0 CA--C 1.586 2.331 0 CA-C-N 121.308 2.554 . . . . 0.0 116.097 -176.501 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 84.69 18.49 61.65 Favored Glycine 0 N--CA 1.508 3.473 0 CA-C-N 125.208 3.64 . . . . 0.0 118.951 -179.611 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . 0.27 6.8 pt-20 -147.26 156.99 43.42 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 125.031 1.332 . . . . 0.0 107.831 178.631 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.78 121.03 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 120.0 -1.688 . . . . 0.0 109.554 -173.757 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 85.4 p -99.96 173.13 6.8 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 124.991 1.316 . . . . 0.0 111.467 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -57.53 -46.75 83.48 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -178.182 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -30.11 71.08 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-N 121.159 1.799 . . . . 0.0 112.372 177.696 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -78.21 -23.28 47.56 Favored 'General case' 0 CA--C 1.589 2.446 0 CA-C-N 122.123 2.238 . . . . 0.0 111.725 173.806 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 162' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -61.85 -56.75 16.12 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 126.793 2.037 . . . . 0.0 108.803 173.686 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 163' ' ' LEU . . . . . 0.454 HD22 ' H ' ' A' ' 164' ' ' ARG . 0.0 OUTLIER -80.12 -60.06 2.48 Favored 'General case' 0 CA--C 1.589 2.449 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 176.357 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 164' ' ' ARG . . . . . 0.454 ' H ' HD22 ' A' ' 163' ' ' LEU . 1.4 tmm_? -80.2 -23.38 41.01 Favored 'General case' 0 CA--C 1.573 1.86 1 N-CA-C 122.082 4.105 . . . . 0.0 122.082 -177.972 . . . . . . . . 3 3 . 1 . 025 nuclear build full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.254 8.0 tp . . . . . 0 N--CA 1.526 3.357 0 CA-C-N 122.374 2.352 . . . . 0.0 116.979 -174.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 CA--C 1.575 1.94 0 CA-C-O 117.587 -1.197 . . . . 0.0 114.066 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.34 -48.27 59.08 Favored Glycine 0 N--CA 1.496 2.66 0 CA-C-N 121.602 2.001 . . . . 0.0 115.443 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.83 -42.03 91.06 Favored 'General case' 0 CA--C 1.575 1.935 0 CA-C-O 117.652 -1.166 . . . . 0.0 110.122 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -57.41 -43.74 84.01 Favored 'General case' 0 N--CA 1.506 2.361 0 CA-C-N 121.024 1.738 . . . . 0.0 110.275 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.21 -56.76 17.87 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.924 -1.11 . . . . 0.0 112.826 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.7 m . . . . . 0 N--CA 1.504 2.235 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 176.721 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.513 2.687 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 71.94 -50.85 0.7 Allowed 'General case' 0 N--CA 1.527 3.414 0 O-C-N 118.107 -2.871 . . . . 0.0 112.131 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -51.53 -38.99 56.79 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 126.957 2.103 . . . . 0.0 112.022 175.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.8 tt -57.71 -43.58 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.375 0 CA-C-N 122.119 2.236 . . . . 0.0 111.532 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.524 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 15.6 mt -72.43 -44.64 62.14 Favored 'General case' 0 CA--C 1.563 1.461 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -67.79 -41.29 83.43 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-O 117.794 -1.098 . . . . 0.0 112.996 176.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.82 -43.85 74.73 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 121.088 1.767 . . . . 0.0 112.432 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.448 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.2 t80 -67.31 -46.16 74.37 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 121.19 1.814 . . . . 0.0 111.71 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . 0.25 8.6 tptt -64.49 -32.27 73.83 Favored 'General case' 0 CA--C 1.573 1.855 0 CA-C-O 116.987 -1.482 . . . . 0.0 112.572 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.0 mt -77.25 -19.91 55.93 Favored 'General case' 0 CA--C 1.592 2.571 0 CA-C-N 122.25 2.296 . . . . 0.0 111.287 171.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.7 -45.77 60.81 Favored 'General case' 0 CA--C 1.571 1.781 0 CA-C-N 121.218 1.826 . . . . 0.0 112.633 173.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -80.95 67.7 6.95 Favored 'General case' 0 CA--C 1.592 2.569 0 CA-C-N 119.338 0.972 . . . . 0.0 113.161 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -43.46 -21.61 0.03 OUTLIER 'General case' 0 N--CA 1.519 2.98 0 N-CA-C 117.193 2.294 . . . . 0.0 117.193 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -85.98 -2.83 58.67 Favored 'General case' 0 CA--C 1.585 2.324 0 CA-C-N 120.804 1.638 . . . . 0.0 112.215 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 69.87 -0.48 2.69 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 117.904 2.557 . . . . 0.0 117.904 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 27.6 p -70.14 -40.08 75.01 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 125.774 1.629 . . . . 0.0 112.481 178.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 88.26 57.6 1.87 Allowed Glycine 0 CA--C 1.538 1.478 0 N-CA-C 116.664 1.426 . . . . 0.0 116.664 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -148.17 109.87 4.46 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.2 mp -101.47 124.81 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.625 0 CA-C-N 121.063 1.756 . . . . 0.0 106.533 176.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 62.4 p -104.44 166.64 10.26 Favored 'General case' 0 CA--C 1.587 2.395 0 CA-C-N 113.274 -1.785 . . . . 0.0 107.704 174.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -54.45 -35.31 62.87 Favored 'General case' 0 N--CA 1.511 2.613 0 O-C-N 119.947 -1.721 . . . . 0.0 115.136 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -62.52 -42.03 99.24 Favored 'General case' 0 CA--C 1.583 2.231 0 O-C-N 120.951 -1.093 . . . . 0.0 111.832 177.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -35.66 81.75 Favored 'General case' 0 CA--C 1.579 2.061 0 O-C-N 120.609 -1.307 . . . . 0.0 109.565 174.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.19 -42.64 69.95 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 120.77 1.623 . . . . 0.0 110.272 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -57.27 -49.76 75.03 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-N 119.325 0.966 . . . . 0.0 111.114 174.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -52.97 -51.43 61.55 Favored 'General case' 0 N--CA 1.507 2.409 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 4.0 t -73.26 -34.35 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 CA-C-O 117.881 -1.057 . . . . 0.0 112.29 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.17 83.18 Favored 'General case' 0 CA--C 1.572 1.815 0 CA-C-N 121.09 1.768 . . . . 0.0 112.292 173.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -70.68 -46.28 63.47 Favored 'General case' 0 CA--C 1.574 1.875 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -74.04 -19.99 60.45 Favored 'General case' 0 CA--C 1.57 1.722 0 N-CA-C 119.103 3.001 . . . . 0.0 119.103 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.3 mt -68.99 -73.82 0.14 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.656 1.571 . . . . 0.0 113.244 179.369 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -170.71 -45.52 0.03 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 117.38 1.712 . . . . 0.0 117.38 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -132.96 99.24 4.52 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 119.23 1.515 . . . . 0.0 107.775 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -64.48 146.75 54.07 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 117.104 2.261 . . . . 0.0 117.104 -177.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.406 HD23 ' HG3' ' A' ' 141' ' ' GLU . 6.5 mp -105.73 178.77 4.46 Favored 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 124.799 1.24 . . . . 0.0 112.873 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 15.0 t -97.83 158.45 15.51 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.362 -0.836 . . . . 0.0 110.008 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.22 -46.62 54.79 Favored 'General case' 0 N--CA 1.512 2.668 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.03 -46.3 89.78 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 124.839 1.256 . . . . 0.0 114.118 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.406 ' HG3' HD23 ' A' ' 137' ' ' LEU 0.261 13.5 tp10 -60.21 -48.64 80.87 Favored 'General case' 0 CA--C 1.585 2.294 0 C-N-CA 124.836 1.254 . . . . 0.0 111.564 176.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 16.0 mt -56.29 -36.15 68.32 Favored 'General case' 0 CA--C 1.583 2.233 0 O-C-N 120.104 -1.623 . . . . 0.0 111.082 172.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.438 HE22 HG21 ' A' ' 146' ' ' ILE . 0.7 OUTLIER -67.79 -36.85 81.17 Favored 'General case' 0 C--N 1.372 1.565 0 CA-C-O 117.796 -1.097 . . . . 0.0 111.003 178.172 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -59.66 -40.2 86.98 Favored 'General case' 0 CA--C 1.587 2.401 0 CA-C-N 120.438 1.472 . . . . 0.0 109.748 172.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -41.48 91.25 Favored 'General case' 0 CA--C 1.588 2.438 0 O-C-N 121.136 -0.977 . . . . 0.0 111.419 173.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.438 HG21 HE22 ' A' ' 143' ' ' GLN . 8.4 mm -60.26 -53.56 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 C-N-CA 124.943 1.297 . . . . 0.0 109.644 173.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -53.97 -48.05 70.73 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 117.477 -1.249 . . . . 0.0 111.97 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -59.84 -38.98 83.62 Favored 'General case' 0 N--CA 1.514 2.757 0 CA-C-N 121.175 1.807 . . . . 0.0 113.808 174.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.86 -26.85 54.72 Favored 'General case' 0 CA--C 1.573 1.86 0 N-CA-C 118.97 2.952 . . . . 0.0 118.97 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.261 34.4 t70 -97.19 27.05 4.33 Favored 'General case' 0 CA--C 1.583 2.243 0 N-CA-C 117.963 2.579 . . . . 0.0 117.963 -177.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -27.13 59.87 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 118.988 2.959 . . . . 0.0 118.988 -176.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -123.25 44.81 2.58 Favored 'General case' 0 CA--C 1.588 2.412 0 C-N-CA 125.756 1.622 . . . . 0.0 107.756 176.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -143.32 -153.3 5.84 Favored Glycine 0 CA--C 1.574 3.741 0 CA-C-N 121.842 2.11 . . . . 0.0 113.989 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -128.88 24.45 5.67 Favored 'General case' 0 CA--C 1.602 2.945 0 O-C-N 120.622 -1.516 . . . . 0.0 114.031 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 107.17 17.64 11.34 Favored Glycine 0 CA--C 1.569 3.422 0 O-C-N 117.957 -2.964 . . . . 0.0 115.136 -176.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -160.06 151.33 19.49 Favored 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 127.2 2.2 . . . . 0.0 106.738 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 4.3 t -99.75 116.24 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 119.35 -2.094 . . . . 0.0 107.617 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 6.1 p -101.35 -179.97 4.19 Favored 'General case' 0 CA--C 1.571 1.787 0 CA-C-O 124.55 2.119 . . . . 0.0 111.713 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -48.19 13.17 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 112.78 -2.009 . . . . 0.0 113.772 175.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -57.24 -43.62 83.11 Favored 'General case' 0 CA--C 1.568 1.639 0 O-C-N 119.796 -1.815 . . . . 0.0 114.255 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.256 15.8 mt-10 -75.79 -19.92 58.61 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 120.279 1.4 . . . . 0.0 113.583 175.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.524 ' CE1' ' HA ' ' A' ' 107' ' ' LEU . 23.7 t80 -73.08 -48.23 37.65 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 125.419 1.488 . . . . 0.0 111.975 173.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.07 -20.94 44.02 Favored 'General case' 0 CA--C 1.572 1.821 0 C-N-CA 125.504 1.522 . . . . 0.0 114.072 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -19.99 0.62 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 176.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.501 2.097 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 176.893 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 . . . . . 0 N--CA 1.498 1.95 1 N-CA-C 122.365 4.209 . . . . 0.0 122.365 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -42.81 -50.35 5.98 Favored Glycine 0 N--CA 1.509 3.507 0 CA-C-N 122.154 2.252 . . . . 0.0 117.41 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -61.96 -48.1 81.92 Favored 'General case' 0 CA--C 1.575 1.91 0 C-N-CA 124.724 1.21 . . . . 0.0 113.181 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -56.16 -42.87 77.72 Favored 'General case' 0 N--CA 1.503 2.177 0 C-N-CA 124.83 1.252 . . . . 0.0 111.335 174.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.67 -53.85 52.38 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.72 1.208 . . . . 0.0 110.808 175.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.5 m . . . . . 0 N--CA 1.506 2.341 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 176.522 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.512 2.625 0 CA-C-O 117.303 -1.332 . . . . 0.0 109.047 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 68.19 -59.12 0.44 Allowed 'General case' 0 N--CA 1.534 3.755 0 CA-C-N 124.039 3.109 . . . . 0.0 110.678 -175.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -30.27 34.27 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 126.91 2.084 . . . . 0.0 113.887 174.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.1 tt -58.95 -43.76 89.45 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.731 0 CA-C-N 120.662 1.574 . . . . 0.0 110.863 176.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.452 HD13 ' CZ ' ' A' ' 162' ' ' PHE . 1.2 mm? -70.67 -45.07 65.74 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 118.549 -0.739 . . . . 0.0 112.565 177.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -65.63 -49.81 67.31 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 117.393 -1.289 . . . . 0.0 112.255 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.72 99.55 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 121.058 1.754 . . . . 0.0 114.38 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.512 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 18.3 t80 -71.32 -42.06 69.09 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 121.156 1.798 . . . . 0.0 112.548 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -68.06 -34.18 75.95 Favored 'General case' 0 CA--C 1.581 2.168 0 CA-C-O 116.485 -1.722 . . . . 0.0 111.622 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.0 pp -74.94 -30.68 61.3 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 122.908 2.595 . . . . 0.0 112.56 173.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.553 ' CE1' HG11 ' A' ' 129' ' ' VAL . 1.8 m-30 -55.81 -47.4 77.23 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 119.419 1.008 . . . . 0.0 112.761 173.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -79.26 79.17 5.71 Favored 'General case' 0 CA--C 1.592 2.595 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.925 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.14 -21.01 0.02 OUTLIER 'General case' 0 N--CA 1.517 2.925 0 N-CA-C 117.54 2.422 . . . . 0.0 117.54 175.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -92.06 -4.77 53.98 Favored 'General case' 0 CA--C 1.59 2.492 0 CA-C-N 120.654 1.57 . . . . 0.0 112.635 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 67.92 2.78 3.25 Favored 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . 0.4 ' CB ' ' HZ1' ' A' ' 120' ' ' LYS . 64.6 p -72.14 -52.76 15.16 Favored 'General case' 0 CA--C 1.566 1.571 0 C-N-CA 126.828 2.051 . . . . 0.0 110.068 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 107.32 57.09 0.6 Allowed Glycine 0 CA--C 1.539 1.574 0 N-CA-C 118.884 2.314 . . . . 0.0 118.884 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . 0.4 ' HZ1' ' CB ' ' A' ' 118' ' ' THR . 0.1 OUTLIER -137.71 109.97 7.35 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 120.099 1.95 . . . . 0.0 109.842 174.53 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.35 119.91 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.258 -0.901 . . . . 0.0 109.166 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.4 t -100.3 170.48 8.4 Favored 'General case' 0 CA--C 1.59 2.484 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 172.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -44.0 -38.0 3.27 Favored 'General case' 0 N--CA 1.513 2.707 0 N-CA-C 117.836 2.532 . . . . 0.0 117.836 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -56.93 -46.83 81.77 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.304 5.8 t-20 -66.35 -42.03 88.66 Favored 'General case' 0 N--CA 1.51 2.532 0 CA-C-O 114.794 -2.527 . . . . 0.0 108.575 177.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.419 ' HA ' HG13 ' A' ' 129' ' ' VAL . 4.8 mp -51.56 -38.68 55.47 Favored 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 123.279 2.763 . . . . 0.0 113.329 174.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.345 12.1 ptmt -72.84 -36.9 67.55 Favored 'General case' 0 CA--C 1.589 2.457 0 CA-C-O 115.932 -1.985 . . . . 0.0 110.794 176.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -61.43 -44.88 96.35 Favored 'General case' 0 N--CA 1.517 2.912 0 CA-C-N 124.046 3.112 . . . . 0.0 111.876 173.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.553 HG11 ' CE1' ' A' ' 113' ' ' PHE . 0.2 OUTLIER -59.73 -44.29 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 123.558 0.743 . . . . 0.0 111.325 177.374 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.15 75.85 Favored 'General case' 0 CA--C 1.563 1.448 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -32.26 63.84 Favored 'General case' 0 CA--C 1.585 2.308 0 CA-C-N 120.355 1.434 . . . . 0.0 113.993 174.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -80.11 -34.38 37.91 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 119.173 3.027 . . . . 0.0 119.173 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 15.1 mt -61.68 -67.56 0.4 Allowed 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -178.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -170.99 -39.37 0.03 OUTLIER Glycine 0 N--CA 1.489 2.232 0 N-CA-C 119.185 2.434 . . . . 0.0 119.185 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.5 tt0 -147.78 98.68 3.0 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-N 120.593 2.197 . . . . 0.0 110.639 -178.151 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -67.18 131.36 45.64 Favored 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.83 -115.13 0.08 Allowed 'General case' 0 CA--C 1.574 1.883 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.5 t -154.85 165.52 36.38 Favored 'General case' 0 CA--C 1.559 1.291 0 CA-C-O 124.05 1.881 . . . . 0.0 108.302 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -40.56 -51.07 2.98 Favored 'General case' 0 CA--C 1.569 1.679 0 N-CA-C 117.052 2.242 . . . . 0.0 117.052 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.4 -42.54 98.78 Favored 'General case' 0 CA--C 1.569 1.708 0 C-N-CA 125.258 1.423 . . . . 0.0 113.317 178.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.6 -51.76 68.43 Favored 'General case' 0 N--CA 1.505 2.295 0 CA-C-N 119.05 0.841 . . . . 0.0 110.85 175.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.83 -37.23 73.44 Favored 'General case' 0 CA--C 1.568 1.642 0 O-C-N 121.143 -0.973 . . . . 0.0 113.231 175.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.472 HE21 HG21 ' A' ' 146' ' ' ILE . 24.1 tp60 -71.28 -37.35 71.89 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 118.001 -0.999 . . . . 0.0 111.356 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -60.7 -40.63 92.93 Favored 'General case' 0 CA--C 1.585 2.292 0 CA-C-N 119.665 1.12 . . . . 0.0 109.552 173.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.5 mmm -62.35 -40.41 96.29 Favored 'General case' 0 CA--C 1.582 2.184 0 O-C-N 121.17 -0.956 . . . . 0.0 111.494 173.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.472 HG21 HE21 ' A' ' 143' ' ' GLN . 1.1 mm -59.23 -55.02 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 C-N-CA 124.455 1.102 . . . . 0.0 109.654 174.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -53.4 -42.31 66.84 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -73.19 -27.28 61.54 Favored 'General case' 0 CA--C 1.595 2.71 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 175.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.06 -44.38 20.16 Favored 'General case' 0 CA--C 1.58 2.107 0 C-N-CA 126.299 1.84 . . . . 0.0 115.51 175.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -67.95 60.83 0.07 Allowed 'General case' 0 CA--C 1.594 2.66 0 C-N-CA 127.515 2.326 . . . . 0.0 114.102 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -25.82 63.82 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 117.778 -3.076 . . . . 0.0 118.359 -176.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.47 -35.29 65.67 Favored 'General case' 0 CA--C 1.59 2.497 0 CA-C-N 119.424 1.011 . . . . 0.0 110.531 173.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 106.75 3.66 36.9 Favored Glycine 0 N--CA 1.495 2.591 1 N-CA-C 123.775 4.27 . . . . 0.0 123.775 176.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -89.43 -26.26 21.08 Favored 'General case' 0 N--CA 1.504 2.261 0 CA-C-N 122.347 3.074 . . . . 0.0 114.966 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 127.47 28.28 0.91 Allowed Glycine 0 CA--C 1.551 2.314 0 N-CA-C 117.091 1.596 . . . . 0.0 117.091 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -160.04 149.7 18.0 Favored 'General case' 0 CA--C 1.568 1.645 0 CA-C-N 119.154 1.477 . . . . 0.0 111.228 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 6.6 t -99.78 122.89 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 -177.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 62.8 m -99.89 171.04 8.11 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.305 0.0 OUTLIER -55.85 -45.37 78.48 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 116.023 -1.942 . . . . 0.0 113.357 179.261 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.467 ' HA ' HD11 ' A' ' 163' ' ' LEU . 7.0 mm100 -62.89 -35.64 80.7 Favored 'General case' 0 CA--C 1.579 2.08 0 CA-C-N 123.211 2.732 . . . . 0.0 112.666 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.22 -22.79 59.21 Favored 'General case' 0 N--CA 1.506 2.361 0 CA-C-N 120.966 1.712 . . . . 0.0 112.458 174.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.2 OUTLIER -69.9 -59.06 3.16 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.431 1.493 . . . . 0.0 112.83 176.671 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.467 HD11 ' HA ' ' A' ' 160' ' ' GLN . 0.4 OUTLIER -80.08 -40.33 27.83 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 117.928 -1.034 . . . . 0.0 112.864 -179.03 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -80.1 -19.89 46.34 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 117.258 2.318 . . . . 0.0 117.258 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 N--CA 1.514 2.752 0 C-N-CA 127.635 2.374 . . . . 0.0 117.081 -177.808 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 N--CA 1.515 2.805 0 N-CA-C 119.251 3.056 . . . . 0.0 119.251 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.04 -39.73 26.85 Favored Glycine 0 N--CA 1.495 2.628 0 C-N-CA 125.331 1.443 . . . . 0.0 115.645 177.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -56.37 -47.05 79.67 Favored 'General case' 0 CA--C 1.577 1.998 0 C-N-CA 125.101 1.361 . . . . 0.0 112.332 173.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -63.94 -45.82 87.46 Favored 'General case' 0 CA--C 1.583 2.227 0 CA-C-N 119.439 1.018 . . . . 0.0 110.565 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.0 tp -60.33 -51.65 68.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.614 -1.304 . . . . 0.0 111.717 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.8 m . . . . . 0 N--CA 1.499 2.022 0 C-N-CA 124.067 0.947 . . . . 0.0 113.468 176.73 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.597 2.769 0 CA-C-O 117.535 -1.222 . . . . 0.0 110.858 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 66.87 -50.65 0.47 Allowed 'General case' 0 N--CA 1.539 3.988 0 CA-C-N 124.118 3.145 . . . . 0.0 111.311 -173.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -54.36 -28.6 44.14 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.436 2.295 . . . . 0.0 113.139 173.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.6 tt -54.43 -40.8 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 CA-C-N 121.755 2.07 . . . . 0.0 111.029 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.72 -44.52 73.69 Favored 'General case' 0 CA--C 1.559 1.295 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -68.68 -48.45 63.9 Favored 'General case' 0 CA--C 1.563 1.466 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.723 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.78 95.12 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-O 117.11 -1.424 . . . . 0.0 113.825 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.452 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 9.8 t80 -68.11 -44.26 76.58 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 121.35 1.886 . . . . 0.0 111.741 177.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -65.35 -33.05 75.05 Favored 'General case' 0 CA--C 1.582 2.18 0 CA-C-N 121.265 1.848 . . . . 0.0 111.998 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.4 pp -74.95 -32.49 61.74 Favored 'General case' 0 CA--C 1.582 2.192 0 CA-C-N 122.627 2.467 . . . . 0.0 112.089 173.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -47.62 82.92 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 125.329 1.452 . . . . 0.0 112.516 173.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -92.89 74.85 4.85 Favored 'General case' 0 CA--C 1.597 2.772 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -57.34 -24.7 56.81 Favored 'General case' 0 N--CA 1.51 2.574 0 CA-C-N 123.357 2.799 . . . . 0.0 117.043 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -82.31 -6.28 59.14 Favored 'General case' 0 CA--C 1.588 2.408 0 CA-C-N 121.24 1.836 . . . . 0.0 113.61 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 78.56 -9.38 1.51 Allowed 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 120.902 3.667 . . . . 0.0 120.902 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.7 p -52.06 -40.4 61.1 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 125.798 1.639 . . . . 0.0 113.84 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.86 73.4 1.28 Allowed Glycine 0 CA--C 1.533 1.183 0 N-CA-C 115.971 1.148 . . . . 0.0 115.971 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.45 109.89 2.43 Favored 'General case' 0 CA--C 1.569 1.7 0 C-N-CA 123.85 0.86 . . . . 0.0 111.981 178.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.7 mp -112.29 123.37 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 175.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.3 p -101.2 172.02 7.25 Favored 'General case' 0 CA--C 1.579 2.094 0 CA-C-N 113.201 -1.818 . . . . 0.0 108.02 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 142' ' ' LEU . 2.9 t80 -53.99 -37.35 63.92 Favored 'General case' 0 CA--C 1.588 2.434 0 N-CA-C 116.018 1.859 . . . . 0.0 116.018 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -42.83 91.07 Favored 'General case' 0 CA--C 1.586 2.365 0 O-C-N 120.038 -1.664 . . . . 0.0 112.952 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.26 2.1 t-20 -65.77 -32.33 73.8 Favored 'General case' 0 N--CA 1.514 2.763 0 O-C-N 120.593 -1.317 . . . . 0.0 109.026 175.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 87.6 mt -55.88 -44.73 78.43 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-N 121.388 1.904 . . . . 0.0 110.332 171.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -52.04 -51.53 56.88 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 125.272 1.429 . . . . 0.0 110.808 174.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -59.95 -43.37 95.06 Favored 'General case' 0 N--CA 1.515 2.781 0 C-N-CA 118.433 -1.307 . . . . 0.0 113.638 176.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 47.7 t -70.03 -34.05 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 CA-C-O 118.775 -0.631 . . . . 0.0 111.562 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.54 -52.07 66.17 Favored 'General case' 0 CA--C 1.563 1.458 0 CA-C-N 119.796 1.18 . . . . 0.0 111.369 175.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -68.51 -35.39 77.43 Favored 'General case' 0 CA--C 1.581 2.16 0 CA-C-N 119.648 1.113 . . . . 0.0 113.958 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -72.73 -29.35 63.28 Favored 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 116.266 1.95 . . . . 0.0 116.266 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 13.6 mt -67.47 -73.23 0.14 Allowed 'General case' 0 CA--C 1.563 1.47 0 C-N-CA 125.325 1.45 . . . . 0.0 113.17 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -153.18 -46.16 0.02 OUTLIER Glycine 0 N--CA 1.488 2.117 0 CA-C-O 118.693 -1.059 . . . . 0.0 115.061 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -147.65 133.25 18.79 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 119.275 1.538 . . . . 0.0 109.007 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -81.82 98.48 8.5 Favored 'General case' 0 CA--C 1.561 1.378 0 O-C-N 121.069 -1.019 . . . . 0.0 110.114 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.495 HD23 ' HG2' ' A' ' 141' ' ' GLU . 8.7 mp -70.33 177.63 3.26 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 121.509 0.671 . . . . 0.0 112.545 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.4 t -80.45 156.95 26.36 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 123.074 1.416 . . . . 0.0 112.681 -176.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -41.7 -50.4 4.22 Favored 'General case' 0 CA--C 1.572 1.817 0 N-CA-C 117.766 2.506 . . . . 0.0 117.766 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -62.37 -45.35 93.54 Favored 'General case' 0 CA--C 1.568 1.649 0 C-N-CA 125.638 1.575 . . . . 0.0 113.135 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . 0.495 ' HG2' HD23 ' A' ' 137' ' ' LEU . 6.2 tp10 -58.6 -52.3 66.24 Favored 'General case' 0 CA--C 1.583 2.215 0 C-N-CA 124.383 1.073 . . . . 0.0 111.343 175.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.4 ' HB2' ' CE1' ' A' ' 123' ' ' PHE . 18.1 mt -57.85 -44.6 86.64 Favored 'General case' 0 CA--C 1.583 2.244 0 O-C-N 120.722 -1.236 . . . . 0.0 112.309 175.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.05 -37.36 87.13 Favored 'General case' 0 CA--C 1.572 1.803 0 O-C-N 121.238 -0.914 . . . . 0.0 111.956 177.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.13 -39.51 82.56 Favored 'General case' 0 CA--C 1.585 2.299 0 CA-C-N 120.294 1.407 . . . . 0.0 110.391 173.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.4 mmt -61.68 -38.4 87.67 Favored 'General case' 0 CA--C 1.584 2.261 0 O-C-N 121.335 -0.853 . . . . 0.0 111.245 173.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 7.1 mm -61.75 -53.32 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.684 -1.26 . . . . 0.0 109.883 173.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -51.93 -38.76 57.6 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 119.597 1.089 . . . . 0.0 113.379 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.63 -54.86 37.27 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 123.602 1.668 . . . . 0.0 114.654 170.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.2 97.27 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 118.021 2.6 . . . . 0.0 118.021 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.291 35.6 t70 -70.51 37.31 0.05 OUTLIER 'General case' 0 CA--C 1.595 2.676 0 C-N-CA 126.857 2.063 . . . . 0.0 116.525 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.16 -40.71 11.52 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 120.065 3.357 . . . . 0.0 120.065 -175.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -131.12 52.4 2.06 Favored 'General case' 0 CA--C 1.579 2.074 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -131.9 -153.29 7.38 Favored Glycine 0 CA--C 1.571 3.538 0 O-C-N 120.147 -1.596 . . . . 0.0 113.254 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -137.75 43.74 2.24 Favored 'General case' 0 CA--C 1.605 3.063 0 O-C-N 120.583 -1.539 . . . . 0.0 108.464 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 95.05 19.83 29.83 Favored Glycine 0 CA--C 1.567 3.332 0 O-C-N 117.616 -3.178 . . . . 0.0 114.755 -175.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -160.04 150.16 18.4 Favored 'General case' 0 CA--C 1.572 1.794 0 C-N-CA 126.178 1.791 . . . . 0.0 108.15 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.6 t -99.76 119.23 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 119.989 -1.694 . . . . 0.0 108.384 -174.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 16.6 m -100.01 173.05 6.84 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -51.79 -49.35 62.88 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -36.59 83.97 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 120.73 1.605 . . . . 0.0 113.868 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -75.27 -24.06 57.51 Favored 'General case' 0 CA--C 1.581 2.142 0 CA-C-N 121.725 2.057 . . . . 0.0 112.939 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -62.91 -59.33 4.98 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.141 1.776 . . . . 0.0 109.561 174.179 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.03 -60.05 2.48 Favored 'General case' 0 CA--C 1.579 2.061 0 CA-C-O 118.152 -0.928 . . . . 0.0 112.422 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -80.19 -23.82 40.74 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 121.095 3.739 . . . . 0.0 121.095 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.2 tp . . . . . 0 N--CA 1.518 2.949 0 CA-C-N 123.348 2.795 . . . . 0.0 117.251 -176.401 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 N--CA 1.517 2.902 0 N-CA-C 117.337 2.347 . . . . 0.0 117.337 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.02 -34.67 31.49 Favored Glycine 0 N--CA 1.496 2.647 0 O-C-N 121.251 -0.906 . . . . 0.0 115.332 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.27 -51.75 68.48 Favored 'General case' 0 CA--C 1.568 1.637 0 C-N-CA 125.642 1.577 . . . . 0.0 110.645 175.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.38 -47.25 82.16 Favored 'General case' 0 N--CA 1.5 2.068 0 CA-C-N 120.487 1.494 . . . . 0.0 110.299 173.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.0 tp -56.01 -53.83 52.17 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.3 t . . . . . 0 N--CA 1.497 1.908 0 CA-C-O 117.698 -1.144 . . . . 0.0 112.846 178.102 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.503 2.19 0 CA-C-O 117.241 -1.361 . . . . 0.0 111.19 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 68.84 -42.02 0.48 Allowed 'General case' 0 N--CA 1.529 3.499 0 CA-C-N 123.116 2.689 . . . . 0.0 111.127 -171.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -54.82 -36.98 65.57 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.163 1.785 . . . . 0.0 112.296 175.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.4 tt -59.64 -40.77 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.49 0 CA-C-N 121.434 1.925 . . . . 0.0 111.105 174.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.46 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 3.3 mp -69.53 -48.57 60.04 Favored 'General case' 0 CA--C 1.556 1.211 0 CA-C-O 118.626 -0.702 . . . . 0.0 112.651 178.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -64.99 -41.46 95.38 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-O 117.468 -1.253 . . . . 0.0 111.648 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.8 85.17 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 121.189 1.813 . . . . 0.0 113.961 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.497 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.4 t80 -67.17 -41.57 85.74 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 121.595 1.998 . . . . 0.0 111.477 176.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -67.44 -32.19 72.89 Favored 'General case' 0 CA--C 1.58 2.121 0 CA-C-N 120.078 1.308 . . . . 0.0 112.216 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp -77.12 -26.29 53.07 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-N 122.155 2.252 . . . . 0.0 111.108 171.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -51.95 67.01 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 119.903 1.228 . . . . 0.0 109.387 172.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -68.83 73.28 0.26 Allowed 'General case' 0 CA--C 1.586 2.351 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.73 -15.05 0.08 Allowed 'General case' 0 CA--C 1.606 3.121 0 O-C-N 118.68 -2.513 . . . . 0.0 115.523 173.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 50.9 p30 -88.49 -16.41 32.8 Favored 'General case' 0 CA--C 1.581 2.137 0 C-N-CA 126.089 1.755 . . . . 0.0 112.804 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 78.22 -1.02 2.56 Favored 'General case' 0 CA--C 1.586 2.357 0 C-N-CA 127.642 2.377 . . . . 0.0 115.239 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 33.8 p -81.57 -14.6 56.62 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 118.769 -2.457 . . . . 0.0 115.834 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.09 51.54 22.75 Favored Glycine 0 CA--C 1.539 1.558 0 CA-C-N 121.365 1.893 . . . . 0.0 117.814 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -145.53 109.89 4.97 Favored 'General case' 0 CA--C 1.56 1.337 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.4 mp -109.97 126.2 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 CA-C-O 123.558 1.647 . . . . 0.0 107.742 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.4 p -104.56 176.89 5.01 Favored 'General case' 0 CA--C 1.578 2.052 0 CA-C-N 112.142 -2.299 . . . . 0.0 107.53 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 142' ' ' LEU . 67.3 t80 -56.54 -35.74 68.46 Favored 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -64.88 -39.28 93.3 Favored 'General case' 0 CA--C 1.579 2.078 0 O-C-N 120.543 -1.348 . . . . 0.0 113.267 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.326 24.9 t-20 -73.59 -25.36 60.31 Favored 'General case' 0 CA--C 1.6 2.871 0 CA-C-N 120.194 1.361 . . . . 0.0 109.276 175.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 41.8 mt -57.28 -44.71 84.25 Favored 'General case' 0 N--CA 1.509 2.51 0 CA-C-N 122.109 2.231 . . . . 0.0 109.271 168.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -55.56 -44.24 76.65 Favored 'General case' 0 CA--C 1.568 1.662 0 CA-C-O 117.567 -1.206 . . . . 0.0 110.505 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.42 -54.94 29.61 Favored 'General case' 0 N--CA 1.504 2.229 0 CA-C-N 119.864 1.211 . . . . 0.0 111.649 174.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . 0.267 0.4 OUTLIER -61.82 -40.98 88.9 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.048 0 CA-C-N 119.749 1.159 . . . . 0.0 111.569 177.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.97 -49.75 70.62 Favored 'General case' 0 CA--C 1.581 2.159 0 CA-C-N 120.043 1.292 . . . . 0.0 112.16 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -76.03 -40.8 52.65 Favored 'General case' 0 CA--C 1.578 2.025 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.27 -40.01 84.73 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 115.972 1.842 . . . . 0.0 115.972 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -47.43 74.03 Favored 'General case' 0 CA--C 1.569 1.699 0 C-N-CA 124.766 1.226 . . . . 0.0 111.547 175.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 126.38 -42.78 1.43 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 117.895 1.918 . . . . 0.0 117.895 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -112.07 122.5 47.92 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 118.738 1.269 . . . . 0.0 109.4 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -139.78 171.51 14.12 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 116.723 2.119 . . . . 0.0 116.723 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -88.13 -125.96 0.05 Allowed 'General case' 0 CA--C 1.575 1.925 0 CA-C-N 114.619 -1.173 . . . . 0.0 112.085 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.7 t -141.26 168.1 20.58 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 123.766 1.746 . . . . 0.0 109.278 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -41.6 -51.67 3.93 Favored 'General case' 0 CA--C 1.57 1.741 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.73 -43.74 98.01 Favored 'General case' 0 CA--C 1.572 1.822 0 C-N-CA 125.588 1.555 . . . . 0.0 112.675 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.72 -52.87 63.83 Favored 'General case' 0 N--CA 1.505 2.319 0 C-N-CA 123.518 0.727 . . . . 0.0 110.769 175.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.411 ' HB2' ' CE1' ' A' ' 123' ' ' PHE . 14.2 mt -56.63 -36.15 69.14 Favored 'General case' 0 CA--C 1.573 1.844 0 O-C-N 120.796 -1.19 . . . . 0.0 113.014 175.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.257 22.3 tp60 -71.65 -35.89 70.53 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-O 117.751 -1.118 . . . . 0.0 110.621 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -59.13 -40.94 86.99 Favored 'General case' 0 CA--C 1.584 2.275 0 CA-C-N 120.357 1.435 . . . . 0.0 109.536 171.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 38.5 mmt -59.7 -38.28 81.16 Favored 'General case' 0 CA--C 1.583 2.24 0 C-N-CA 124.279 1.032 . . . . 0.0 112.421 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 146' ' ' ILE . 4.6 mm -65.99 -60.08 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.662 -1.274 . . . . 0.0 110.672 173.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.82 -33.01 69.9 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -34.39 70.97 Favored 'General case' 0 N--CA 1.511 2.601 0 CA-C-N 121.039 1.745 . . . . 0.0 112.366 172.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.75 -37.49 41.08 Favored 'General case' 0 CA--C 1.585 2.31 0 N-CA-C 118.079 2.622 . . . . 0.0 118.079 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.89 20.42 0.0 OUTLIER 'General case' 0 CA--C 1.59 2.507 1 N-CA-C 122.628 4.307 . . . . 0.0 122.628 -177.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.87 -50.19 5.76 Favored 'General case' 0 N--CA 1.499 2.014 1 N-CA-C 124.669 5.063 . . . . 0.0 124.669 -169.049 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -117.63 47.77 1.48 Allowed 'General case' 0 CA--C 1.575 1.908 0 CA-C-N 121.342 1.883 . . . . 0.0 107.86 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -131.49 -129.26 3.03 Favored Glycine 0 CA--C 1.556 2.642 0 O-C-N 120.453 -1.404 . . . . 0.0 113.77 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -144.04 30.83 1.28 Allowed 'General case' 0 CA--C 1.591 2.528 0 CA-C-N 119.445 1.622 . . . . 0.0 109.134 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 92.48 29.61 10.84 Favored Glycine 0 N--CA 1.507 3.425 0 CA-C-N 123.219 2.736 . . . . 0.0 114.686 -175.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -160.04 157.93 29.56 Favored 'General case' 0 CA--C 1.581 2.135 0 C-N-CA 127.934 2.493 . . . . 0.0 104.829 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.79 123.89 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 118.837 -2.414 . . . . 0.0 110.901 -174.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.3 p -99.94 172.47 7.2 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 123.69 1.709 . . . . 0.0 112.126 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.281 0.0 OUTLIER -54.52 -43.45 71.91 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-O 116.891 -1.528 . . . . 0.0 113.285 178.11 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -34.47 77.96 Favored 'General case' 0 CA--C 1.567 1.627 0 CA-C-N 123.062 2.664 . . . . 0.0 113.046 177.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.06 -26.77 60.58 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-N 121.999 2.181 . . . . 0.0 112.326 173.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.0 OUTLIER -65.62 -60.22 3.13 Favored 'General case' 0 CA--C 1.563 1.442 0 CA-C-N 120.576 1.535 . . . . 0.0 110.886 175.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' A' ' 163' ' ' LEU . 1.8 pp -80.45 -60.1 2.45 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 177.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -80.1 -22.44 42.16 Favored 'General case' 0 N--CA 1.491 1.595 1 N-CA-C 123.256 4.539 . . . . 0.0 123.256 -174.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.252 5.5 mm . . . . . 0 CA--C 1.549 0.909 0 CA-C-N 124.396 3.271 . . . . 0.0 111.43 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 CA--C 1.611 3.324 0 CA-C-O 118.171 -0.919 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -42.31 -41.42 3.95 Favored Glycine 0 C--N 1.378 2.873 0 CA-C-N 122.678 2.49 . . . . 0.0 117.051 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -56.5 -53.53 56.37 Favored 'General case' 0 CA--C 1.585 2.3 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.551 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -55.39 -44.88 76.54 Favored 'General case' 0 N--CA 1.507 2.377 0 C-N-CA 124.361 1.065 . . . . 0.0 111.619 171.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 23.0 tp -58.75 -54.44 47.04 Favored 'General case' 0 CA--C 1.566 1.591 0 CA-C-O 116.755 -1.593 . . . . 0.0 111.171 177.274 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.3 t . . . . . 0 N--CA 1.509 2.482 0 CA-C-N 121.588 1.994 . . . . 0.0 112.539 177.792 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.521 3.093 0 N-CA-C 120.13 3.382 . . . . 0.0 120.13 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -44.27 -23.17 0.09 Allowed 'General case' 0 CA--C 1.612 3.352 0 CA-C-N 123.004 2.638 . . . . 0.0 115.934 170.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -52.92 -37.77 61.19 Favored 'General case' 0 C--N 1.373 1.596 0 C-N-CA 126.877 2.071 . . . . 0.0 112.371 173.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.1 tp -59.82 -49.74 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 CA-C-N 122.702 2.501 . . . . 0.0 111.98 178.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.432 ' HA ' ' HE1' ' A' ' 162' ' ' PHE . 1.5 mm? -73.36 -48.03 37.44 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -67.72 -42.61 81.66 Favored 'General case' 0 CA--C 1.562 1.421 0 CA-C-O 115.786 -2.054 . . . . 0.0 112.553 176.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.57 -41.09 76.31 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 123.472 2.851 . . . . 0.0 113.139 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.552 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 11.9 t80 -69.29 -45.8 68.75 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 122.213 2.279 . . . . 0.0 111.102 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . 0.283 5.1 mmtt -66.01 -31.27 72.08 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-N 121.205 1.82 . . . . 0.0 112.72 -178.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 pp -71.64 -30.92 66.29 Favored 'General case' 0 CA--C 1.581 2.16 0 CA-C-N 122.983 2.629 . . . . 0.0 111.524 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.41 ' CZ ' HG21 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -63.02 -47.27 83.8 Favored 'General case' 0 CA--C 1.567 1.614 0 C-N-CA 124.564 1.146 . . . . 0.0 113.072 174.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -84.64 63.7 8.08 Favored 'General case' 0 CA--C 1.596 2.748 0 CA-C-N 119.949 1.25 . . . . 0.0 112.166 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -49.96 -19.55 0.73 Allowed 'General case' 0 N--CA 1.519 2.984 0 O-C-N 118.379 -2.7 . . . . 0.0 116.808 177.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -85.62 -3.08 58.78 Favored 'General case' 0 CA--C 1.591 2.555 0 CA-C-N 121.18 1.809 . . . . 0.0 112.625 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 80.67 -20.64 0.37 Allowed 'General case' 0 N--CA 1.514 2.754 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.9 p -52.53 -39.57 61.54 Favored 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 127.394 2.278 . . . . 0.0 113.75 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 80.62 59.8 2.44 Favored Glycine 0 C--N 1.346 1.133 0 N-CA-C 118.17 2.028 . . . . 0.0 118.17 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -152.81 114.7 4.34 Favored 'General case' 0 CA--C 1.564 1.488 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.2 mp -99.87 127.69 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.433 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.4 p -107.59 172.61 6.73 Favored 'General case' 0 CA--C 1.576 1.944 0 CA-C-N 113.136 -1.847 . . . . 0.0 109.024 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -56.76 -34.38 67.52 Favored 'General case' 0 N--CA 1.507 2.42 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -63.49 -40.19 96.44 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.325 -0.859 . . . . 0.0 112.443 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.05 -35.08 79.58 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-O 117.721 -1.133 . . . . 0.0 108.856 174.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 44.9 mt -54.16 -47.16 72.27 Favored 'General case' 0 N--CA 1.506 2.353 0 CA-C-N 121.271 1.851 . . . . 0.0 110.508 172.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -56.13 -47.03 78.93 Favored 'General case' 0 N--CA 1.503 2.208 0 C-N-CA 123.427 0.691 . . . . 0.0 111.534 174.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -58.24 -50.7 72.65 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.494 -0.754 . . . . 0.0 112.048 174.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.41 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 21.9 t -65.53 -34.28 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.437 0 O-C-N 121.027 -1.046 . . . . 0.0 111.698 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.92 86.28 Favored 'General case' 0 CA--C 1.573 1.86 0 CA-C-N 119.485 1.039 . . . . 0.0 111.324 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -65.29 -39.98 93.26 Favored 'General case' 0 CA--C 1.586 2.344 0 CA-C-N 120.898 1.681 . . . . 0.0 111.484 173.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.34 -51.98 65.0 Favored 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 177.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.464 1.0 OUTLIER -54.48 -52.79 60.77 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 128.473 2.709 . . . . 0.0 115.823 173.107 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.55 -37.54 3.76 Favored Glycine 0 N--CA 1.486 2.005 0 CA-C-N 114.973 -1.012 . . . . 0.0 115.054 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -82.01 89.7 6.44 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-O 122.41 1.1 . . . . 0.0 108.972 179.085 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -91.75 109.48 20.8 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 121.656 0.741 . . . . 0.0 110.979 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.2 -109.09 0.03 OUTLIER 'General case' 0 CA--C 1.563 1.475 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.03 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.8 t -154.49 161.82 41.47 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 124.763 2.22 . . . . 0.0 108.357 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -42.83 -50.12 5.72 Favored 'General case' 0 CA--C 1.568 1.673 0 CA-C-N 111.571 -2.559 . . . . 0.0 117.249 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -63.41 -41.66 98.72 Favored 'General case' 0 CA--C 1.569 1.674 0 C-N-CA 125.652 1.581 . . . . 0.0 113.599 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -61.11 -54.72 41.09 Favored 'General case' 0 CA--C 1.58 2.113 0 C-N-CA 123.795 0.838 . . . . 0.0 110.398 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 10.7 mt -56.41 -39.1 72.49 Favored 'General case' 0 CA--C 1.576 1.944 0 O-C-N 120.681 -1.262 . . . . 0.0 112.918 174.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.458 ' NE2' HG21 ' A' ' 146' ' ' ILE . 33.1 tp60 -68.22 -42.35 79.93 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-O 116.356 -1.783 . . . . 0.0 110.841 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.0 -37.83 77.8 Favored 'General case' 0 CA--C 1.578 2.039 0 CA-C-N 121.104 1.775 . . . . 0.0 110.146 174.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -43.52 95.83 Favored 'General case' 0 N--CA 1.506 2.345 0 CA-C-N 121.107 1.776 . . . . 0.0 110.796 172.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.458 HG21 ' NE2' ' A' ' 143' ' ' GLN . 1.4 mm -56.93 -52.1 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 C-N-CA 123.942 0.897 . . . . 0.0 109.892 172.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -51.07 -39.55 56.28 Favored 'General case' 0 CA--C 1.566 1.578 0 C-N-CA 125.01 1.324 . . . . 0.0 114.256 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -51.83 49.45 Favored 'General case' 0 N--CA 1.506 2.351 0 CA-C-O 122.349 1.071 . . . . 0.0 110.487 173.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.486 ' HB1' ' CG2' ' A' ' 157' ' ' VAL . . . -64.78 -41.6 95.72 Favored 'General case' 0 CA--C 1.575 1.911 0 N-CA-C 120.267 3.432 . . . . 0.0 120.267 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -61.21 72.04 0.01 OUTLIER 'General case' 0 CA--C 1.598 2.804 0 N-CA-C 118.505 2.78 . . . . 0.0 118.505 -176.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -32.3 60.26 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 117.741 -3.1 . . . . 0.0 116.544 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -69.05 -33.27 73.31 Favored 'General case' 0 CA--C 1.579 2.081 0 CA-C-O 118.403 -0.808 . . . . 0.0 113.038 175.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 97.97 -9.43 63.68 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 120.305 2.882 . . . . 0.0 120.305 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -87.59 -34.39 18.55 Favored 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 120.481 2.14 . . . . 0.0 113.978 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 138.97 34.76 0.16 Allowed Glycine 0 CA--C 1.551 2.299 0 N-CA-C 116.756 1.462 . . . . 0.0 116.756 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -160.05 142.2 13.11 Favored 'General case' 0 CA--C 1.574 1.898 0 CA-C-N 119.47 1.635 . . . . 0.0 112.233 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.486 ' CG2' ' HB1' ' A' ' 149' ' ' ALA . 4.4 t -99.95 127.14 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.463 0 C-N-CA 125.167 1.387 . . . . 0.0 110.79 -176.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 70.8 p -100.03 175.28 5.81 Favored 'General case' 0 CA--C 1.568 1.653 0 N-CA-C 116.329 1.974 . . . . 0.0 116.329 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -52.64 -50.12 63.8 Favored 'General case' 0 N--CA 1.511 2.588 0 CA-C-O 117.714 -1.136 . . . . 0.0 113.129 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.442 ' HA ' ' CD1' ' A' ' 163' ' ' LEU . 0.0 OUTLIER -63.87 -30.81 71.86 Favored 'General case' 0 CA--C 1.563 1.453 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -25.21 40.52 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 119.412 1.006 . . . . 0.0 111.605 176.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 110' ' ' PHE 0.256 0.0 OUTLIER -65.68 -60.1 3.25 Favored 'General case' 0 CA--C 1.557 1.224 0 CA-C-N 120.504 1.502 . . . . 0.0 109.365 175.426 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.61 HD12 ' H ' ' A' ' 164' ' ' ARG . 0.4 OUTLIER -80.32 -60.04 2.47 Favored 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 178.46 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.61 ' H ' HD12 ' A' ' 163' ' ' LEU . 0.7 OUTLIER -80.08 -19.91 46.39 Favored 'General case' 0 CA--C 1.582 2.191 0 N-CA-C 119.298 3.073 . . . . 0.0 119.298 -178.007 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.254 7.8 tp . . . . . 0 N--CA 1.517 2.899 0 CA-C-N 123.394 2.816 . . . . 0.0 117.595 -176.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 . . . . . 0 N--CA 1.507 2.402 0 N-CA-C 119.495 3.146 . . . . 0.0 119.495 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -53.74 -36.07 54.04 Favored Glycine 0 N--CA 1.506 3.365 0 CA-C-N 120.807 1.639 . . . . 0.0 115.764 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -69.05 -59.89 2.73 Favored 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 125.741 1.616 . . . . 0.0 111.428 176.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -50.44 -46.77 56.76 Favored 'General case' 0 N--CA 1.506 2.372 0 CA-C-N 120.443 1.474 . . . . 0.0 113.428 176.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.6 tp -65.02 -50.45 66.2 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-O 117.587 -1.197 . . . . 0.0 111.954 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.7 t . . . . . 0 N--CA 1.509 2.514 0 CA-C-N 120.523 1.511 . . . . 0.0 113.259 178.039 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . 0.52 ' HD2' ' H ' ' A' ' 104' ' ' GLU 0.344 0.0 OUTLIER . . . . . 0 N--CA 1.509 2.512 0 CA-C-O 115.869 -2.015 . . . . 0.0 114.779 . . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . 0.52 ' H ' ' HD2' ' A' ' 103' ' ' LYS . 4.1 mm-40 -42.97 -27.04 0.16 Allowed 'General case' 0 CA--C 1.595 2.691 0 CA-C-N 123.766 2.985 . . . . 0.0 117.03 172.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.22 -30.4 70.31 Favored 'General case' 0 C--N 1.362 1.133 0 CA-C-O 115.253 -2.308 . . . . 0.0 113.872 176.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.34 -46.76 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 CA-C-N 125.207 3.639 . . . . 0.0 112.16 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.61 -50.89 32.29 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -67.02 -42.39 84.99 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-O 116.931 -1.509 . . . . 0.0 112.653 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.21 88.38 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-O 115.372 -2.252 . . . . 0.0 112.458 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.45 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.3 t80 -65.29 -47.06 77.94 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-N 122.482 2.401 . . . . 0.0 111.919 177.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -65.08 -35.51 81.38 Favored 'General case' 0 CA--C 1.577 2.006 0 CA-C-N 120.363 1.438 . . . . 0.0 112.941 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.7 pp -74.56 -22.81 58.81 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 122.275 2.307 . . . . 0.0 113.145 172.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -39.14 92.53 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 175.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.21 63.12 0.98 Allowed 'General case' 0 CA--C 1.587 2.387 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.72 -19.03 0.02 OUTLIER 'General case' 0 CA--C 1.596 2.742 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 173.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -79.62 -18.66 51.04 Favored 'General case' 0 CA--C 1.588 2.425 0 CA-C-N 120.452 1.478 . . . . 0.0 111.092 175.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 68.43 58.68 0.42 Allowed 'General case' 0 CA--C 1.581 2.162 0 CA-C-O 125.951 2.786 . . . . 0.0 112.097 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 42.5 p -133.6 -26.36 1.61 Allowed 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 111.691 -2.504 . . . . 0.0 112.121 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 84.55 41.7 7.69 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 117.206 1.642 . . . . 0.0 117.206 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.88 130.63 10.81 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.1 mp -99.85 122.27 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 CA-C-O 123.553 1.645 . . . . 0.0 107.612 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 69.8 p -99.99 165.6 11.46 Favored 'General case' 0 CA--C 1.584 2.287 0 CA-C-N 111.9 -2.409 . . . . 0.0 106.157 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -54.68 -32.37 59.28 Favored 'General case' 0 N--CA 1.511 2.613 0 O-C-N 119.725 -1.86 . . . . 0.0 114.935 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -42.49 98.03 Favored 'General case' 0 CA--C 1.569 1.709 0 O-C-N 121.088 -1.008 . . . . 0.0 112.468 177.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -66.87 -35.36 79.86 Favored 'General case' 0 CA--C 1.585 2.319 0 CA-C-N 120.274 1.397 . . . . 0.0 109.002 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.6 mt -52.43 -46.75 66.52 Favored 'General case' 0 N--CA 1.508 2.453 0 CA-C-N 121.427 1.921 . . . . 0.0 110.431 172.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -58.58 -47.93 82.64 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 123.781 0.832 . . . . 0.0 112.665 174.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 -56.18 -52.23 65.13 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 6.5 t -67.79 -34.48 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.31 0 CA-C-O 118.098 -0.954 . . . . 0.0 111.899 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.38 -53.39 56.75 Favored 'General case' 0 CA--C 1.575 1.912 0 CA-C-N 120.397 1.453 . . . . 0.0 110.135 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -70.05 -42.04 73.42 Favored 'General case' 0 CA--C 1.574 1.897 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -67.39 -20.04 65.49 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 8.8 mt -68.12 -70.44 0.26 Allowed 'General case' 0 CA--C 1.567 1.596 0 CA-C-N 120.381 1.446 . . . . 0.0 111.309 177.511 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 177.6 -47.21 0.1 OUTLIER Glycine 0 N--CA 1.492 2.385 0 N-CA-C 116.694 1.438 . . . . 0.0 116.694 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.23 120.27 5.77 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 105.058 -2.201 . . . . 0.0 105.058 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.32 169.46 8.85 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 118.556 2.799 . . . . 0.0 118.556 -176.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.37 -115.99 0.06 Allowed 'General case' 0 CA--C 1.569 1.695 0 CA-C-N 111.677 -2.511 . . . . 0.0 109.379 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.468 ' O ' HD13 ' A' ' 142' ' ' LEU . 3.8 t -155.81 168.8 26.04 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 122.766 2.53 . . . . 0.0 112.605 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -41.02 -53.4 3.0 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 116.727 2.121 . . . . 0.0 116.727 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.5 -41.4 98.79 Favored 'General case' 0 CA--C 1.569 1.707 0 C-N-CA 125.57 1.548 . . . . 0.0 113.741 178.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . 0.253 11.4 tp10 -62.17 -50.84 70.21 Favored 'General case' 0 CA--C 1.581 2.142 0 C-N-CA 123.969 0.908 . . . . 0.0 109.767 175.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 138' ' ' THR . 3.1 mp -57.03 -37.58 71.94 Favored 'General case' 0 CA--C 1.563 1.461 0 O-C-N 120.022 -1.674 . . . . 0.0 113.349 172.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.25 24.5 tp60 -69.24 -35.86 76.58 Favored 'General case' 0 CA--C 1.562 1.416 0 CA-C-O 116.802 -1.571 . . . . 0.0 110.746 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -65.78 -37.43 86.28 Favored 'General case' 0 CA--C 1.583 2.219 0 CA-C-N 121.008 1.731 . . . . 0.0 109.157 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 36.6 mmt -56.37 -43.92 79.66 Favored 'General case' 0 CA--C 1.586 2.352 0 CA-C-N 120.519 1.508 . . . . 0.0 110.055 172.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 9.1 mm -61.26 -55.59 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 C-N-CA 124.973 1.309 . . . . 0.0 110.202 173.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -41.09 28.37 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -79.97 -36.61 35.85 Favored 'General case' 0 CA--C 1.588 2.44 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 176.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.81 51.41 Favored 'General case' 0 CA--C 1.577 2.016 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -81.32 56.71 2.97 Favored 'General case' 0 CA--C 1.582 2.178 0 O-C-N 120.123 -1.61 . . . . 0.0 111.589 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -30.2 67.79 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 118.402 2.742 . . . . 0.0 118.402 -177.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.63 -34.08 64.83 Favored 'General case' 0 CA--C 1.588 2.436 0 C-N-CA 123.246 0.618 . . . . 0.0 111.133 174.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 93.73 50.0 2.41 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 120.442 2.937 . . . . 0.0 120.442 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -130.0 14.34 5.76 Favored 'General case' 0 CA--C 1.593 2.601 0 CA-C-O 117.778 -1.106 . . . . 0.0 113.408 177.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 78.99 15.56 80.41 Favored Glycine 0 N--CA 1.503 3.113 0 CA-C-N 123.923 3.056 . . . . 0.0 117.323 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -159.86 148.86 17.65 Favored 'General case' 0 CA--C 1.571 1.779 0 CA-C-O 123.263 1.506 . . . . 0.0 111.179 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 10.2 t -99.83 119.43 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 75.7 m -99.96 173.5 6.63 Favored 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 122.603 1.192 . . . . 0.0 112.423 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -54.43 -47.65 72.59 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 117.068 -1.444 . . . . 0.0 114.301 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -36.05 72.46 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 122.225 2.284 . . . . 0.0 114.806 176.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.307 6.5 tp10 -76.33 -30.07 57.52 Favored 'General case' 0 CA--C 1.596 2.73 0 CA-C-N 122.611 2.46 . . . . 0.0 110.176 174.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.45 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -59.95 -57.09 14.38 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 121.963 2.165 . . . . 0.0 112.272 175.69 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.425 ' H ' ' HG ' ' A' ' 163' ' ' LEU . 1.9 pp -80.18 -45.98 17.14 Favored 'General case' 0 CA--C 1.571 1.778 0 CA-C-O 118.095 -0.955 . . . . 0.0 113.341 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -21.2 43.81 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 N--CA 1.518 2.93 0 N-CA-C 118.255 2.687 . . . . 0.0 118.255 -178.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.515 2.787 0 N-CA-C 119.282 3.067 . . . . 0.0 119.282 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.73 -37.33 14.24 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 117.31 1.684 . . . . 0.0 117.31 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -53.23 59.16 Favored 'General case' 0 CA--C 1.567 1.606 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.471 176.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . 0.546 ' CZ ' HG22 ' A' ' 129' ' ' VAL . 8.0 t80 -60.54 -43.1 97.56 Favored 'General case' 0 CA--C 1.585 2.301 0 CA-C-N 119.484 1.038 . . . . 0.0 111.783 176.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 34.7 tp -62.25 -44.73 95.9 Favored 'General case' 0 CA--C 1.572 1.797 0 C-N-CA 123.687 0.795 . . . . 0.0 112.574 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.2 m . . . . . 0 N--CA 1.499 1.984 0 C-N-CA 124.03 0.932 . . . . 0.0 112.545 177.02 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.579 2.078 0 CA-C-O 118.649 -0.691 . . . . 0.0 111.354 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 67.43 -47.37 0.49 Allowed 'General case' 0 N--CA 1.528 3.449 0 CA-C-N 121.428 1.922 . . . . 0.0 112.836 -174.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -62.4 -22.3 66.04 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 116.777 -1.582 . . . . 0.0 113.527 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.7 tt -53.95 -40.03 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.616 0 CA-C-N 122.866 2.575 . . . . 0.0 111.133 172.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.461 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 0.2 OUTLIER -69.91 -47.06 63.92 Favored 'General case' 0 CA--C 1.56 1.352 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 179.487 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -68.83 -41.08 79.05 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 117.663 -1.161 . . . . 0.0 112.106 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.56 -43.07 86.02 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-N 121.09 1.768 . . . . 0.0 113.168 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.473 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.5 t80 -69.44 -45.08 69.94 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 120.68 1.582 . . . . 0.0 111.373 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -32.27 73.46 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-N 120.529 1.513 . . . . 0.0 111.9 177.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.9 mt -76.41 -20.0 57.56 Favored 'General case' 0 CA--C 1.584 2.255 0 CA-C-N 121.897 2.135 . . . . 0.0 111.944 173.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -63.26 -48.34 78.58 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 122.333 2.333 . . . . 0.0 111.301 171.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.9 81.65 2.16 Favored 'General case' 0 CA--C 1.591 2.552 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -42.59 -21.05 0.02 OUTLIER 'General case' 0 N--CA 1.538 3.973 0 CA-C-N 122.601 2.455 . . . . 0.0 114.942 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -89.32 -22.16 22.78 Favored 'General case' 0 CA--C 1.577 2.015 0 O-C-N 120.148 -1.595 . . . . 0.0 112.66 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 76.55 15.66 2.11 Favored 'General case' 0 CA--C 1.582 2.176 0 CA-C-N 120.916 1.689 . . . . 0.0 115.06 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.4 t -85.69 -28.37 24.72 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 125.532 1.533 . . . . 0.0 110.929 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 78.55 71.78 1.21 Allowed Glycine 0 C--N 1.362 1.998 0 N-CA-C 118.45 2.14 . . . . 0.0 118.45 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.04 109.93 1.83 Allowed 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 124.263 1.025 . . . . 0.0 109.572 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.5 mp -110.18 131.86 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 CA-C-O 122.933 1.349 . . . . 0.0 109.101 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.0 p -107.99 174.86 5.69 Favored 'General case' 0 CA--C 1.58 2.134 0 CA-C-O 124.246 1.974 . . . . 0.0 107.487 174.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -50.89 -40.7 57.28 Favored 'General case' 0 N--CA 1.509 2.511 0 N-CA-C 117.214 2.302 . . . . 0.0 117.214 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -59.67 -46.01 90.35 Favored 'General case' 0 CA--C 1.58 2.116 0 C-N-CA 124.128 0.971 . . . . 0.0 113.476 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -30.22 68.0 Favored 'General case' 0 N--CA 1.511 2.62 0 O-C-N 120.523 -1.361 . . . . 0.0 109.418 175.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.475 ' HA ' HG13 ' A' ' 129' ' ' VAL . 73.2 mt -58.64 -36.81 74.7 Favored 'General case' 0 CA--C 1.6 2.868 0 CA-C-N 122.009 2.186 . . . . 0.0 110.342 171.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -60.69 -45.96 92.17 Favored 'General case' 0 N--CA 1.503 2.191 0 C-N-CA 124.598 1.159 . . . . 0.0 109.828 172.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -54.29 -49.16 70.27 Favored 'General case' 0 N--CA 1.507 2.418 0 CA-C-N 119.517 1.053 . . . . 0.0 113.189 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.583 HG23 HD12 ' A' ' 133' ' ' LEU . 0.4 OUTLIER -58.98 -45.45 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.999 0 C-N-CA 124.194 0.998 . . . . 0.0 111.561 177.117 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.36 82.18 Favored 'General case' 0 CA--C 1.575 1.938 0 CA-C-N 118.726 0.693 . . . . 0.0 112.449 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -67.73 -52.37 38.41 Favored 'General case' 0 CA--C 1.577 1.981 0 N-CA-C 115.802 1.778 . . . . 0.0 115.802 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -79.98 -19.99 46.54 Favored 'General case' 0 N--CA 1.49 1.552 1 N-CA-C 122.056 4.095 . . . . 0.0 122.056 -174.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.583 HD12 HG23 ' A' ' 129' ' ' VAL . 14.5 mt -90.44 -87.87 0.18 Allowed 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 116.925 2.195 . . . . 0.0 116.925 -177.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -125.23 -37.75 0.52 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 117.605 1.802 . . . . 0.0 117.605 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -157.36 130.65 7.82 Favored 'General case' 0 N--CA 1.502 2.128 0 CA-C-N 119.898 1.849 . . . . 0.0 113.804 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -82.37 103.33 11.86 Favored 'General case' 0 CA--C 1.565 1.534 0 O-C-N 120.932 -1.105 . . . . 0.0 113.76 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -76.12 177.4 7.17 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-O 122.115 0.96 . . . . 0.0 112.992 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.4 t -96.4 157.65 15.8 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 122.887 1.327 . . . . 0.0 110.063 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -41.49 -51.68 3.81 Favored 'General case' 0 CA--C 1.572 1.82 0 N-CA-C 117.39 2.367 . . . . 0.0 117.39 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.65 -47.17 87.44 Favored 'General case' 0 CA--C 1.573 1.838 0 C-N-CA 125.454 1.502 . . . . 0.0 112.668 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -58.11 -52.18 66.64 Favored 'General case' 0 CA--C 1.581 2.146 0 C-N-CA 124.143 0.977 . . . . 0.0 111.883 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.53 -34.39 72.58 Favored 'General case' 0 CA--C 1.569 1.687 0 O-C-N 120.504 -1.372 . . . . 0.0 112.597 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -68.87 -37.25 78.95 Favored 'General case' 0 CA--C 1.565 1.544 0 CA-C-O 117.421 -1.276 . . . . 0.0 110.42 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.8 -36.58 84.36 Favored 'General case' 0 CA--C 1.587 2.391 0 CA-C-N 120.5 1.5 . . . . 0.0 109.371 172.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.7 mmt -59.92 -42.37 93.76 Favored 'General case' 0 CA--C 1.588 2.44 0 O-C-N 119.908 -1.745 . . . . 0.0 110.188 172.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.6 mm -59.66 -56.11 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 C-N-CA 124.462 1.105 . . . . 0.0 109.123 173.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -41.13 20.48 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -76.17 -48.3 21.01 Favored 'General case' 0 CA--C 1.583 2.237 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.81 -37.78 80.14 Favored 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 117.527 2.417 . . . . 0.0 117.527 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -70.55 53.02 0.14 Allowed 'General case' 0 CA--C 1.589 2.466 0 C-N-CA 126.508 1.923 . . . . 0.0 114.427 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -50.93 -30.1 13.91 Favored 'General case' 0 CA--C 1.573 1.845 0 O-C-N 118.875 -2.391 . . . . 0.0 116.435 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -71.19 -42.93 68.37 Favored 'General case' 0 CA--C 1.586 2.34 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.832 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 119.6 -8.31 12.0 Favored Glycine 0 N--CA 1.496 2.635 1 N-CA-C 124.657 4.623 . . . . 0.0 124.657 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -87.03 -27.47 23.18 Favored 'General case' 0 N--CA 1.506 2.348 0 CA-C-N 122.912 3.356 . . . . 0.0 115.697 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 129.13 26.4 0.91 Allowed Glycine 0 CA--C 1.553 2.42 0 N-CA-C 117.142 1.617 . . . . 0.0 117.142 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -160.01 148.43 17.13 Favored 'General case' 0 CA--C 1.576 1.978 0 CA-C-N 118.816 1.308 . . . . 0.0 108.687 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.7 t -99.87 122.23 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.206 0 O-C-N 120.227 -1.546 . . . . 0.0 109.644 -173.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 87.1 p -99.93 171.55 7.78 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-O 122.898 1.333 . . . . 0.0 113.579 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.256 0.0 OUTLIER -54.98 -44.78 74.74 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 117.254 -1.355 . . . . 0.0 113.247 177.178 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.408 ' HA ' HD11 ' A' ' 163' ' ' LEU . 0.0 OUTLIER -63.44 -37.05 85.78 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 121.757 2.072 . . . . 0.0 113.001 178.018 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -79.27 -19.88 49.46 Favored 'General case' 0 CA--C 1.58 2.119 0 CA-C-N 121.486 1.948 . . . . 0.0 113.12 175.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.0 OUTLIER -66.42 -57.06 8.2 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 121.258 1.844 . . . . 0.0 109.92 174.22 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.509 HD12 ' H ' ' A' ' 164' ' ' ARG . 0.4 OUTLIER -80.13 -56.7 4.04 Favored 'General case' 0 CA--C 1.575 1.911 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.509 ' H ' HD12 ' A' ' 163' ' ' LEU . 0.4 OUTLIER -80.12 -19.83 46.42 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 118.726 2.862 . . . . 0.0 118.726 -179.372 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.257 5.9 tp . . . . . 0 N--CA 1.513 2.711 0 N-CA-C 118.141 2.645 . . . . 0.0 118.141 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 . . . . . 0 N--CA 1.504 2.26 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -46.75 -40.49 12.05 Favored Glycine 0 N--CA 1.501 3.015 0 CA-C-N 121.997 2.18 . . . . 0.0 117.044 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -65.31 -51.2 62.18 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 124.799 1.24 . . . . 0.0 110.367 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -59.85 -39.44 85.17 Favored 'General case' 0 N--CA 1.505 2.286 0 C-N-CA 124.355 1.062 . . . . 0.0 111.659 173.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.94 -52.8 54.37 Favored 'General case' 0 CA--C 1.562 1.435 0 O-C-N 120.617 -1.302 . . . . 0.0 110.879 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.0 m . . . . . 0 N--CA 1.499 2.005 0 CA-C-N 119.522 1.056 . . . . 0.0 112.777 176.101 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER . . . . . 0 N--CA 1.512 2.647 0 CA-C-O 117.583 -1.198 . . . . 0.0 109.379 . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 68.72 -58.27 0.49 Allowed 'General case' 0 N--CA 1.536 3.847 0 CA-C-N 123.406 2.821 . . . . 0.0 110.295 -173.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.1 -42.37 28.75 Favored 'General case' 0 CA--C 1.568 1.635 0 C-N-CA 127.962 2.505 . . . . 0.0 112.826 173.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.403 HG23 HD23 ' A' ' 107' ' ' LEU . 6.9 tt -61.7 -45.09 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 CA-C-N 118.521 0.6 . . . . 0.0 111.978 177.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.403 HD23 HG23 ' A' ' 106' ' ' ILE . 5.5 mt -70.56 -41.33 72.6 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 178.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -67.5 -43.88 79.8 Favored 'General case' 0 CA--C 1.567 1.631 0 CA-C-O 117.209 -1.377 . . . . 0.0 111.765 175.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.47 93.38 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 121.648 2.022 . . . . 0.0 114.432 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.485 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 5.1 t80 -69.82 -42.68 73.35 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 120.058 1.299 . . . . 0.0 111.77 176.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -63.9 -37.73 88.46 Favored 'General case' 0 CA--C 1.578 2.039 0 CA-C-O 116.998 -1.477 . . . . 0.0 110.803 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.25 -29.16 67.01 Favored 'General case' 0 CA--C 1.581 2.148 0 CA-C-N 122.26 2.3 . . . . 0.0 112.068 173.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -39.8 70.48 Favored 'General case' 0 CA--C 1.583 2.215 0 C-N-CA 124.627 1.171 . . . . 0.0 112.589 173.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -99.37 80.74 2.44 Favored 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -15.99 0.58 Allowed 'General case' 0 N--CA 1.513 2.721 0 CA-C-N 123.785 2.993 . . . . 0.0 116.901 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -85.55 3.01 42.49 Favored 'General case' 0 CA--C 1.591 2.548 0 CA-C-N 121.997 2.18 . . . . 0.0 111.252 175.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.262 35.1 tt0 69.3 -1.45 2.17 Favored 'General case' 0 N--CA 1.505 2.297 0 N-CA-C 118.599 2.814 . . . . 0.0 118.599 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.7 p -68.16 -42.36 80.17 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.498 1.519 . . . . 0.0 110.755 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.87 69.18 1.32 Allowed Glycine 0 C--N 1.348 1.209 0 CA-C-O 118.762 -1.021 . . . . 0.0 115.348 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.43 109.94 6.63 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 118.062 0.931 . . . . 0.0 110.87 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.9 mp -116.39 133.24 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 CA-C-O 122.834 1.302 . . . . 0.0 108.987 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.6 p -112.16 167.87 10.06 Favored 'General case' 0 CA--C 1.578 2.055 0 CA-C-N 113.736 -1.575 . . . . 0.0 107.917 173.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.47 -43.48 45.12 Favored 'General case' 0 N--CA 1.522 3.161 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -54.54 -43.68 72.18 Favored 'General case' 0 CA--C 1.575 1.941 0 CA-C-N 114.134 -1.394 . . . . 0.0 113.436 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -69.53 -34.65 74.56 Favored 'General case' 0 CA--C 1.586 2.345 0 CA-C-O 117.253 -1.356 . . . . 0.0 109.239 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 76.2 mt -53.52 -44.92 69.51 Favored 'General case' 0 N--CA 1.51 2.548 0 CA-C-N 122.262 2.301 . . . . 0.0 110.021 171.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -56.58 -49.76 73.94 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 119.565 1.075 . . . . 0.0 111.328 173.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -56.87 -52.0 66.84 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 119.01 -0.519 . . . . 0.0 111.766 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.57 -32.37 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.537 0 C-N-CA 124.142 0.977 . . . . 0.0 112.898 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.39 -55.56 33.5 Favored 'General case' 0 CA--C 1.565 1.549 0 CA-C-O 118.153 -0.927 . . . . 0.0 109.742 174.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -22.85 60.97 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-N 119.984 1.265 . . . . 0.0 114.394 175.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.62 -32.44 41.77 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.0 mt -70.73 -77.98 0.08 Allowed 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 119.992 1.269 . . . . 0.0 112.967 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 178.96 -37.59 0.08 OUTLIER Glycine 0 N--CA 1.491 2.353 0 N-CA-C 120.191 2.836 . . . . 0.0 120.191 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 35.1 tt0 -144.5 95.57 2.73 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 119.273 1.537 . . . . 0.0 109.17 -178.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -105.88 169.4 8.51 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 117.857 2.54 . . . . 0.0 117.857 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.58 -122.76 0.11 Allowed 'General case' 0 CA--C 1.575 1.914 0 CA-C-N 113.704 -1.589 . . . . 0.0 110.496 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.49 ' O ' HD13 ' A' ' 142' ' ' LEU . 5.8 t -141.53 170.53 15.55 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-O 124.627 2.156 . . . . 0.0 108.639 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -40.04 -54.15 2.29 Favored 'General case' 0 CA--C 1.577 2.016 0 CA-C-N 112.113 -2.312 . . . . 0.0 116.232 176.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.44 -43.85 93.05 Favored 'General case' 0 CA--C 1.572 1.794 0 C-N-CA 125.961 1.705 . . . . 0.0 113.011 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -60.17 -49.84 76.06 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-N 118.704 0.684 . . . . 0.0 110.488 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 138' ' ' THR . 2.8 mp -56.88 -41.0 77.26 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 120.363 1.438 . . . . 0.0 113.433 174.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.503 HE21 ' HB ' ' A' ' 146' ' ' ILE . 6.2 tp60 -64.68 -34.6 78.68 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-N 119.747 1.158 . . . . 0.0 110.915 177.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.36 -39.29 93.59 Favored 'General case' 0 CA--C 1.588 2.43 0 CA-C-N 120.537 1.517 . . . . 0.0 109.694 171.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.0 mmt -59.3 -35.09 73.13 Favored 'General case' 0 CA--C 1.581 2.135 0 O-C-N 120.915 -1.115 . . . . 0.0 111.282 173.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.503 ' HB ' HE21 ' A' ' 143' ' ' GLN . 9.7 mm -66.81 -58.8 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 CA-C-O 117.185 -1.388 . . . . 0.0 108.195 173.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -51.31 -48.24 62.38 Favored 'General case' 0 N--CA 1.504 2.259 0 CA-C-N 120.173 1.351 . . . . 0.0 112.238 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -60.58 -39.08 86.74 Favored 'General case' 0 CA--C 1.589 2.461 0 CA-C-N 120.38 1.445 . . . . 0.0 113.286 174.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -71.22 -47.09 59.35 Favored 'General case' 0 CA--C 1.583 2.238 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.94 35.3 0.13 Allowed 'General case' 0 CA--C 1.575 1.906 0 N-CA-C 117.255 2.317 . . . . 0.0 117.255 -178.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -30.33 60.16 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 118.659 2.837 . . . . 0.0 118.659 -175.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.94 39.72 3.9 Favored 'General case' 0 CA--C 1.589 2.48 0 C-N-CA 123.816 0.846 . . . . 0.0 109.389 173.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -127.89 -91.07 0.7 Allowed Glycine 0 C--N 1.371 2.524 0 CA-C-O 116.804 -2.109 . . . . 0.0 110.913 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 21.2 t70 168.16 -48.6 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.488 0 CA-C-N 120.055 1.928 . . . . 0.0 110.953 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -169.1 10.76 0.05 OUTLIER Glycine 0 CA--C 1.562 2.983 0 N-CA-C 119.447 2.539 . . . . 0.0 119.447 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -155.74 139.8 16.42 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 103.352 -2.832 . . . . 0.0 103.352 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.73 122.22 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 120.344 -1.472 . . . . 0.0 113.14 -169.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.432 ' H ' ' CD ' ' A' ' 161' ' ' GLU . 8.9 t -100.01 167.32 10.56 Favored 'General case' 0 CA--C 1.57 1.729 0 CA-C-O 123.194 1.473 . . . . 0.0 108.714 176.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.307 9.0 pt-20 -53.87 -39.18 65.47 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 116.059 -1.924 . . . . 0.0 116.034 -177.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.82 -46.33 89.94 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-N 123.63 2.923 . . . . 0.0 114.263 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.432 ' CD ' ' H ' ' A' ' 158' ' ' SER . 10.4 pm0 -70.12 -23.1 62.97 Favored 'General case' 0 CA--C 1.579 2.065 0 CA-C-N 122.246 2.294 . . . . 0.0 112.552 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -65.89 -57.65 7.4 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.444 1.498 . . . . 0.0 113.577 175.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.8 pp -80.01 -35.26 37.59 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 9.1 mtp-105 -75.96 -58.37 3.32 Favored 'General case' 0 CA--C 1.566 1.594 0 CA-C-N 121.392 1.905 . . . . 0.0 111.583 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.262 9.5 tp . . . . . 0 N--CA 1.51 2.556 0 N-CA-C 118.371 2.73 . . . . 0.0 118.371 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 N--CA 1.515 2.792 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -48.88 -43.57 30.73 Favored Glycine 0 N--CA 1.5 2.963 0 CA-C-N 121.121 1.782 . . . . 0.0 115.968 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.3 -46.93 88.27 Favored 'General case' 0 CA--C 1.581 2.165 0 C-N-CA 124.314 1.046 . . . . 0.0 111.371 175.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -58.31 -37.38 74.97 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.75 -1.219 . . . . 0.0 112.208 173.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.12 -53.54 36.59 Favored 'General case' 0 CA--C 1.566 1.587 0 C-N-CA 124.496 1.118 . . . . 0.0 110.443 175.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.0 m . . . . . 0 N--CA 1.506 2.332 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 175.81 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.584 2.272 0 CA-C-O 115.506 -2.188 . . . . 0.0 111.911 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.3 -61.6 0.23 Allowed 'General case' 0 N--CA 1.535 3.815 0 CA-C-N 125.523 3.783 . . . . 0.0 111.415 -175.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -51.43 -30.77 20.55 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 128.416 2.686 . . . . 0.0 112.198 173.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.8 tt -55.26 -41.2 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.61 0 CA-C-N 121.94 2.154 . . . . 0.0 110.844 172.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.453 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 2.7 mp -68.27 -45.44 73.12 Favored 'General case' 0 CA--C 1.561 1.38 0 CA-C-O 118.937 -0.554 . . . . 0.0 112.255 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -46.32 81.29 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-O 117.854 -1.069 . . . . 0.0 111.202 174.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.5 -45.94 90.25 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 120.618 1.554 . . . . 0.0 114.231 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.444 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.1 t80 -67.53 -45.39 75.85 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 120.559 1.527 . . . . 0.0 111.375 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -33.4 75.81 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-O 116.857 -1.544 . . . . 0.0 113.343 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.2 pp -74.57 -28.66 61.03 Favored 'General case' 0 CA--C 1.573 1.844 0 CA-C-N 122.16 2.254 . . . . 0.0 111.55 171.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.64 -38.98 72.9 Favored 'General case' 0 CA--C 1.57 1.735 0 CA-C-N 119.381 0.992 . . . . 0.0 112.945 172.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -73.51 60.01 0.63 Allowed 'General case' 0 CA--C 1.584 2.256 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -56.52 -15.95 5.17 Favored 'General case' 0 CA--C 1.608 3.207 0 O-C-N 118.802 -2.436 . . . . 0.0 113.322 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -87.36 -17.1 33.13 Favored 'General case' 0 CA--C 1.576 1.956 0 C-N-CA 127.027 2.131 . . . . 0.0 113.858 176.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 68.98 18.81 8.35 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 72.7 p -84.5 -39.65 18.6 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 126.059 1.744 . . . . 0.0 110.92 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.42 43.29 6.24 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 116.366 1.306 . . . . 0.0 116.366 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.14 119.31 5.89 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-N 117.941 0.87 . . . . 0.0 110.419 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.435 HD13 ' CD2' ' A' ' 110' ' ' PHE . 1.1 mp -99.97 120.81 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 N-CA-C 105.111 -2.181 . . . . 0.0 105.111 177.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 59.6 p -99.96 163.25 12.52 Favored 'General case' 0 CA--C 1.583 2.237 0 CA-C-N 111.66 -2.518 . . . . 0.0 107.277 175.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -52.73 -39.26 61.94 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 119.888 -1.757 . . . . 0.0 115.198 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.6 -39.78 94.85 Favored 'General case' 0 CA--C 1.581 2.154 0 O-C-N 121.015 -1.053 . . . . 0.0 112.235 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.46 -35.97 81.61 Favored 'General case' 0 CA--C 1.581 2.149 0 O-C-N 120.455 -1.403 . . . . 0.0 109.222 174.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.5 mt -52.26 -45.78 65.56 Favored 'General case' 0 N--CA 1.503 2.22 0 CA-C-N 120.855 1.662 . . . . 0.0 110.03 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -56.84 -48.73 77.37 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.511 1.124 . . . . 0.0 111.502 173.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -52.62 -55.11 24.72 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-N 119.401 1.001 . . . . 0.0 111.904 175.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 33.1 t -67.18 -37.28 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.259 0 CA-C-O 118.584 -0.722 . . . . 0.0 112.733 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.08 82.63 Favored 'General case' 0 CA--C 1.568 1.668 0 CA-C-N 119.88 1.218 . . . . 0.0 113.544 176.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -27.25 40.72 Favored 'General case' 0 CA--C 1.578 2.026 0 CA-C-O 117.841 -1.076 . . . . 0.0 113.526 175.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.11 -26.38 39.54 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.3 mt -64.07 -73.56 0.12 Allowed 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -179.09 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -173.58 -39.78 0.04 OUTLIER Glycine 0 N--CA 1.49 2.243 0 N-CA-C 117.853 1.901 . . . . 0.0 117.853 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -142.65 104.29 4.35 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 119.348 1.574 . . . . 0.0 107.808 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -69.96 136.92 51.02 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.4 tp -95.39 -114.75 0.12 Allowed 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 118.079 -0.963 . . . . 0.0 109.161 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 14.9 t -152.28 158.2 42.45 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 121.735 2.061 . . . . 0.0 111.958 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -49.11 -45.66 43.72 Favored 'General case' 0 N--CA 1.512 2.675 0 CA-C-N 113.768 -1.56 . . . . 0.0 113.897 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.8 -46.69 88.45 Favored 'General case' 0 CA--C 1.578 2.032 0 C-N-CA 124.842 1.257 . . . . 0.0 113.326 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -57.52 -50.24 73.72 Favored 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 123.964 0.906 . . . . 0.0 112.213 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 11.3 mt -56.86 -40.65 76.54 Favored 'General case' 0 CA--C 1.574 1.883 0 C-N-CA 124.063 0.945 . . . . 0.0 112.195 175.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.42 HE22 HG21 ' A' ' 146' ' ' ILE 0.257 0.6 OUTLIER -67.89 -36.54 80.39 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-O 117.027 -1.464 . . . . 0.0 111.728 179.023 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -62.69 -37.57 86.99 Favored 'General case' 0 CA--C 1.586 2.349 0 CA-C-N 121.578 1.99 . . . . 0.0 109.647 172.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.7 ttp -56.02 -44.92 79.18 Favored 'General case' 0 CA--C 1.587 2.383 0 O-C-N 120.237 -1.539 . . . . 0.0 111.164 172.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.42 HG21 HE22 ' A' ' 143' ' ' GLN . 24.4 mm -60.45 -55.0 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 C-N-CA 124.683 1.193 . . . . 0.0 109.658 173.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.36 -41.64 29.27 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -70.65 -43.32 69.43 Favored 'General case' 0 CA--C 1.588 2.439 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.44 -27.64 56.29 Favored 'General case' 0 CA--C 1.574 1.898 0 N-CA-C 119.852 3.278 . . . . 0.0 119.852 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.302 28.0 t70 -87.27 29.24 0.86 Allowed 'General case' 0 CA--C 1.581 2.147 0 N-CA-C 117.279 2.325 . . . . 0.0 117.279 -177.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -40.12 58.84 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 119.15 3.019 . . . . 0.0 119.15 -176.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.27 8.93 36.03 Favored 'General case' 0 CA--C 1.585 2.292 0 CA-C-O 116.69 -1.624 . . . . 0.0 113.747 178.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -143.06 -151.51 5.5 Favored Glycine 0 CA--C 1.571 3.567 0 CA-C-N 124.291 3.223 . . . . 0.0 112.938 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -123.8 -2.45 8.3 Favored 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 172.23 21.52 0.02 OUTLIER Glycine 0 N--CA 1.497 2.727 0 CA-C-N 123.183 2.719 . . . . 0.0 118.414 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -159.91 150.13 18.6 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 119.52 1.66 . . . . 0.0 109.709 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 4.0 t -99.86 122.21 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 120.795 -1.191 . . . . 0.0 107.818 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 83.6 p -99.94 173.37 6.7 Favored 'General case' 0 CA--C 1.559 1.29 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.62 -46.48 63.62 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -41.54 93.3 Favored 'General case' 0 CA--C 1.576 1.975 0 CA-C-N 120.346 1.43 . . . . 0.0 112.606 174.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -74.24 -19.91 60.35 Favored 'General case' 0 N--CA 1.509 2.476 0 CA-C-N 121.709 2.05 . . . . 0.0 113.822 176.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 107' ' ' LEU . 1.2 t80 -66.82 -56.11 11.88 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 125.919 1.688 . . . . 0.0 109.432 173.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.417 ' H ' ' HG ' ' A' ' 163' ' ' LEU . 0.2 OUTLIER -80.06 -51.83 8.54 Favored 'General case' 0 CA--C 1.579 2.08 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 177.64 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -79.95 -27.96 39.72 Favored 'General case' 0 CA--C 1.589 2.469 0 N-CA-C 118.123 2.638 . . . . 0.0 118.123 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.25 8.0 tp . . . . . 0 N--CA 1.518 2.93 0 C-N-CA 129.64 3.176 . . . . 0.0 119.509 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.7 m-30 . . . . . 0 N--CA 1.497 1.876 0 CA-C-O 117.477 -1.249 . . . . 0.0 113.605 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -57.43 -40.44 92.15 Favored Glycine 0 N--CA 1.497 2.752 0 CA-C-N 120.975 1.716 . . . . 0.0 113.178 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.35 -51.92 65.68 Favored 'General case' 0 CA--C 1.581 2.153 0 C-N-CA 124.066 0.946 . . . . 0.0 111.089 175.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -56.52 -46.0 80.82 Favored 'General case' 0 CA--C 1.587 2.381 0 O-C-N 121.002 -1.061 . . . . 0.0 112.108 174.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 36.6 tp -62.67 -48.92 77.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.777 -1.202 . . . . 0.0 111.46 175.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 3.1 m . . . . . 0 N--CA 1.497 1.914 0 C-N-CA 123.795 0.838 . . . . 0.0 112.049 176.534 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.259 0.0 OUTLIER . . . . . 0 N--CA 1.508 2.471 0 N-CA-C 119.098 2.999 . . . . 0.0 119.098 . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.271 1.5 pt-20 66.92 -44.16 0.44 Allowed 'General case' 0 N--CA 1.533 3.705 0 CA-C-N 123.137 2.698 . . . . 0.0 112.626 -172.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -34.38 52.06 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 126.263 1.825 . . . . 0.0 112.575 173.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.0 tp -58.04 -48.81 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-N 121.206 1.821 . . . . 0.0 109.848 174.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.464 ' HA ' ' HE1' ' A' ' 162' ' ' PHE . 0.4 OUTLIER -67.41 -43.5 81.1 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 117.931 -1.033 . . . . 0.0 113.604 177.314 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -66.79 -45.97 76.74 Favored 'General case' 0 CA--C 1.562 1.419 0 CA-C-O 116.688 -1.625 . . . . 0.0 112.591 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.52 88.27 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 122.252 2.297 . . . . 0.0 114.862 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.522 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 16.1 t80 -70.67 -45.62 64.74 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 117.167 -1.397 . . . . 0.0 111.873 177.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -66.68 -33.35 75.44 Favored 'General case' 0 CA--C 1.576 1.964 0 CA-C-O 116.52 -1.705 . . . . 0.0 111.925 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.03 -33.76 75.19 Favored 'General case' 0 CA--C 1.579 2.071 0 CA-C-N 123.204 2.729 . . . . 0.0 110.998 172.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.24 -44.76 88.43 Favored 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -91.84 61.44 4.13 Favored 'General case' 0 CA--C 1.596 2.714 0 CA-C-N 118.793 0.724 . . . . 0.0 111.939 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -52.91 -17.39 1.38 Allowed 'General case' 0 N--CA 1.515 2.795 0 O-C-N 118.285 -2.76 . . . . 0.0 117.066 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -88.51 -5.87 57.95 Favored 'General case' 0 CA--C 1.583 2.249 0 CA-C-N 121.797 2.09 . . . . 0.0 111.552 175.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 68.59 55.82 0.47 Allowed 'General case' 0 CA--C 1.586 2.347 0 CA-C-O 125.941 2.781 . . . . 0.0 114.143 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 72.5 p -117.69 -42.34 2.86 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 111.839 -2.437 . . . . 0.0 109.77 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 77.31 49.59 7.3 Favored Glycine 0 N--CA 1.48 1.595 0 N-CA-C 117.158 1.623 . . . . 0.0 117.158 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.8 109.98 5.63 Favored 'General case' 0 CA--C 1.569 1.71 0 CA-C-N 118.926 1.363 . . . . 0.0 110.229 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.5 mp -110.49 127.57 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.8 p -99.95 166.75 10.9 Favored 'General case' 0 CA--C 1.58 2.118 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.727 176.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -50.74 -38.3 46.85 Favored 'General case' 0 N--CA 1.514 2.762 0 O-C-N 120.325 -1.484 . . . . 0.0 114.697 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -48.61 80.87 Favored 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 124.127 0.971 . . . . 0.0 112.765 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -30.19 69.17 Favored 'General case' 0 CA--C 1.59 2.494 0 O-C-N 121.558 -0.714 . . . . 0.0 110.816 176.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.63 -43.88 98.03 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 120.919 1.691 . . . . 0.0 110.732 173.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.324 11.8 ptpt -67.64 -32.96 74.01 Favored 'General case' 0 CA--C 1.584 2.25 0 CA-C-N 121.696 2.043 . . . . 0.0 110.403 175.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 64.4 mmt-85 -56.28 -53.56 55.74 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-N 120.953 1.706 . . . . 0.0 109.812 171.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.422 HG12 ' HG ' ' A' ' 133' ' ' LEU 0.319 0.7 OUTLIER -65.71 -32.23 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 CA-C-N 119.207 0.912 . . . . 0.0 111.772 179.052 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.34 -42.62 66.94 Favored 'General case' 0 CA--C 1.574 1.889 0 O-C-N 120.33 -1.481 . . . . 0.0 111.556 173.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -64.81 -46.5 81.77 Favored 'General case' 0 CA--C 1.589 2.471 0 CA-C-N 118.389 0.541 . . . . 0.0 111.053 171.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -74.56 -31.93 62.25 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 120.459 3.503 . . . . 0.0 120.459 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.422 ' HG ' HG12 ' A' ' 129' ' ' VAL . 15.5 mt -55.07 -70.39 0.11 Allowed 'General case' 0 N--CA 1.49 1.531 0 CA-C-N 121.047 1.749 . . . . 0.0 115.641 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -157.11 -49.13 0.01 OUTLIER Glycine 0 CA--C 1.546 2.029 0 CA-C-N 113.018 -1.901 . . . . 0.0 114.866 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.71 143.02 26.17 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 120.024 1.912 . . . . 0.0 110.014 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -81.55 113.31 19.49 Favored 'General case' 0 CA--C 1.562 1.426 0 O-C-N 120.407 -1.433 . . . . 0.0 110.576 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.25 10.9 tp -86.12 -113.52 0.04 OUTLIER 'General case' 0 CA--C 1.57 1.716 0 CA-C-O 117.493 -1.241 . . . . 0.0 108.948 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.7 t -152.34 158.14 42.31 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 122.789 2.54 . . . . 0.0 110.47 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -40.94 -49.41 3.25 Favored 'General case' 0 CA--C 1.567 1.631 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.0 -42.91 97.03 Favored 'General case' 0 CA--C 1.575 1.914 0 C-N-CA 125.67 1.588 . . . . 0.0 112.481 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.19 -54.34 48.05 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 123.84 0.856 . . . . 0.0 110.414 174.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.2 mt -56.48 -35.38 67.9 Favored 'General case' 0 CA--C 1.571 1.788 0 O-C-N 121.046 -1.034 . . . . 0.0 112.684 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.534 HE21 HG21 ' A' ' 146' ' ' ILE . 23.6 tp60 -70.52 -36.71 73.91 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.319 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -62.83 -39.6 94.83 Favored 'General case' 0 CA--C 1.586 2.345 0 CA-C-N 120.391 1.45 . . . . 0.0 109.722 173.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -36.62 83.87 Favored 'General case' 0 CA--C 1.589 2.468 0 CA-C-N 119.216 0.916 . . . . 0.0 111.306 173.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.534 HG21 HE21 ' A' ' 143' ' ' GLN . 1.0 OUTLIER -62.69 -54.2 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 119.86 -1.775 . . . . 0.0 109.812 173.79 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -55.15 -40.13 70.28 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -67.19 -39.1 86.33 Favored 'General case' 0 CA--C 1.593 2.612 0 CA-C-N 119.965 1.257 . . . . 0.0 112.201 172.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.41 -41.63 47.08 Favored 'General case' 0 CA--C 1.579 2.087 0 N-CA-C 119.662 3.208 . . . . 0.0 119.662 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -73.09 54.04 0.38 Allowed 'General case' 0 CA--C 1.584 2.286 0 C-N-CA 127.107 2.163 . . . . 0.0 115.823 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.286 0.1 OUTLIER -52.59 -27.53 17.25 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 119.433 3.124 . . . . 0.0 119.433 -178.46 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -79.76 -40.73 28.1 Favored 'General case' 0 CA--C 1.587 2.377 0 CA-C-O 117.69 -1.148 . . . . 0.0 109.636 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 115.54 136.0 5.89 Favored Glycine 0 CA--C 1.559 2.788 0 N-CA-C 118.673 2.229 . . . . 0.0 118.673 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . 0.266 17.1 t70 126.19 -62.22 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.532 0 C-N-CA 127.82 2.448 . . . . 0.0 109.721 177.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 154.7 39.6 0.02 OUTLIER Glycine 0 N--CA 1.488 2.157 0 N-CA-C 118.814 2.285 . . . . 0.0 118.814 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -153.63 138.6 17.23 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 123.134 1.445 . . . . 0.0 109.722 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.79 123.39 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.847 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 70.1 m -99.9 171.58 7.77 Favored 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 121.64 0.733 . . . . 0.0 112.548 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.46 -49.99 66.25 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 179.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.478 ' HA ' HD11 ' A' ' 163' ' ' LEU . 7.1 pt20 -60.04 -34.74 73.8 Favored 'General case' 0 CA--C 1.576 1.96 0 CA-C-N 120.441 1.473 . . . . 0.0 114.282 176.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.4 -22.22 44.6 Favored 'General case' 0 N--CA 1.503 2.212 0 CA-C-N 120.275 1.398 . . . . 0.0 112.073 175.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -65.13 -56.71 11.39 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 125.98 1.712 . . . . 0.0 110.327 175.319 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 160' ' ' GLN . 0.3 OUTLIER -80.06 -52.01 8.33 Favored 'General case' 0 CA--C 1.577 2.011 0 CA-C-O 118.238 -0.887 . . . . 0.0 112.195 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -80.1 -33.61 38.64 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 118.123 2.638 . . . . 0.0 118.123 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.262 5.6 tp . . . . . 0 N--CA 1.517 2.898 0 N-CA-C 118.821 2.897 . . . . 0.0 118.821 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.512 2.637 0 N-CA-C 119.748 3.24 . . . . 0.0 119.748 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.63 -37.84 42.67 Favored Glycine 0 N--CA 1.499 2.881 0 C-N-CA 125.19 1.376 . . . . 0.0 114.407 176.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -53.84 -58.32 7.68 Favored 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 126.154 1.782 . . . . 0.0 111.193 172.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -57.76 -43.67 85.6 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 120.816 1.644 . . . . 0.0 111.171 175.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.1 tp -60.33 -50.8 72.2 Favored 'General case' 0 CA--C 1.565 1.541 0 O-C-N 121.128 -0.982 . . . . 0.0 111.796 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.8 m . . . . . 0 N--CA 1.495 1.81 0 CA-C-N 119.207 0.912 . . . . 0.0 112.725 176.265 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.51 2.544 0 CA-C-O 117.754 -1.117 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 69.93 -63.81 0.38 Allowed 'General case' 0 N--CA 1.524 3.228 0 CA-C-N 123.222 2.737 . . . . 0.0 112.529 -176.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -67.45 -20.0 65.44 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-O 116.514 -1.708 . . . . 0.0 113.007 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -46.68 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 CA-C-N 123.395 2.816 . . . . 0.0 110.18 174.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -42.65 68.08 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -44.06 79.29 Favored 'General case' 0 CA--C 1.566 1.588 0 CA-C-O 116.936 -1.507 . . . . 0.0 111.705 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.94 78.96 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 122.104 2.229 . . . . 0.0 112.929 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.466 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 6.6 t80 -65.0 -41.71 95.15 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 121.309 1.868 . . . . 0.0 112.618 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -65.47 -38.24 89.19 Favored 'General case' 0 CA--C 1.576 1.975 0 CA-C-O 116.882 -1.532 . . . . 0.0 111.783 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.3 pp -72.83 -29.87 63.58 Favored 'General case' 0 CA--C 1.576 1.97 0 CA-C-N 122.177 2.262 . . . . 0.0 112.388 173.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.4 -42.72 70.78 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 124.992 1.317 . . . . 0.0 112.961 173.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -87.07 80.38 8.38 Favored 'General case' 0 CA--C 1.59 2.485 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.053 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -49.9 -17.46 0.38 Allowed 'General case' 0 CA--C 1.596 2.741 0 N-CA-C 117.484 2.402 . . . . 0.0 117.484 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -103.67 8.92 37.43 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-N 120.813 1.642 . . . . 0.0 112.622 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 69.34 -11.62 0.47 Allowed 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 119.338 3.088 . . . . 0.0 119.338 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.6 t -65.87 -18.37 65.29 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 116.504 2.039 . . . . 0.0 116.504 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 67.46 62.57 4.28 Favored Glycine 0 CA--C 1.541 1.661 0 N-CA-C 119.637 2.615 . . . . 0.0 119.637 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -147.78 109.9 4.55 Favored 'General case' 0 CA--C 1.566 1.577 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 177.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.5 mp -101.64 129.05 53.44 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.688 0 O-C-N 120.997 -1.065 . . . . 0.0 109.731 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.0 p -104.53 171.74 7.17 Favored 'General case' 0 CA--C 1.579 2.091 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.421 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -56.18 -36.95 68.94 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -62.47 -43.9 97.69 Favored 'General case' 0 CA--C 1.577 1.993 0 O-C-N 120.706 -1.246 . . . . 0.0 112.006 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -33.44 75.99 Favored 'General case' 0 CA--C 1.588 2.406 0 O-C-N 120.614 -1.304 . . . . 0.0 109.577 175.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.0 mt -55.75 -44.65 77.8 Favored 'General case' 0 N--CA 1.504 2.227 0 CA-C-N 120.863 1.665 . . . . 0.0 110.914 172.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -56.4 -48.69 76.4 Favored 'General case' 0 CA--C 1.572 1.812 0 C-N-CA 124.038 0.935 . . . . 0.0 111.498 175.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -46.17 89.33 Favored 'General case' 0 N--CA 1.505 2.316 0 CA-C-N 119.279 0.945 . . . . 0.0 112.764 176.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.717 ' O ' HD22 ' A' ' 133' ' ' LEU 0.279 1.9 t -69.72 -37.45 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 CA-C-O 117.008 -1.472 . . . . 0.0 110.304 179.336 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.439 ' CB ' HD13 ' A' ' 137' ' ' LEU . . . -49.78 -48.69 50.33 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-N 121.435 1.925 . . . . 0.0 113.004 174.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -27.97 66.55 Favored 'General case' 0 CA--C 1.593 2.602 0 CA-C-N 119.607 1.094 . . . . 0.0 112.221 172.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.57 -54.96 23.86 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.717 HD22 ' O ' ' A' ' 129' ' ' VAL 0.363 0.8 OUTLIER -44.19 -52.48 7.33 Favored 'General case' 0 CA--C 1.569 1.708 0 N-CA-C 117.198 2.295 . . . . 0.0 117.198 176.088 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 137.42 -47.64 0.94 Allowed Glycine 0 N--CA 1.491 2.319 0 CA-C-N 114.532 -1.213 . . . . 0.0 112.915 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -83.15 138.45 33.65 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -89.26 171.53 9.72 Favored 'General case' 0 CA--C 1.575 1.914 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -176.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.654 HD12 HD11 ' A' ' 142' ' ' LEU 0.289 0.3 OUTLIER -108.07 -172.79 2.13 Favored 'General case' 0 CA--C 1.559 1.311 1 N-CA-C 121.82 4.008 . . . . 0.0 121.82 -173.776 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 9.2 t -156.23 138.87 15.07 Favored 'General case' 0 CA--C 1.562 1.427 0 N-CA-C 105.468 -2.049 . . . . 0.0 105.468 170.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -43.65 -43.05 5.58 Favored 'General case' 0 CA--C 1.574 1.885 0 N-CA-C 117.743 2.497 . . . . 0.0 117.743 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -61.44 -50.92 70.85 Favored 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 127.414 2.286 . . . . 0.0 112.58 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -47.0 84.29 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 120.678 1.581 . . . . 0.0 110.706 176.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.654 HD11 HD12 ' A' ' 137' ' ' LEU . 5.4 mt -57.36 -44.21 84.15 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-N 121.215 1.825 . . . . 0.0 114.234 177.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.435 ' NE2' HG21 ' A' ' 146' ' ' ILE 0.262 0.9 OUTLIER -70.17 -35.14 73.79 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 120.257 1.39 . . . . 0.0 112.285 178.582 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.93 -40.48 95.64 Favored 'General case' 0 CA--C 1.585 2.315 0 CA-C-N 120.746 1.612 . . . . 0.0 110.465 173.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.3 mmt -61.35 -41.78 97.62 Favored 'General case' 0 CA--C 1.576 1.963 0 C-N-CA 123.845 0.858 . . . . 0.0 110.834 174.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.435 HG21 ' NE2' ' A' ' 143' ' ' GLN . 10.0 mm -59.2 -56.33 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-O 116.876 -1.535 . . . . 0.0 110.607 175.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -56.9 -42.29 79.64 Favored 'General case' 0 N--CA 1.505 2.289 0 CA-C-N 120.988 1.722 . . . . 0.0 113.125 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -66.87 -31.82 72.68 Favored 'General case' 0 CA--C 1.597 2.777 0 CA-C-N 120.719 1.6 . . . . 0.0 113.691 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.03 -44.53 19.97 Favored 'General case' 0 CA--C 1.579 2.083 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.289 25.3 t0 -79.81 67.33 5.56 Favored 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 127.719 2.408 . . . . 0.0 109.986 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.28 0.0 OUTLIER -64.61 -26.32 68.35 Favored 'General case' 0 CA--C 1.563 1.444 0 O-C-N 117.61 -3.181 . . . . 0.0 119.21 -173.57 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.89 -24.75 60.89 Favored 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 120.312 1.415 . . . . 0.0 111.905 171.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 88.83 36.65 7.69 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 119.361 2.504 . . . . 0.0 119.361 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -103.47 3.54 35.03 Favored 'General case' 0 CA--C 1.584 2.286 0 CA-C-N 119.07 1.435 . . . . 0.0 114.485 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 92.21 9.71 61.7 Favored Glycine 0 CA--C 1.554 2.476 0 CA-C-N 121.304 1.866 . . . . 0.0 117.095 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -158.09 152.32 24.36 Favored 'General case' 0 CA--C 1.575 1.913 0 CA-C-N 120.054 1.927 . . . . 0.0 112.014 -177.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 7.2 t -99.73 123.6 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.509 0 O-C-N 119.835 -1.791 . . . . 0.0 107.932 -174.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.84 173.94 6.44 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-O 123.055 1.407 . . . . 0.0 113.026 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.42 -50.0 53.13 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 116.21 -1.852 . . . . 0.0 115.943 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.447 ' HA ' ' CD2' ' A' ' 163' ' ' LEU . 0.0 OUTLIER -63.31 -33.96 76.65 Favored 'General case' 0 CA--C 1.576 1.969 0 CA-C-N 122.79 2.541 . . . . 0.0 113.791 177.09 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -27.17 60.3 Favored 'General case' 0 CA--C 1.584 2.25 0 CA-C-N 121.282 1.855 . . . . 0.0 112.055 173.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -61.81 -59.88 4.49 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 126.5 1.92 . . . . 0.0 111.578 175.122 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -80.08 -57.41 3.64 Favored 'General case' 0 CA--C 1.573 1.838 0 CA-C-O 118.093 -0.956 . . . . 0.0 113.083 179.245 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -80.2 -60.12 2.45 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 119.555 3.169 . . . . 0.0 119.555 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.275 0.2 OUTLIER . . . . . 0 CA--C 1.579 2.076 1 C-N-CA 132.694 4.398 . . . . 0.0 106.588 -176.522 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 115.748 1.758 . . . . 0.0 115.748 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -59.79 -50.6 65.99 Favored Glycine 0 N--CA 1.496 2.667 0 CA-C-N 121.706 2.048 . . . . 0.0 115.522 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.78 -52.57 56.19 Favored 'General case' 0 CA--C 1.577 2.007 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.37 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -54.77 -38.1 66.81 Favored 'General case' 0 N--CA 1.505 2.322 0 C-N-CA 124.082 0.953 . . . . 0.0 112.031 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.67 -52.07 65.83 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.372 1.069 . . . . 0.0 110.973 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.2 m . . . . . 0 N--CA 1.501 2.108 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 177.178 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.511 2.596 0 CA-C-O 117.421 -1.276 . . . . 0.0 114.113 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 68.6 -47.99 0.56 Allowed 'General case' 0 N--CA 1.533 3.713 0 CA-C-N 123.598 2.908 . . . . 0.0 111.278 -172.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -59.07 -25.76 64.04 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 127.344 2.258 . . . . 0.0 113.422 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -42.57 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.681 0 CA-C-N 122.309 2.322 . . . . 0.0 110.107 171.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.479 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 22.9 mt -70.65 -42.19 71.15 Favored 'General case' 0 CA--C 1.566 1.57 0 CA-C-O 118.939 -0.553 . . . . 0.0 112.415 178.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -65.48 -42.02 92.67 Favored 'General case' 0 CA--C 1.57 1.717 0 CA-C-N 119.955 1.252 . . . . 0.0 111.358 174.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.65 85.41 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 120.558 1.527 . . . . 0.0 113.663 177.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.483 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 0.4 OUTLIER -66.94 -44.58 80.24 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 119.7 1.136 . . . . 0.0 111.077 175.528 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -65.39 -34.55 78.57 Favored 'General case' 0 CA--C 1.575 1.922 0 CA-C-O 117.466 -1.254 . . . . 0.0 112.734 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 pp -71.83 -28.69 63.74 Favored 'General case' 0 CA--C 1.574 1.893 0 CA-C-N 122.0 2.182 . . . . 0.0 110.746 171.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -36.54 68.85 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 119.435 1.016 . . . . 0.0 112.065 171.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -70.8 54.42 0.16 Allowed 'General case' 0 CA--C 1.597 2.753 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -53.6 -21.83 7.42 Favored 'General case' 0 N--CA 1.516 2.862 0 O-C-N 118.365 -2.71 . . . . 0.0 115.226 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -94.42 -25.1 17.07 Favored 'General case' 0 CA--C 1.589 2.479 0 C-N-CA 124.776 1.23 . . . . 0.0 110.211 176.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 77.19 56.3 0.03 OUTLIER 'General case' 0 CA--C 1.58 2.134 0 CA-C-O 126.19 2.9 . . . . 0.0 112.603 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 68.3 p -105.51 -40.2 5.87 Favored 'General case' 0 CA--C 1.569 1.675 0 CA-C-N 111.313 -2.676 . . . . 0.0 108.64 177.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.82 33.78 12.22 Favored Glycine 0 N--CA 1.487 2.04 0 N-CA-C 118.091 1.996 . . . . 0.0 118.091 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.9 126.4 5.53 Favored 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.5 mp -99.93 124.53 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 CA-C-O 123.152 1.454 . . . . 0.0 107.392 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 58.3 p -99.97 165.52 11.5 Favored 'General case' 0 CA--C 1.583 2.249 0 CA-C-N 112.399 -2.182 . . . . 0.0 107.33 175.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -53.11 -37.97 62.2 Favored 'General case' 0 N--CA 1.512 2.647 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.11 -39.95 93.82 Favored 'General case' 0 CA--C 1.577 2.013 0 O-C-N 121.267 -0.896 . . . . 0.0 112.154 178.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.62 -36.1 82.72 Favored 'General case' 0 CA--C 1.583 2.241 0 CA-C-N 120.678 1.581 . . . . 0.0 109.433 175.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.63 -46.89 70.65 Favored 'General case' 0 N--CA 1.507 2.415 0 CA-C-N 120.184 1.357 . . . . 0.0 110.227 172.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -56.93 -46.44 82.03 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 124.608 1.163 . . . . 0.0 111.817 174.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.3 mtm105 -57.17 -52.29 65.91 Favored 'General case' 0 N--CA 1.506 2.348 0 CA-C-N 119.548 1.067 . . . . 0.0 111.678 176.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.4 HG12 HD12 ' A' ' 133' ' ' LEU . 48.8 t -62.78 -44.69 99.7 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.44 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.173 178.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.77 -45.26 86.2 Favored 'General case' 0 CA--C 1.576 1.949 0 CA-C-N 119.884 1.22 . . . . 0.0 113.225 174.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -64.86 -48.9 72.61 Favored 'General case' 0 CA--C 1.567 1.599 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 176.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.67 -34.35 73.84 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.4 HD12 HG12 ' A' ' 129' ' ' VAL . 23.2 mt -79.07 -56.74 4.15 Favored 'General case' 0 CA--C 1.574 1.889 0 C-N-CA 124.908 1.283 . . . . 0.0 113.484 176.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 140.18 -16.07 2.99 Favored Glycine 0 CA--C 1.562 2.969 0 C-N-CA 125.447 1.498 . . . . 0.0 114.454 -176.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -71.22 60.15 0.28 Allowed 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 125.889 1.675 . . . . 0.0 114.465 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -76.59 -41.7 45.27 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 119.198 -2.189 . . . . 0.0 116.673 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.27 0.0 OUTLIER 34.77 -107.23 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.512 0 CA-C-N 121.177 1.808 . . . . 0.0 112.365 -179.479 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.0 t -158.86 164.32 35.83 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 122.443 2.383 . . . . 0.0 108.31 174.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -42.27 -49.96 4.99 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-N 111.53 -2.577 . . . . 0.0 116.228 176.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -63.92 -39.38 94.03 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 125.723 1.609 . . . . 0.0 113.222 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -59.07 -54.23 49.38 Favored 'General case' 0 N--CA 1.507 2.387 0 CA-C-N 119.939 1.245 . . . . 0.0 109.936 174.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mt -59.72 -38.2 81.01 Favored 'General case' 0 CA--C 1.578 2.031 0 O-C-N 120.948 -1.095 . . . . 0.0 112.533 175.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.4 ' NE2' HG21 ' A' ' 146' ' ' ILE . 27.4 tp60 -69.99 -39.14 76.08 Favored 'General case' 0 CA--C 1.562 1.433 0 CA-C-O 116.682 -1.628 . . . . 0.0 111.407 -178.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.69 -33.6 76.01 Favored 'General case' 0 CA--C 1.581 2.138 0 CA-C-N 121.584 1.993 . . . . 0.0 109.921 173.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.3 mmt -59.75 -45.55 91.88 Favored 'General case' 0 CA--C 1.593 2.605 0 CA-C-N 121.203 1.819 . . . . 0.0 109.523 171.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.4 HG21 ' NE2' ' A' ' 143' ' ' GLN . 4.9 mm -58.23 -54.48 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 C-N-CA 124.398 1.079 . . . . 0.0 111.052 174.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -42.34 50.24 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -32.84 64.58 Favored 'General case' 0 CA--C 1.588 2.438 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.509 ' HB1' HG22 ' A' ' 157' ' ' VAL . . . -78.5 -42.49 29.46 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 118.79 2.885 . . . . 0.0 118.79 178.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.321 36.3 t0 -63.02 72.95 0.02 OUTLIER 'General case' 0 CA--C 1.591 2.551 0 C-N-CA 127.661 2.385 . . . . 0.0 112.987 -178.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -39.96 -50.09 2.5 Favored 'General case' 0 C--N 1.368 1.374 0 N-CA-C 121.506 3.891 . . . . 0.0 121.506 -175.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -102.68 4.84 38.6 Favored 'General case' 0 CA--C 1.581 2.163 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 83.39 31.22 28.34 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 122.308 3.683 . . . . 0.0 122.308 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -91.26 -20.71 21.62 Favored 'General case' 0 CA--C 1.581 2.156 0 CA-C-N 120.873 2.336 . . . . 0.0 115.662 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 112.63 9.91 18.04 Favored Glycine 0 CA--C 1.557 2.7 0 N-CA-C 116.879 1.512 . . . . 0.0 116.879 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -149.52 152.37 35.47 Favored 'General case' 0 CA--C 1.573 1.857 0 CA-C-O 123.9 1.809 . . . . 0.0 112.106 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.509 HG22 ' HB1' ' A' ' 149' ' ' ALA . 6.1 t -99.89 119.34 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.221 0 N-CA-C 104.501 -2.407 . . . . 0.0 104.501 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 58.1 m -99.92 170.95 8.16 Favored 'General case' 0 CA--C 1.566 1.573 0 CA-C-O 122.185 0.993 . . . . 0.0 112.99 -177.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.72 -45.07 77.99 Favored 'General case' 0 N--CA 1.507 2.379 0 CA-C-O 117.134 -1.412 . . . . 0.0 112.814 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -37.59 79.64 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 122.715 2.507 . . . . 0.0 114.586 175.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.282 3.3 tp10 -73.44 -32.79 64.58 Favored 'General case' 0 CA--C 1.587 2.403 0 CA-C-N 122.567 2.44 . . . . 0.0 110.863 174.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -57.86 -57.12 14.19 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.699 1.59 . . . . 0.0 112.292 176.46 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 163' ' ' LEU 0.258 1.7 pp -80.11 -43.09 22.31 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-O 117.669 -1.158 . . . . 0.0 113.699 178.351 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -80.1 -34.81 37.65 Favored 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.7 tp . . . . . 0 N--CA 1.518 2.968 0 N-CA-C 118.505 2.78 . . . . 0.0 118.505 -179.28 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . 0.272 34.5 m-85 . . . . . 0 N--CA 1.508 2.44 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -56.0 -46.62 84.07 Favored Glycine 0 N--CA 1.5 2.946 0 CA-C-N 122.09 2.223 . . . . 0.0 113.5 174.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.89 -56.36 23.26 Favored 'General case' 0 CA--C 1.577 1.999 0 C-N-CA 124.573 1.149 . . . . 0.0 111.509 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -49.38 -48.68 46.73 Favored 'General case' 0 CA--C 1.586 2.349 0 CA-C-N 119.587 1.085 . . . . 0.0 113.047 176.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 44.7 tp -62.6 -47.94 81.58 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.186 0.595 . . . . 0.0 111.885 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER . . . . . 0 N--CA 1.493 1.724 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.634 176.369 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.273 0.0 OUTLIER . . . . . 0 N--CA 1.509 2.52 0 N-CA-C 115.464 1.653 . . . . 0.0 115.464 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 68.99 -50.75 0.59 Allowed 'General case' 0 N--CA 1.526 3.364 0 CA-C-N 122.299 2.318 . . . . 0.0 113.493 -177.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -62.34 -25.42 67.89 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 125.715 1.606 . . . . 0.0 113.269 176.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.1 tt -50.35 -47.48 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 CA-C-N 121.447 1.93 . . . . 0.0 111.968 174.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.438 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 14.8 mt -72.63 -37.73 67.96 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-N 114.321 -1.309 . . . . 0.0 112.22 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -68.86 -35.99 77.59 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-N 120.459 1.481 . . . . 0.0 111.095 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.72 -52.03 62.32 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 121.507 1.958 . . . . 0.0 112.513 177.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.485 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 2.3 t80 -65.47 -44.96 85.53 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 118.916 0.78 . . . . 0.0 111.838 176.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -65.59 -34.04 77.3 Favored 'General case' 0 CA--C 1.571 1.786 0 CA-C-O 117.198 -1.382 . . . . 0.0 112.31 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . 0.253 41.9 mt -73.42 -20.0 60.83 Favored 'General case' 0 CA--C 1.588 2.405 0 CA-C-N 122.306 2.321 . . . . 0.0 111.245 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -46.0 72.09 Favored 'General case' 0 CA--C 1.572 1.821 0 CA-C-N 121.493 1.951 . . . . 0.0 112.478 171.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -86.87 70.23 10.33 Favored 'General case' 0 CA--C 1.59 2.51 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.22 -18.12 0.54 Allowed 'General case' 0 N--CA 1.517 2.905 0 O-C-N 118.399 -2.688 . . . . 0.0 116.539 177.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -86.33 -4.71 59.22 Favored 'General case' 0 CA--C 1.584 2.277 0 CA-C-N 121.455 1.934 . . . . 0.0 112.951 176.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 81.03 -13.9 0.88 Allowed 'General case' 0 N--CA 1.516 2.831 0 N-CA-C 118.537 2.792 . . . . 0.0 118.537 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 35.2 p -57.81 -37.38 73.69 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 126.907 2.083 . . . . 0.0 113.909 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 72.17 56.26 6.45 Favored Glycine 0 N--CA 1.476 1.355 0 N-CA-C 117.399 1.72 . . . . 0.0 117.399 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -145.29 110.32 5.17 Favored 'General case' 0 CA--C 1.56 1.352 0 N-CA-C 106.047 -1.835 . . . . 0.0 106.047 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.92 122.62 52.01 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.3 p -99.96 168.0 10.14 Favored 'General case' 0 CA--C 1.577 1.99 0 CA-C-N 111.917 -2.402 . . . . 0.0 107.58 176.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -55.21 -36.16 65.65 Favored 'General case' 0 N--CA 1.506 2.363 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -64.26 -41.91 96.73 Favored 'General case' 0 CA--C 1.57 1.719 0 O-C-N 121.343 -0.848 . . . . 0.0 112.345 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -33.94 77.05 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-N 120.205 1.366 . . . . 0.0 109.574 174.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 83.9 mt -55.5 -49.26 73.03 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-N 120.062 1.301 . . . . 0.0 111.245 173.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -56.04 -52.78 63.02 Favored 'General case' 0 N--CA 1.499 1.993 0 C-N-CA 124.461 1.104 . . . . 0.0 110.851 175.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.4 mmt-85 -49.63 -52.95 27.04 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 123.372 0.669 . . . . 0.0 112.484 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.5 t -71.67 -39.1 68.81 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.516 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.98 -49.07 66.86 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 119.743 1.156 . . . . 0.0 112.85 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -27.42 51.15 Favored 'General case' 0 CA--C 1.578 2.049 0 CA-C-O 117.664 -1.16 . . . . 0.0 113.336 173.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -77.37 -34.61 54.98 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 117.772 2.508 . . . . 0.0 117.772 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 21.1 mt -70.55 -72.24 0.21 Allowed 'General case' 0 CA--C 1.564 1.519 0 CA-C-N 120.868 1.667 . . . . 0.0 113.42 179.307 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 177.14 -45.95 0.1 Allowed Glycine 0 N--CA 1.487 2.057 0 N-CA-C 116.304 1.282 . . . . 0.0 116.304 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 6.4 mm-40 -101.17 95.14 6.35 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 119.08 1.44 . . . . 0.0 109.386 -179.478 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.24 117.59 23.63 Favored 'General case' 0 CA--C 1.562 1.43 0 O-C-N 121.448 -0.782 . . . . 0.0 111.548 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.88 -122.93 0.03 OUTLIER 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.499 ' O ' HD13 ' A' ' 142' ' ' LEU . 14.7 t -145.91 163.86 33.8 Favored 'General case' 0 CA--C 1.575 1.906 0 O-C-N 120.678 -1.264 . . . . 0.0 109.827 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . 0.262 0.5 OUTLIER -54.19 -43.11 70.45 Favored 'General case' 0 CA--C 1.602 2.976 0 CA-C-N 115.07 -0.968 . . . . 0.0 113.241 -176.842 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -63.9 -43.46 95.94 Favored 'General case' 0 CA--C 1.569 1.691 0 C-N-CA 128.054 2.542 . . . . 0.0 113.222 175.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -55.69 -52.59 63.35 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 120.877 1.671 . . . . 0.0 109.783 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 138' ' ' THR . 1.3 mp -57.57 -39.16 76.08 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 174.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.252 25.8 tp60 -71.28 -35.13 71.24 Favored 'General case' 0 CA--C 1.567 1.614 0 CA-C-N 119.746 1.157 . . . . 0.0 110.66 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -60.69 -40.78 93.43 Favored 'General case' 0 CA--C 1.583 2.248 0 CA-C-N 119.476 1.035 . . . . 0.0 109.424 173.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 52.4 mmm -60.64 -40.41 91.85 Favored 'General case' 0 CA--C 1.579 2.076 0 C-N-CA 124.199 1.0 . . . . 0.0 111.648 173.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.2 mm -65.05 -58.29 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 125.12 1.368 . . . . 0.0 111.804 175.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.46 -36.94 69.61 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.79 -42.37 70.41 Favored 'General case' 0 CA--C 1.591 2.519 0 CA-C-N 119.831 1.196 . . . . 0.0 112.656 172.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.599 ' HB1' HG22 ' A' ' 157' ' ' VAL . . . -77.95 9.65 3.45 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 120.116 3.376 . . . . 0.0 120.116 178.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.251 0.0 OUTLIER -97.77 21.24 10.74 Favored 'General case' 0 CA--C 1.593 2.621 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 -176.678 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -25.15 63.87 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 119.766 3.247 . . . . 0.0 119.766 -176.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -67.63 -23.93 65.41 Favored 'General case' 0 CA--C 1.598 2.809 0 CA-C-N 119.827 1.194 . . . . 0.0 111.068 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 96.36 49.88 1.95 Allowed Glycine 0 N--CA 1.488 2.155 0 N-CA-C 119.924 2.73 . . . . 0.0 119.924 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -135.84 -0.36 2.58 Favored 'General case' 0 CA--C 1.578 2.044 0 CA-C-O 116.905 -1.521 . . . . 0.0 113.759 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 71.31 13.09 73.4 Favored Glycine 0 N--CA 1.509 3.551 0 CA-C-N 123.506 2.866 . . . . 0.0 117.202 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -147.28 174.48 11.59 Favored 'General case' 0 CA--C 1.584 2.26 0 C-N-CA 127.737 2.415 . . . . 0.0 106.505 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.599 HG22 ' HB1' ' A' ' 149' ' ' ALA . 12.2 t -99.92 120.56 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.628 0 O-C-N 117.87 -3.019 . . . . 0.0 105.991 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.94 172.2 7.37 Favored 'General case' 0 CA--C 1.568 1.65 0 CA-C-O 123.613 1.673 . . . . 0.0 112.664 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.25 2.9 pm0 -55.24 -40.33 70.79 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -63.21 -36.74 84.65 Favored 'General case' 0 CA--C 1.583 2.217 0 CA-C-N 120.824 1.647 . . . . 0.0 112.017 175.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -76.75 -20.0 56.99 Favored 'General case' 0 N--CA 1.508 2.439 0 CA-C-N 120.88 1.673 . . . . 0.0 112.3 175.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 3.5 t80 -69.8 -54.17 14.88 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 125.74 1.616 . . . . 0.0 109.946 174.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -47.07 15.44 Favored 'General case' 0 CA--C 1.582 2.183 0 CA-C-O 118.118 -0.944 . . . . 0.0 112.878 176.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -80.07 -21.86 42.9 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 118.413 2.746 . . . . 0.0 118.413 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 3.2 tp . . . . . 0 N--CA 1.522 3.164 0 N-CA-C 118.375 2.732 . . . . 0.0 118.375 -178.698 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 . . . . . 0 N--CA 1.51 2.561 0 N-CA-C 118.75 2.87 . . . . 0.0 118.75 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.18 -49.68 49.16 Favored Glycine 0 N--CA 1.498 2.779 0 CA-C-N 120.781 1.628 . . . . 0.0 114.318 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -57.08 -49.57 75.46 Favored 'General case' 0 CA--C 1.573 1.864 0 C-N-CA 124.264 1.025 . . . . 0.0 113.755 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . 0.268 58.5 t80 -55.45 -45.88 76.82 Favored 'General case' 0 CA--C 1.586 2.365 0 C-N-CA 124.913 1.285 . . . . 0.0 111.979 176.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -53.89 50.5 Favored 'General case' 0 CA--C 1.562 1.44 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.906 174.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.6 t . . . . . 0 N--CA 1.502 2.143 0 CA-C-N 119.103 0.865 . . . . 0.0 112.788 177.173 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.6 pttm . . . . . 0 N--CA 1.512 2.643 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 69.99 -38.9 0.42 Allowed 'General case' 0 N--CA 1.524 3.261 0 O-C-N 119.364 -2.085 . . . . 0.0 111.994 -173.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -54.77 -35.6 63.98 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.013 2.125 . . . . 0.0 111.852 175.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.3 tt -56.91 -42.42 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.366 0 CA-C-N 121.446 1.93 . . . . 0.0 111.529 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.478 ' HA ' ' HE1' ' A' ' 162' ' ' PHE . 1.2 mp -71.54 -43.23 66.79 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 118.301 -0.857 . . . . 0.0 113.088 176.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -66.82 -40.48 88.05 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 120.361 1.437 . . . . 0.0 112.252 175.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.23 -49.54 71.54 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 121.145 1.793 . . . . 0.0 113.416 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.51 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 21.3 t80 -67.76 -44.39 77.61 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 120.001 1.273 . . . . 0.0 112.09 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -66.22 -38.19 87.34 Favored 'General case' 0 CA--C 1.579 2.081 0 CA-C-O 116.804 -1.57 . . . . 0.0 111.207 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.3 mt -74.25 -19.95 60.33 Favored 'General case' 0 CA--C 1.58 2.121 0 CA-C-N 122.765 2.529 . . . . 0.0 112.869 175.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -42.44 78.1 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 121.419 1.918 . . . . 0.0 111.53 172.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -85.83 78.79 9.46 Favored 'General case' 0 CA--C 1.592 2.58 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.75 -18.85 0.3 Allowed 'General case' 0 N--CA 1.516 2.835 0 CA-C-N 123.362 2.801 . . . . 0.0 116.909 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -90.14 -2.99 58.15 Favored 'General case' 0 CA--C 1.592 2.581 0 CA-C-N 121.175 1.807 . . . . 0.0 111.564 175.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 71.12 -5.98 1.42 Allowed 'General case' 0 CA--C 1.578 2.057 0 N-CA-C 117.499 2.407 . . . . 0.0 117.499 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.8 p -56.48 -42.93 79.11 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 125.562 1.545 . . . . 0.0 112.697 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 93.83 69.02 1.08 Allowed Glycine 0 CA--C 1.538 1.495 0 N-CA-C 116.941 1.536 . . . . 0.0 116.941 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.87 109.87 3.9 Favored 'General case' 0 CA--C 1.574 1.885 0 CA-C-N 117.86 0.83 . . . . 0.0 109.753 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.26 131.36 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.563 0 CA-C-N 120.806 1.639 . . . . 0.0 109.13 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 64.6 p -107.41 166.0 10.98 Favored 'General case' 0 CA--C 1.581 2.168 0 CA-C-N 113.231 -1.804 . . . . 0.0 107.481 173.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -48.33 -47.23 37.01 Favored 'General case' 0 N--CA 1.512 2.645 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -56.73 -38.12 71.92 Favored 'General case' 0 CA--C 1.579 2.079 0 CA-C-N 114.266 -1.334 . . . . 0.0 113.423 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.09 -37.34 81.1 Favored 'General case' 0 CA--C 1.59 2.501 0 CA-C-N 121.003 1.728 . . . . 0.0 108.882 174.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 mt -53.08 -45.72 68.31 Favored 'General case' 0 N--CA 1.518 2.943 0 CA-C-N 120.503 1.501 . . . . 0.0 110.803 172.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -56.8 -46.8 81.34 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.747 1.219 . . . . 0.0 111.649 174.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -58.25 6.19 Favored 'General case' 0 N--CA 1.505 2.308 0 CA-C-O 121.475 0.655 . . . . 0.0 112.426 175.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.6 t -65.4 -34.56 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.455 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.717 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.52 -30.45 70.64 Favored 'General case' 0 CA--C 1.578 2.057 0 CA-C-N 119.033 0.833 . . . . 0.0 112.636 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -43.02 35.55 Favored 'General case' 0 CA--C 1.57 1.723 0 CA-C-O 117.174 -1.393 . . . . 0.0 110.294 173.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -54.02 -45.96 71.68 Favored 'General case' 0 N--CA 1.506 2.339 0 CA-C-N 121.199 1.818 . . . . 0.0 113.453 174.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.347 5.4 mp -69.77 -65.7 0.68 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 127.193 2.197 . . . . 0.0 111.735 175.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.11 -32.29 2.01 Favored Glycine 0 CA--C 1.559 2.825 0 N-CA-C 114.72 0.648 . . . . 0.0 114.72 -176.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.41 68.1 0.75 Allowed 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 125.243 1.417 . . . . 0.0 110.53 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -144.79 -93.39 0.1 Allowed 'General case' 0 CA--C 1.567 1.609 0 O-C-N 120.709 -1.244 . . . . 0.0 111.815 -176.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . 0.403 ' CD2' HD23 ' A' ' 142' ' ' LEU 0.254 0.0 OUTLIER -144.69 -146.24 0.18 Allowed 'General case' 0 CA--C 1.582 2.209 0 CA-C-N 120.742 1.61 . . . . 0.0 112.572 -179.214 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.0 t -137.1 171.44 14.5 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 119.972 -1.705 . . . . 0.0 112.222 -177.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -39.9 -54.41 2.17 Favored 'General case' 0 CA--C 1.566 1.571 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.34 -47.65 83.27 Favored 'General case' 0 CA--C 1.57 1.737 0 CA-C-N 113.544 -1.662 . . . . 0.0 112.07 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.58 -43.4 98.9 Favored 'General case' 0 CA--C 1.584 2.284 0 C-N-CA 123.706 0.803 . . . . 0.0 111.952 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.403 HD23 ' CD2' ' A' ' 137' ' ' LEU . 50.2 mt -56.08 -45.56 79.33 Favored 'General case' 0 CA--C 1.58 2.12 0 O-C-N 119.786 -1.821 . . . . 0.0 111.313 173.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.441 HE22 HG21 ' A' ' 146' ' ' ILE . 0.9 OUTLIER -66.4 -32.95 74.65 Favored 'General case' 0 CA--C 1.573 1.846 0 O-C-N 121.209 -0.932 . . . . 0.0 112.772 177.009 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.81 -44.04 97.66 Favored 'General case' 0 CA--C 1.582 2.196 0 CA-C-N 120.496 1.498 . . . . 0.0 110.173 174.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 20.1 ptp -64.55 -34.11 77.48 Favored 'General case' 0 CA--C 1.582 2.183 0 CA-C-N 119.878 1.217 . . . . 0.0 111.448 174.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.441 HG21 HE22 ' A' ' 143' ' ' GLN . 6.9 mm -60.29 -60.04 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 CA-C-N 120.582 1.537 . . . . 0.0 109.505 173.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.36 -35.3 62.63 Favored 'General case' 0 N--CA 1.506 2.337 0 CA-C-N 119.695 1.134 . . . . 0.0 113.537 -178.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -68.94 -40.33 79.04 Favored 'General case' 0 CA--C 1.6 2.871 0 CA-C-N 121.322 1.874 . . . . 0.0 111.788 172.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.28 -24.74 50.97 Favored 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 119.286 3.069 . . . . 0.0 119.286 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.83 27.41 0.02 OUTLIER 'General case' 0 CA--C 1.584 2.254 0 N-CA-C 120.799 3.629 . . . . 0.0 120.799 -176.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -33.6 57.28 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 118.365 2.728 . . . . 0.0 118.365 -176.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -71.3 -26.5 62.88 Favored 'General case' 0 CA--C 1.578 2.042 0 CA-C-O 116.415 -1.755 . . . . 0.0 113.357 175.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 149.58 138.0 2.86 Favored Glycine 0 CA--C 1.554 2.481 0 CA-C-N 123.241 2.746 . . . . 0.0 119.918 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.55 7.44 0.06 Allowed 'General case' 0 CA--C 1.579 2.076 1 N-CA-C 122.281 4.178 . . . . 0.0 122.281 173.59 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 104.56 41.87 1.95 Allowed Glycine 0 N--CA 1.496 2.669 0 CA-C-N 124.212 3.187 . . . . 0.0 118.038 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.26 145.39 20.51 Favored 'General case' 0 CA--C 1.572 1.82 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.3 t -99.82 121.22 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 C-N-CA 124.137 0.975 . . . . 0.0 109.914 -174.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.7 t -100.22 175.38 5.75 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-O 124.075 1.893 . . . . 0.0 112.109 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -50.05 59.86 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 115.584 -2.15 . . . . 0.0 115.369 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.505 ' HA ' HD11 ' A' ' 163' ' ' LEU . 3.4 pp0? -62.16 -32.28 72.87 Favored 'General case' 0 CA--C 1.573 1.852 0 CA-C-N 123.641 2.928 . . . . 0.0 114.543 178.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.431 ' H ' ' HG2' ' A' ' 161' ' ' GLU . 0.5 OUTLIER -75.15 -29.92 60.61 Favored 'General case' 0 CA--C 1.577 1.984 0 CA-C-N 120.616 1.553 . . . . 0.0 111.906 175.038 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.51 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.3 OUTLIER -62.79 -58.43 7.44 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 125.471 1.508 . . . . 0.0 112.787 176.13 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.505 HD11 ' HA ' ' A' ' 160' ' ' GLN . 0.4 OUTLIER -80.07 -33.31 39.03 Favored 'General case' 0 CA--C 1.574 1.897 0 N-CA-C 113.985 1.105 . . . . 0.0 113.985 -178.254 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -75.64 -19.91 58.87 Favored 'General case' 0 CA--C 1.576 1.953 0 CA-C-N 121.45 1.932 . . . . 0.0 116.046 177.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 N--CA 1.521 3.095 0 N-CA-C 118.196 2.665 . . . . 0.0 118.196 -179.709 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 117.331 -1.318 . . . . 0.0 114.119 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.12 -45.74 95.45 Favored Glycine 0 N--CA 1.491 2.362 0 CA-C-N 121.567 1.985 . . . . 0.0 115.43 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.5 -55.51 13.27 Favored 'General case' 0 CA--C 1.572 1.812 0 CA-C-O 117.092 -1.432 . . . . 0.0 111.193 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -47.51 -49.31 26.29 Favored 'General case' 0 N--CA 1.507 2.394 0 CA-C-N 120.399 1.454 . . . . 0.0 114.238 177.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.25 -47.85 75.31 Favored 'General case' 0 CA--C 1.563 1.443 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.703 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.4 m . . . . . 0 N--CA 1.502 2.141 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 175.607 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.259 0.0 OUTLIER . . . . . 0 N--CA 1.509 2.48 0 N-CA-C 115.89 1.811 . . . . 0.0 115.89 . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 66.42 -48.66 0.44 Allowed 'General case' 0 N--CA 1.524 3.266 0 CA-C-N 122.326 2.33 . . . . 0.0 112.031 -172.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -35.06 6.15 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 128.587 2.755 . . . . 0.0 114.466 175.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.0 tt -60.48 -41.32 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 CA-C-N 120.497 1.498 . . . . 0.0 111.701 176.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.496 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 0.5 OUTLIER -71.78 -46.91 56.78 Favored 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -179.776 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -67.62 -41.26 84.22 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 117.487 -1.244 . . . . 0.0 112.534 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.16 -44.65 75.49 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 121.068 1.758 . . . . 0.0 113.167 178.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.522 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 6.3 t80 -67.15 -43.9 81.13 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.61 2.004 . . . . 0.0 112.836 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . 0.25 7.6 tptt -67.75 -32.42 73.02 Favored 'General case' 0 CA--C 1.58 2.12 0 CA-C-N 120.977 1.717 . . . . 0.0 111.826 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.3 mt -80.02 -19.94 46.55 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-N 122.401 2.364 . . . . 0.0 112.179 172.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -43.77 90.61 Favored 'General case' 0 CA--C 1.568 1.667 0 CA-C-N 121.642 2.019 . . . . 0.0 111.58 172.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -83.98 84.48 7.57 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-O 118.263 -0.875 . . . . 0.0 108.938 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -44.39 -15.67 0.02 OUTLIER 'General case' 0 CA--C 1.604 3.035 0 N-CA-C 117.782 2.512 . . . . 0.0 117.782 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -99.51 -11.26 21.22 Favored 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 120.619 1.554 . . . . 0.0 112.77 176.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 71.04 1.02 3.63 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 -177.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -69.78 -26.28 64.2 Favored 'General case' 0 CA--C 1.582 2.175 0 C-N-CA 125.566 1.546 . . . . 0.0 111.109 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 77.15 69.09 1.43 Allowed Glycine 0 C--N 1.359 1.813 0 N-CA-C 120.595 2.998 . . . . 0.0 120.595 175.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -149.5 109.87 4.19 Favored 'General case' 0 CA--C 1.568 1.64 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.16 128.11 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 CA-C-O 122.544 1.164 . . . . 0.0 108.711 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.9 p -102.45 170.81 7.83 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-N 112.991 -1.913 . . . . 0.0 107.724 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.444 ' HE1' HD22 ' A' ' 142' ' ' LEU . 4.7 t80 -56.06 -35.05 66.51 Favored 'General case' 0 N--CA 1.511 2.591 0 O-C-N 120.442 -1.411 . . . . 0.0 114.68 179.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -45.79 86.6 Favored 'General case' 0 CA--C 1.578 2.029 0 O-C-N 120.551 -1.343 . . . . 0.0 112.66 178.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -67.97 -31.91 71.96 Favored 'General case' 0 CA--C 1.576 1.98 0 O-C-N 121.062 -1.024 . . . . 0.0 111.471 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.5 mt -56.83 -48.33 78.28 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 120.708 1.595 . . . . 0.0 111.263 174.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.337 0.0 OUTLIER -70.6 -28.26 64.73 Favored 'General case' 0 CA--C 1.581 2.145 0 CA-C-O 116.647 -1.644 . . . . 0.0 111.034 177.218 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -57.4 -57.2 13.71 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 121.832 2.105 . . . . 0.0 108.506 172.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 133' ' ' LEU 0.337 0.1 OUTLIER -67.53 -41.89 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 CA-C-O 117.399 -1.286 . . . . 0.0 111.973 -178.92 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -45.05 -46.78 11.64 Favored 'General case' 0 CA--C 1.576 1.976 0 CA-C-N 121.269 1.85 . . . . 0.0 112.567 174.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -66.34 -41.52 89.45 Favored 'General case' 0 CA--C 1.59 2.51 0 O-C-N 121.118 -0.989 . . . . 0.0 112.865 173.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -72.37 -60.08 2.41 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 121.376 3.843 . . . . 0.0 121.376 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.404 ' HB2' HG12 ' A' ' 129' ' ' VAL 0.488 20.6 tp -33.16 -51.14 0.32 Allowed 'General case' 0 CA--C 1.56 1.362 1 N-CA-C 122.353 4.205 . . . . 0.0 122.353 -177.836 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 152.64 -23.14 0.83 Allowed Glycine 0 CA--C 1.548 2.118 0 CA-C-N 112.162 -2.29 . . . . 0.0 111.98 -176.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -151.37 136.23 17.27 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 120.763 2.281 . . . . 0.0 109.909 179.766 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -93.5 -42.94 8.97 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 117.811 2.523 . . . . 0.0 117.811 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.3 tp 66.54 -118.17 0.27 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 117.195 -1.384 . . . . 0.0 108.152 -176.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.473 ' O ' HD13 ' A' ' 142' ' ' LEU . 1.7 t -156.71 158.73 37.45 Favored 'General case' 0 CA--C 1.566 1.58 0 CA-C-O 126.036 2.827 . . . . 0.0 111.769 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -39.94 -50.26 2.49 Favored 'General case' 0 CA--C 1.577 1.994 0 CA-C-N 109.851 -3.34 . . . . 0.0 116.888 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.23 -41.33 97.06 Favored 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 125.945 1.698 . . . . 0.0 112.44 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -60.5 -47.5 85.86 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 123.836 0.854 . . . . 0.0 110.488 174.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 138' ' ' THR . 2.6 mp -55.68 -46.54 77.56 Favored 'General case' 0 CA--C 1.563 1.449 0 O-C-N 120.726 -1.234 . . . . 0.0 113.074 174.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.25 1.0 OUTLIER -66.57 -30.41 70.7 Favored 'General case' 0 CA--C 1.576 1.955 0 CA-C-O 118.101 -0.952 . . . . 0.0 113.13 177.512 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.02 -46.0 89.66 Favored 'General case' 0 CA--C 1.581 2.138 0 CA-C-N 120.527 1.512 . . . . 0.0 110.089 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -64.13 -33.54 76.01 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.745 -1.222 . . . . 0.0 111.775 175.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.7 mm -59.49 -55.03 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 CA-C-N 121.643 2.02 . . . . 0.0 109.848 172.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.02 -39.27 65.98 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 117.41 -1.281 . . . . 0.0 113.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -51.23 37.44 Favored 'General case' 0 CA--C 1.592 2.563 0 CA-C-N 121.177 1.808 . . . . 0.0 111.223 172.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.89 74.47 Favored 'General case' 0 CA--C 1.557 1.242 0 N-CA-C 120.485 3.513 . . . . 0.0 120.485 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.23 49.33 0.06 Allowed 'General case' 0 CA--C 1.59 2.499 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -50.54 -41.02 53.43 Favored 'General case' 0 CA--C 1.572 1.814 0 O-C-N 119.451 -2.031 . . . . 0.0 115.437 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -65.23 -38.83 91.61 Favored 'General case' 0 CA--C 1.584 2.262 0 C-N-CA 124.322 1.049 . . . . 0.0 113.203 174.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 101.18 41.02 2.69 Favored Glycine 0 CA--C 1.548 2.155 0 N-CA-C 121.853 3.501 . . . . 0.0 121.853 176.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -119.26 6.17 11.21 Favored 'General case' 0 CA--C 1.586 2.347 0 CA-C-N 119.124 1.462 . . . . 0.0 113.935 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 79.08 22.13 66.35 Favored Glycine 0 CA--C 1.571 3.591 0 O-C-N 119.205 -2.184 . . . . 0.0 113.342 -172.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -160.02 151.19 19.39 Favored 'General case' 0 CA--C 1.574 1.888 0 C-N-CA 126.016 1.726 . . . . 0.0 109.073 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 13.0 t -99.73 130.45 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.578 0 O-C-N 120.12 -1.613 . . . . 0.0 110.559 -173.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 54.0 p -99.77 171.35 7.94 Favored 'General case' 0 CA--C 1.57 1.74 0 CA-C-O 122.813 1.292 . . . . 0.0 112.193 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.314 20.6 pt-20 -58.93 -37.74 77.38 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.426 -1.421 . . . . 0.0 114.657 -178.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.443 ' HA ' HD22 ' A' ' 163' ' ' LEU . 2.5 pt20 -60.41 -36.58 78.47 Favored 'General case' 0 CA--C 1.584 2.271 0 CA-C-N 122.966 2.621 . . . . 0.0 112.531 173.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -32.31 71.0 Favored 'General case' 0 N--CA 1.513 2.717 0 CA-C-N 122.116 2.235 . . . . 0.0 109.655 175.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -62.14 -37.5 85.41 Favored 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 124.912 1.285 . . . . 0.0 112.941 172.212 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -79.94 -52.04 8.35 Favored 'General case' 0 CA--C 1.579 2.09 0 C-N-CA 126.267 1.827 . . . . 0.0 112.345 177.165 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -19.94 0.12 Allowed 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 118.487 2.773 . . . . 0.0 118.487 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.573 1.844 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 176.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.505 2.296 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.38 -43.14 34.69 Favored Glycine 0 N--CA 1.499 2.841 0 N-CA-C 116.815 1.486 . . . . 0.0 116.815 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.87 -51.35 67.35 Favored 'General case' 0 CA--C 1.576 1.952 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.948 176.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.31 -38.94 69.33 Favored 'General case' 0 CA--C 1.59 2.499 0 C-N-CA 124.205 1.002 . . . . 0.0 111.664 175.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.84 -53.26 53.46 Favored 'General case' 0 CA--C 1.563 1.46 0 O-C-N 120.522 -1.361 . . . . 0.0 109.992 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.2 m . . . . . 0 N--CA 1.499 2.003 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 176.585 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.513 2.675 0 CA-C-O 117.527 -1.225 . . . . 0.0 114.172 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 64.51 -46.2 0.31 Allowed 'General case' 0 N--CA 1.533 3.677 0 CA-C-N 123.413 2.824 . . . . 0.0 113.341 -173.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -70.71 -20.2 62.68 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 125.887 1.675 . . . . 0.0 113.654 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.28 -36.95 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 CA-C-N 120.15 1.341 . . . . 0.0 111.699 172.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.471 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 3.2 mp -68.25 -45.77 72.28 Favored 'General case' 0 CA--C 1.562 1.422 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -41.82 82.69 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 117.692 -1.146 . . . . 0.0 110.918 175.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.3 -46.25 89.58 Favored 'General case' 0 CA--C 1.562 1.407 0 CA-C-N 121.091 1.769 . . . . 0.0 113.832 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.428 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 0.5 OUTLIER -65.03 -49.02 71.79 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 121.109 1.777 . . . . 0.0 110.398 175.73 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -62.06 -36.6 82.12 Favored 'General case' 0 CA--C 1.579 2.079 0 CA-C-O 117.799 -1.096 . . . . 0.0 112.697 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.6 mt -76.74 -19.96 57.06 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-N 121.109 1.777 . . . . 0.0 111.812 173.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -40.17 96.41 Favored 'General case' 0 CA--C 1.581 2.153 0 CA-C-N 121.745 2.066 . . . . 0.0 110.115 170.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -73.92 72.95 1.62 Allowed 'General case' 0 CA--C 1.586 2.351 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.3 -11.72 0.55 Allowed 'General case' 0 CA--C 1.616 3.517 0 O-C-N 118.609 -2.557 . . . . 0.0 113.916 172.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -98.2 -9.55 25.49 Favored 'General case' 0 CA--C 1.585 2.312 0 C-N-CA 125.647 1.579 . . . . 0.0 111.963 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 74.98 -11.92 1.01 Allowed 'General case' 0 N--CA 1.507 2.388 0 CA-C-N 122.538 2.426 . . . . 0.0 114.794 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.0 t -57.58 -24.05 54.07 Favored 'General case' 0 CA--C 1.568 1.653 0 C-N-CA 125.866 1.667 . . . . 0.0 114.897 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.2 53.49 13.9 Favored Glycine 0 C--N 1.354 1.559 0 N-CA-C 119.196 2.438 . . . . 0.0 119.196 176.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.8 109.94 2.35 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 123.678 0.791 . . . . 0.0 109.362 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.7 mp -100.0 122.13 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.7 t -104.51 176.85 5.02 Favored 'General case' 0 CA--C 1.583 2.222 0 CA-C-O 124.402 2.049 . . . . 0.0 106.113 173.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.25 -48.9 35.04 Favored 'General case' 0 N--CA 1.507 2.407 0 N-CA-C 117.637 2.458 . . . . 0.0 117.637 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -58.2 -40.0 80.46 Favored 'General case' 0 CA--C 1.582 2.186 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.7 -30.11 66.59 Favored 'General case' 0 N--CA 1.512 2.644 0 CA-C-N 120.549 1.522 . . . . 0.0 109.294 174.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.94 -45.96 74.92 Favored 'General case' 0 N--CA 1.508 2.452 0 CA-C-N 121.692 2.042 . . . . 0.0 109.468 170.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -56.02 -48.76 75.36 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 125.48 1.512 . . . . 0.0 111.286 173.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -54.05 -48.85 70.12 Favored 'General case' 0 N--CA 1.502 2.133 0 CA-C-N 118.698 0.681 . . . . 0.0 112.723 175.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.52 -44.62 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.032 178.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.12 -38.81 40.79 Favored 'General case' 0 CA--C 1.58 2.118 0 CA-C-N 120.647 1.567 . . . . 0.0 113.269 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -71.8 -43.96 64.77 Favored 'General case' 0 CA--C 1.583 2.217 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.909 172.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -54.36 -56.62 16.72 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 125.15 1.38 . . . . 0.0 113.503 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.317 9.0 mp -51.63 -37.1 48.65 Favored 'General case' 0 CA--C 1.556 1.173 0 N-CA-C 117.762 2.504 . . . . 0.0 117.762 174.194 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.26 -39.89 2.64 Favored Glycine 0 CA--C 1.547 2.071 0 CA-C-N 112.91 -1.95 . . . . 0.0 113.647 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -86.85 84.56 7.33 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -81.64 115.52 20.94 Favored 'General case' 0 CA--C 1.558 1.279 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -176.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 mp -70.69 145.02 50.82 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 14.1 t -75.89 163.59 27.06 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.784 -1.198 . . . . 0.0 112.777 -177.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -43.21 -46.66 6.16 Favored 'General case' 0 CA--C 1.572 1.821 0 N-CA-C 118.087 2.625 . . . . 0.0 118.087 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.94 -49.08 74.0 Favored 'General case' 0 CA--C 1.574 1.883 0 CA-C-N 113.116 -1.856 . . . . 0.0 111.496 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -54.7 -51.41 65.65 Favored 'General case' 0 N--CA 1.505 2.281 0 C-N-CA 123.826 0.85 . . . . 0.0 112.879 176.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.72 -45.84 88.68 Favored 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 124.79 1.236 . . . . 0.0 113.204 177.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.85 -34.67 77.16 Favored 'General case' 0 CA--C 1.572 1.82 0 CA-C-N 120.255 1.389 . . . . 0.0 112.523 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -60.44 -44.76 95.48 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 121.004 1.729 . . . . 0.0 109.753 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.83 -43.19 76.75 Favored 'General case' 0 CA--C 1.579 2.095 0 C-N-CA 124.947 1.299 . . . . 0.0 111.583 174.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.419 ' O ' ' HB3' ' A' ' 150' ' ' ASP . 9.7 mm -58.91 -60.01 2.97 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-O 115.877 -2.011 . . . . 0.0 109.884 175.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.4 -36.81 61.88 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 121.603 2.001 . . . . 0.0 114.158 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.52 -52.15 66.55 Favored 'General case' 0 N--CA 1.516 2.848 0 CA-C-O 121.92 0.866 . . . . 0.0 109.919 172.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.405 ' HB1' HG22 ' A' ' 157' ' ' VAL . . . -60.01 -48.52 81.37 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.565 173.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 146' ' ' ILE 0.261 0.0 OUTLIER -78.9 40.5 0.4 Allowed 'General case' 0 CA--C 1.585 2.304 0 C-N-CA 127.565 2.346 . . . . 0.0 114.505 179.439 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -59.7 -33.24 71.35 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 117.518 -3.239 . . . . 0.0 116.664 -178.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -69.28 -27.07 65.09 Favored 'General case' 0 CA--C 1.59 2.485 0 C-N-CA 123.693 0.797 . . . . 0.0 112.799 175.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 102.24 63.53 0.73 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 121.67 3.428 . . . . 0.0 121.67 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -132.97 -4.34 3.14 Favored 'General case' 0 CA--C 1.592 2.568 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 176.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 73.14 16.0 78.61 Favored Glycine 0 N--CA 1.51 3.622 0 CA-C-N 123.287 2.767 . . . . 0.0 117.781 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.11 163.45 33.8 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 126.164 1.786 . . . . 0.0 109.964 -177.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.405 HG22 ' HB1' ' A' ' 149' ' ' ALA . 2.3 t -99.88 110.11 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 178.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.33 171.86 7.51 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-O 123.235 1.493 . . . . 0.0 110.677 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -47.52 45.21 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 115.251 -2.309 . . . . 0.0 115.741 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.466 ' HA ' ' CD2' ' A' ' 163' ' ' LEU 0.263 3.2 pp0? -63.25 -35.36 80.08 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-N 123.745 2.975 . . . . 0.0 113.791 178.081 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.92 -30.3 63.78 Favored 'General case' 0 N--CA 1.517 2.906 0 CA-C-N 123.067 2.667 . . . . 0.0 111.781 174.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.471 ' CE1' ' HA ' ' A' ' 107' ' ' LEU . 7.6 t80 -60.92 -55.95 26.89 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.664 1.585 . . . . 0.0 112.435 175.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -80.01 -41.66 25.38 Favored 'General case' 0 CA--C 1.575 1.93 0 CA-C-O 117.472 -1.251 . . . . 0.0 114.045 178.191 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -66.22 -19.9 65.96 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 122.478 2.399 . . . . 0.0 117.36 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.269 4.6 tp . . . . . 0 N--CA 1.508 2.434 0 C-N-CA 130.516 3.526 . . . . 0.0 117.628 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 . . . . . 0 N--CA 1.498 1.974 0 N-CA-C 116.126 1.898 . . . . 0.0 116.126 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.36 -43.63 99.11 Favored Glycine 0 N--CA 1.503 3.125 0 CA-C-N 121.052 1.751 . . . . 0.0 114.887 175.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.22 -47.52 70.58 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.321 1.048 . . . . 0.0 111.604 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -41.2 78.78 Favored 'General case' 0 CA--C 1.585 2.301 0 C-N-CA 124.162 0.985 . . . . 0.0 110.629 175.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.439 ' HB2' ' HB2' ' A' ' 109' ' ' ALA . 2.1 tm? -57.83 -57.81 11.12 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 125.661 1.584 . . . . 0.0 112.052 175.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.1 t . . . . . 0 N--CA 1.507 2.407 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 178.495 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt . . . . . 0 N--CA 1.501 2.092 0 CA-C-O 116.63 -1.653 . . . . 0.0 115.03 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -46.26 -32.68 3.22 Favored 'General case' 0 CA--C 1.591 2.533 0 N-CA-C 117.471 2.397 . . . . 0.0 117.471 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -26.24 68.56 Favored 'General case' 0 CA--C 1.56 1.347 0 CA-C-O 115.974 -1.965 . . . . 0.0 114.291 175.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -41.04 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.731 0 CA-C-N 122.985 2.63 . . . . 0.0 111.087 173.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.518 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 3.6 mp -68.94 -44.04 73.86 Favored 'General case' 0 CA--C 1.561 1.404 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -64.64 -42.85 95.17 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-N 119.416 1.007 . . . . 0.0 111.356 174.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.439 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . . . -57.9 -51.46 69.51 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 177.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.489 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.3 t80 -67.13 -43.22 82.91 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-O 118.63 -0.7 . . . . 0.0 111.76 177.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -69.03 -31.12 69.68 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 117.333 -1.318 . . . . 0.0 113.384 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.8 -28.53 60.76 Favored 'General case' 0 CA--C 1.574 1.883 0 CA-C-N 122.437 2.381 . . . . 0.0 111.164 171.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.76 -37.55 73.86 Favored 'General case' 0 CA--C 1.56 1.35 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 174.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -84.17 51.18 2.01 Favored 'General case' 0 CA--C 1.6 2.897 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -43.69 -29.24 0.49 Allowed 'General case' 0 N--CA 1.512 2.642 0 N-CA-C 118.411 2.745 . . . . 0.0 118.411 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -86.73 -56.66 3.3 Favored 'General case' 0 CA--C 1.556 1.185 0 CA-C-O 116.486 -1.721 . . . . 0.0 112.428 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 165.56 -22.54 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.542 0 CA-C-N 121.162 1.801 . . . . 0.0 115.117 -174.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.7 t -84.3 69.81 10.52 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.148 1.779 . . . . 0.0 112.364 -177.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.75 52.66 0.15 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 119.845 2.698 . . . . 0.0 119.845 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -145.49 122.43 11.33 Favored 'General case' 0 CA--C 1.583 2.238 1 N-CA-C 99.175 -4.38 . . . . 0.0 99.175 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.4 mp -99.72 120.34 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.382 0 CA-C-N 123.836 3.016 . . . . 0.0 109.065 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.0 t -100.16 169.88 8.85 Favored 'General case' 0 CA--C 1.589 2.467 0 CA-C-N 111.591 -2.55 . . . . 0.0 105.651 173.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -52.08 -37.91 55.5 Favored 'General case' 0 N--CA 1.511 2.581 0 N-CA-C 117.05 2.241 . . . . 0.0 117.05 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -60.95 -39.4 89.34 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.918 -1.114 . . . . 0.0 113.202 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -37.07 83.46 Favored 'General case' 0 CA--C 1.585 2.309 0 O-C-N 121.596 -0.69 . . . . 0.0 109.729 175.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 93.6 mt -53.72 -44.5 69.93 Favored 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 119.884 1.22 . . . . 0.0 110.603 172.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -60.93 -44.75 96.77 Favored 'General case' 0 CA--C 1.572 1.808 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.915 174.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -50.9 -53.92 28.52 Favored 'General case' 0 N--CA 1.508 2.428 0 CA-C-N 119.682 1.128 . . . . 0.0 112.451 175.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 3.5 t -72.59 -32.42 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.55 73.43 Favored 'General case' 0 CA--C 1.57 1.744 0 C-N-CA 124.013 0.925 . . . . 0.0 110.939 175.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -68.37 -33.93 75.14 Favored 'General case' 0 CA--C 1.575 1.941 0 CA-C-N 119.844 1.202 . . . . 0.0 113.53 174.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.43 -46.47 80.24 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-N 120.395 1.452 . . . . 0.0 114.891 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.372 5.2 mp -71.05 -54.39 11.33 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.172 2.189 . . . . 0.0 114.104 177.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.65 -47.85 1.21 Allowed Glycine 0 N--CA 1.485 1.916 0 CA-C-O 118.913 -0.937 . . . . 0.0 112.209 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.56 83.82 5.42 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 178.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . 0.282 7.8 p30 -116.35 -134.61 0.34 Allowed 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.84 -125.41 0.16 Allowed 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 -177.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 7.0 t -154.14 163.34 40.27 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.385 -1.447 . . . . 0.0 108.585 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -39.95 -53.69 2.3 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 116.698 2.111 . . . . 0.0 116.698 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.49 -45.06 92.45 Favored 'General case' 0 CA--C 1.575 1.939 0 C-N-CA 125.45 1.5 . . . . 0.0 112.717 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -63.96 -46.73 83.33 Favored 'General case' 0 CA--C 1.583 2.241 0 C-N-CA 124.429 1.092 . . . . 0.0 111.046 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.9 mt -56.57 -37.41 70.55 Favored 'General case' 0 CA--C 1.579 2.072 0 CA-C-N 121.248 1.84 . . . . 0.0 110.891 172.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -70.12 -36.23 74.67 Favored 'General case' 0 CA--C 1.569 1.695 0 CA-C-O 117.649 -1.167 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.06 -38.85 90.33 Favored 'General case' 0 CA--C 1.586 2.356 0 CA-C-N 120.674 1.579 . . . . 0.0 109.941 173.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.9 mtt -61.07 -39.67 90.76 Favored 'General case' 0 CA--C 1.584 2.264 0 O-C-N 121.323 -0.861 . . . . 0.0 111.227 173.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 5.9 mm -62.16 -56.95 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.621 -1.299 . . . . 0.0 110.302 173.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.75 -39.62 62.34 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -71.58 -39.98 70.23 Favored 'General case' 0 CA--C 1.592 2.587 0 CA-C-N 119.557 1.071 . . . . 0.0 113.397 173.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.483 ' HB1' HG22 ' A' ' 157' ' ' VAL . . . -79.12 -29.99 43.5 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 120.45 3.5 . . . . 0.0 120.45 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.23 61.86 0.03 OUTLIER 'General case' 0 CA--C 1.588 2.422 0 N-CA-C 118.965 2.95 . . . . 0.0 118.965 -176.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -52.75 -38.11 60.42 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 118.736 -2.477 . . . . 0.0 114.33 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -32.31 73.15 Favored 'General case' 0 CA--C 1.579 2.093 0 CA-C-O 118.083 -0.96 . . . . 0.0 113.208 176.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 93.9 112.78 2.33 Favored Glycine 0 CA--C 1.553 2.421 0 N-CA-C 117.515 1.766 . . . . 0.0 117.515 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . 0.265 15.3 t70 123.07 -57.13 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.38 0 C-N-CA 127.573 2.349 . . . . 0.0 108.567 178.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 175.34 48.89 0.06 OUTLIER Glycine 0 N--CA 1.482 1.705 0 N-CA-C 120.139 2.816 . . . . 0.0 120.139 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.0 145.46 15.3 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 121.31 2.555 . . . . 0.0 114.107 178.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.483 HG22 ' HB1' ' A' ' 149' ' ' ALA . 20.2 t -99.87 123.55 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.6 m -100.83 176.41 5.3 Favored 'General case' 0 CA--C 1.573 1.836 0 CA-C-O 124.718 2.199 . . . . 0.0 113.589 -177.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.275 81.3 tt0 -52.81 -50.08 64.39 Favored 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 112.541 -2.118 . . . . 0.0 115.322 -178.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.443 ' HA ' HD22 ' A' ' 163' ' ' LEU . 3.4 mp0 -65.5 -31.46 72.55 Favored 'General case' 0 CA--C 1.585 2.298 0 CA-C-N 122.521 2.418 . . . . 0.0 110.965 175.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -67.33 -28.94 68.39 Favored 'General case' 0 N--CA 1.519 2.98 0 CA-C-N 122.893 2.588 . . . . 0.0 112.868 176.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.518 ' CE1' ' HA ' ' A' ' 107' ' ' LEU 0.276 5.3 t80 -68.96 -40.81 78.69 Favored 'General case' 0 CA--C 1.583 2.228 0 C-N-CA 127.652 2.381 . . . . 0.0 111.768 171.855 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -77.38 -32.75 55.14 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 126.968 2.107 . . . . 0.0 113.632 177.284 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -46.91 -19.95 0.12 Allowed 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 116.605 2.076 . . . . 0.0 116.605 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.1 tp . . . . . 0 CA--C 1.592 2.558 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 175.674 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 CA--C 1.582 2.178 0 CA-C-O 116.773 -1.584 . . . . 0.0 114.433 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.05 -42.82 94.39 Favored Glycine 0 N--CA 1.498 2.795 0 CA-C-N 123.447 2.84 . . . . 0.0 114.183 176.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -64.33 -41.96 96.52 Favored 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 124.247 1.019 . . . . 0.0 110.909 176.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -58.23 -49.62 76.45 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 120.459 1.481 . . . . 0.0 108.296 173.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.5 tt -50.4 -56.39 11.63 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 124.467 1.107 . . . . 0.0 113.829 176.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.4 m . . . . . 0 N--CA 1.502 2.152 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 176.031 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER . . . . . 0 N--CA 1.513 2.678 0 CA-C-O 118.136 -0.935 . . . . 0.0 108.772 . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 72.87 -55.62 0.68 Allowed 'General case' 0 N--CA 1.531 3.589 0 CA-C-N 123.979 3.082 . . . . 0.0 110.503 -174.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.94 -36.5 12.57 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 128.021 2.528 . . . . 0.0 114.583 176.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 58.2 mt -63.9 -53.6 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 CA-C-N 121.926 2.148 . . . . 0.0 109.089 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . 0.263 0.2 OUTLIER -69.64 -40.53 76.46 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 179.653 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -69.03 -45.87 69.39 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-O 116.973 -1.489 . . . . 0.0 112.619 175.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.24 -46.0 68.4 Favored 'General case' 0 C--N 1.365 1.256 0 CA-C-N 121.867 2.121 . . . . 0.0 111.519 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.463 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 13.7 t80 -64.02 -43.9 94.18 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 122.543 2.429 . . . . 0.0 112.966 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -66.52 -36.68 83.29 Favored 'General case' 0 CA--C 1.586 2.361 0 CA-C-N 120.743 1.611 . . . . 0.0 111.414 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.9 mt -78.8 -19.92 50.99 Favored 'General case' 0 CA--C 1.586 2.343 0 CA-C-N 122.536 2.425 . . . . 0.0 113.268 174.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -40.29 88.11 Favored 'General case' 0 CA--C 1.568 1.665 0 C-N-CA 126.026 1.73 . . . . 0.0 110.128 171.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -79.21 80.39 5.57 Favored 'General case' 0 CA--C 1.594 2.65 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -19.51 0.04 OUTLIER 'General case' 0 N--CA 1.513 2.68 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 175.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -92.77 -1.79 56.51 Favored 'General case' 0 CA--C 1.591 2.523 0 CA-C-N 120.8 1.637 . . . . 0.0 112.441 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 70.5 -5.1 1.46 Allowed 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.9 p -65.66 -51.29 60.68 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 125.825 1.65 . . . . 0.0 110.366 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.15 73.07 1.01 Allowed Glycine 0 CA--C 1.536 1.388 0 N-CA-C 115.231 0.853 . . . . 0.0 115.231 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -159.36 113.48 2.34 Favored 'General case' 0 CA--C 1.565 1.548 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 177.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.4 mp -99.79 124.89 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.401 0 CA-C-O 124.054 1.883 . . . . 0.0 111.154 -176.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 82.3 p -106.11 169.17 8.66 Favored 'General case' 0 CA--C 1.578 2.025 0 CA-C-N 110.314 -3.13 . . . . 0.0 106.473 174.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -52.99 -33.49 51.7 Favored 'General case' 0 CA--C 1.583 2.238 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -44.47 93.39 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 177.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -42.87 97.75 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.67 175.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 78.8 mt -53.87 -46.29 71.27 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 119.529 1.059 . . . . 0.0 112.241 174.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -58.5 -50.79 72.48 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 117.44 -1.267 . . . . 0.0 113.043 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -60.02 -45.15 93.72 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-O 117.191 -1.385 . . . . 0.0 112.206 177.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -54.94 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-N 120.735 1.607 . . . . 0.0 110.312 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.8 -42.18 5.43 Favored 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 115.721 1.748 . . . . 0.0 115.721 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -22.21 42.5 Favored 'General case' 0 CA--C 1.594 2.643 0 CA-C-N 120.036 1.289 . . . . 0.0 113.05 172.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -75.46 -42.9 52.05 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 119.432 3.123 . . . . 0.0 119.432 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.28 -47.19 84.43 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 161.68 -42.5 0.39 Allowed Glycine 0 N--CA 1.487 2.053 0 N-CA-C 117.364 1.706 . . . . 0.0 117.364 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -123.13 122.21 37.88 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-N 119.383 1.591 . . . . 0.0 109.32 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -83.54 150.82 25.72 Favored 'General case' 0 CA--C 1.573 1.852 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -119.09 -130.79 0.3 Allowed 'General case' 0 CA--C 1.567 1.627 0 C-N-CA 125.692 1.597 . . . . 0.0 108.43 -178.7 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.479 ' O ' HD13 ' A' ' 142' ' ' LEU . 2.0 t -152.98 160.61 43.04 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 126.221 2.915 . . . . 0.0 111.581 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -43.21 -52.06 5.8 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-N 109.468 -3.514 . . . . 0.0 115.932 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -60.23 -42.32 94.97 Favored 'General case' 0 CA--C 1.569 1.673 0 C-N-CA 125.463 1.505 . . . . 0.0 113.643 178.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -59.27 -51.34 70.4 Favored 'General case' 0 CA--C 1.584 2.283 0 C-N-CA 123.95 0.9 . . . . 0.0 109.93 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 138' ' ' THR . 2.8 mp -57.56 -43.07 84.22 Favored 'General case' 0 CA--C 1.56 1.338 0 O-C-N 120.137 -1.602 . . . . 0.0 114.312 174.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.422 HE22 HG21 ' A' ' 146' ' ' ILE 0.274 1.0 OUTLIER -67.45 -32.51 73.41 Favored 'General case' 0 CA--C 1.567 1.613 0 CA-C-N 119.997 1.271 . . . . 0.0 112.185 178.855 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.11 -42.13 98.92 Favored 'General case' 0 CA--C 1.587 2.371 0 CA-C-N 120.715 1.598 . . . . 0.0 109.903 173.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 38.6 mmt -59.66 -43.46 93.93 Favored 'General case' 0 CA--C 1.58 2.097 0 C-N-CA 123.592 0.757 . . . . 0.0 112.11 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.422 HG21 HE22 ' A' ' 143' ' ' GLN . 14.8 mm -59.81 -54.88 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 124.948 1.299 . . . . 0.0 111.319 175.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.76 -39.55 71.34 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 118.293 -0.86 . . . . 0.0 113.306 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -69.25 -38.27 78.36 Favored 'General case' 0 CA--C 1.597 2.785 0 CA-C-N 120.337 1.426 . . . . 0.0 113.561 173.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.452 ' HB1' HG22 ' A' ' 157' ' ' VAL . . . -74.7 -40.4 61.37 Favored 'General case' 0 CA--C 1.574 1.888 0 N-CA-C 118.906 2.928 . . . . 0.0 118.906 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.293 26.1 t70 -67.8 49.42 0.05 Allowed 'General case' 0 CA--C 1.594 2.651 0 C-N-CA 126.903 2.081 . . . . 0.0 115.743 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.293 3.4 tmm_? -39.78 -50.11 2.36 Favored 'General case' 0 N--CA 1.51 2.546 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -173.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -142.97 55.08 1.38 Allowed 'General case' 0 CA--C 1.578 2.051 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 173.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -114.25 -141.58 7.75 Favored Glycine 0 CA--C 1.563 3.054 0 CA-C-N 122.434 2.379 . . . . 0.0 114.214 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -129.44 42.53 3.28 Favored 'General case' 0 CA--C 1.599 2.846 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 76.95 31.0 54.95 Favored Glycine 1 CA--C 1.58 4.133 0 CA-C-N 124.11 3.141 . . . . 0.0 110.107 -169.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -160.05 154.66 24.06 Favored 'General case' 0 CA--C 1.579 2.085 0 C-N-CA 126.21 1.804 . . . . 0.0 111.488 -175.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.452 HG22 ' HB1' ' A' ' 149' ' ' ALA . 9.7 t -99.84 121.63 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.378 0 O-C-N 119.921 -1.737 . . . . 0.0 108.283 -176.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.4 p -99.85 172.48 7.22 Favored 'General case' 0 CA--C 1.575 1.907 0 CA-C-O 123.602 1.668 . . . . 0.0 111.984 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.9 -50.03 8.17 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 116.264 1.95 . . . . 0.0 116.264 178.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . 0.26 3.1 pt20 -61.17 -40.12 92.7 Favored 'General case' 0 CA--C 1.581 2.169 0 CA-C-N 122.06 2.209 . . . . 0.0 113.431 178.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.59 -30.56 67.27 Favored 'General case' 0 CA--C 1.586 2.355 0 CA-C-N 120.487 1.494 . . . . 0.0 111.71 173.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.463 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 1.6 t80 -64.84 -45.77 84.71 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 175.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.98 -47.62 14.67 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 117.318 -1.325 . . . . 0.0 112.123 -176.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -79.97 -60.21 2.43 Favored 'General case' 0 CA--C 1.566 1.573 0 CA-C-N 121.071 1.76 . . . . 0.0 113.152 177.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.3 tp . . . . . 0 CA--C 1.587 2.379 0 C-N-CA 130.992 3.717 . . . . 0.0 108.496 -177.126 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 117.86 -1.067 . . . . 0.0 113.528 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.1 -49.44 71.61 Favored Glycine 0 N--CA 1.489 2.189 0 CA-C-N 120.812 1.642 . . . . 0.0 114.091 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.44 -51.69 66.5 Favored 'General case' 0 CA--C 1.572 1.796 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.756 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -50.74 -45.76 58.85 Favored 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.931 1.242 . . . . 0.0 112.224 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.12 -56.58 20.34 Favored 'General case' 0 CA--C 1.565 1.539 0 C-N-CA 124.726 1.21 . . . . 0.0 110.454 174.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 2.9 m . . . . . 0 N--CA 1.5 2.063 0 C-N-CA 125.065 1.346 . . . . 0.0 113.755 176.47 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.256 0.0 OUTLIER . . . . . 0 N--CA 1.512 2.643 0 CA-C-O 118.09 -0.957 . . . . 0.0 112.63 . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 69.31 -48.97 0.6 Allowed 'General case' 0 N--CA 1.533 3.717 0 CA-C-N 123.138 2.699 . . . . 0.0 113.586 -173.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -71.86 -19.97 61.88 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 127.505 2.322 . . . . 0.0 113.524 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . 0.464 HG21 HG21 ' A' ' 165' ' ' ILE . 0.3 OUTLIER -46.62 -42.27 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.936 0 CA-C-N 123.847 3.022 . . . . 0.0 112.463 175.728 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.505 ' HA ' ' HE1' ' A' ' 162' ' ' PHE . 1.3 mp -70.47 -43.5 69.68 Favored 'General case' 0 CA--C 1.564 1.512 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 177.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -68.95 -38.75 79.62 Favored 'General case' 0 CA--C 1.564 1.508 0 CA-C-O 117.817 -1.087 . . . . 0.0 112.273 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.02 -48.24 71.81 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-N 120.964 1.711 . . . . 0.0 112.415 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.509 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.7 t80 -66.65 -46.32 76.12 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 121.1 1.773 . . . . 0.0 111.357 176.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -32.23 73.79 Favored 'General case' 0 CA--C 1.578 2.044 0 CA-C-N 120.272 1.396 . . . . 0.0 112.305 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 46.9 mt -76.57 -19.91 57.38 Favored 'General case' 0 CA--C 1.59 2.512 0 CA-C-N 122.004 2.184 . . . . 0.0 111.387 172.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -46.65 74.77 Favored 'General case' 0 CA--C 1.568 1.66 0 CA-C-N 121.558 1.981 . . . . 0.0 112.01 172.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -80.39 71.98 7.23 Favored 'General case' 0 CA--C 1.585 2.303 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -48.67 -16.85 0.13 Allowed 'General case' 0 CA--C 1.598 2.818 0 N-CA-C 117.021 2.23 . . . . 0.0 117.021 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -95.22 3.7 54.33 Favored 'General case' 0 CA--C 1.59 2.493 0 CA-C-N 120.554 1.525 . . . . 0.0 112.072 176.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 69.36 -3.72 1.51 Allowed 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 118.905 2.928 . . . . 0.0 118.905 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.5 t -75.97 -26.86 57.19 Favored 'General case' 0 CA--C 1.567 1.604 0 O-C-N 120.452 -1.405 . . . . 0.0 113.934 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 75.15 67.33 1.75 Allowed Glycine 0 C--N 1.355 1.637 0 N-CA-C 118.663 2.225 . . . . 0.0 118.663 177.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.0 109.89 4.31 Favored 'General case' 0 CA--C 1.579 2.058 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -104.42 123.26 58.2 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.408 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 177.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.58 165.72 10.86 Favored 'General case' 0 CA--C 1.581 2.135 0 CA-C-N 112.366 -2.197 . . . . 0.0 107.222 175.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -44.89 -45.25 10.22 Favored 'General case' 0 N--CA 1.511 2.598 0 N-CA-C 119.091 2.997 . . . . 0.0 119.091 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -62.62 -44.8 95.39 Favored 'General case' 0 CA--C 1.579 2.085 0 CA-C-N 114.086 -1.415 . . . . 0.0 112.237 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.262 0.7 OUTLIER -67.21 -31.26 71.53 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 119.909 1.231 . . . . 0.0 108.755 174.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.1 mt -54.87 -44.67 74.24 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-N 122.363 2.347 . . . . 0.0 110.68 171.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -56.59 -50.55 71.62 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 124.514 1.126 . . . . 0.0 112.41 175.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -47.65 85.08 Favored 'General case' 0 N--CA 1.504 2.265 0 CA-C-O 117.304 -1.332 . . . . 0.0 111.975 177.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.2 t -66.96 -33.49 63.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 CA-C-N 119.988 1.267 . . . . 0.0 112.133 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.98 -50.53 72.4 Favored 'General case' 0 CA--C 1.569 1.682 0 CA-C-N 119.656 1.116 . . . . 0.0 111.426 175.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -77.34 -33.1 55.49 Favored 'General case' 0 CA--C 1.587 2.391 0 CA-C-N 120.197 1.362 . . . . 0.0 114.61 174.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -72.22 -22.3 61.28 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 117.346 2.35 . . . . 0.0 117.346 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.71 -72.38 0.23 Allowed 'General case' 0 CA--C 1.564 1.515 0 C-N-CA 124.775 1.23 . . . . 0.0 111.641 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -159.78 -48.33 0.01 OUTLIER Glycine 0 N--CA 1.487 2.073 0 CA-C-O 118.622 -1.099 . . . . 0.0 115.363 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.98 139.69 32.5 Favored 'General case' 0 CA--C 1.574 1.886 0 CA-C-N 119.375 1.587 . . . . 0.0 106.734 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -67.13 167.05 12.74 Favored 'General case' 0 CA--C 1.579 2.077 0 N-CA-C 119.417 3.117 . . . . 0.0 119.417 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 5.7 tp -136.96 131.93 33.68 Favored 'General case' 0 CA--C 1.575 1.934 0 N-CA-C 104.422 -2.436 . . . . 0.0 104.422 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.3 t -78.98 166.45 22.35 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 123.533 1.635 . . . . 0.0 114.359 -175.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -40.15 -52.15 2.59 Favored 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.65 -45.84 90.96 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 125.235 1.414 . . . . 0.0 112.212 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -56.24 -55.55 31.92 Favored 'General case' 0 N--CA 1.507 2.404 0 CA-C-O 122.341 1.067 . . . . 0.0 112.024 176.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 16.2 mt -58.17 -35.97 72.36 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 124.833 1.253 . . . . 0.0 112.984 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.261 22.4 tp60 -72.43 -36.69 68.65 Favored 'General case' 0 CA--C 1.566 1.57 0 CA-C-N 120.441 1.473 . . . . 0.0 111.131 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.52 -41.34 94.19 Favored 'General case' 0 CA--C 1.587 2.396 0 CA-C-N 120.741 1.609 . . . . 0.0 110.116 172.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.3 mmt -60.28 -42.32 95.21 Favored 'General case' 0 CA--C 1.579 2.068 0 C-N-CA 123.34 0.656 . . . . 0.0 111.598 174.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.402 ' O ' ' HB3' ' A' ' 150' ' ' ASP . 3.5 mm -58.39 -60.11 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-O 116.604 -1.665 . . . . 0.0 110.447 175.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -55.88 -41.72 74.88 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 116.933 -1.508 . . . . 0.0 113.186 -177.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -39.27 86.56 Favored 'General case' 0 N--CA 1.515 2.792 0 CA-C-N 122.736 2.516 . . . . 0.0 112.97 174.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.485 ' HB1' HG22 ' A' ' 157' ' ' VAL 0.261 . . -80.04 -26.48 39.72 Favored 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 120.268 3.433 . . . . 0.0 120.268 177.826 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 146' ' ' ILE . 0.0 OUTLIER -72.82 12.66 0.48 Allowed 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 121.644 3.942 . . . . 0.0 121.644 -175.833 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.278 0.3 OUTLIER -45.53 -44.22 12.51 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 121.308 3.818 . . . . 0.0 121.308 -172.702 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -116.12 50.83 1.0 Allowed 'General case' 0 CA--C 1.575 1.921 0 CA-C-N 119.494 1.043 . . . . 0.0 109.448 175.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -148.73 -144.39 3.95 Favored Glycine 0 CA--C 1.563 3.033 0 O-C-N 119.803 -1.811 . . . . 0.0 113.845 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -129.5 47.49 2.49 Favored 'General case' 0 CA--C 1.599 2.841 0 N-CA-C 104.16 -2.533 . . . . 0.0 104.16 -178.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 82.59 31.69 29.49 Favored Glycine 0 CA--C 1.571 3.551 0 CA-C-N 124.54 3.336 . . . . 0.0 113.071 -173.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -152.05 154.77 36.61 Favored 'General case' 0 CA--C 1.568 1.641 0 C-N-CA 126.455 1.902 . . . . 0.0 108.84 -178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.485 HG22 ' HB1' ' A' ' 149' ' ' ALA . 2.3 t -99.8 125.39 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.662 -1.273 . . . . 0.0 110.112 -175.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.409 ' H ' ' CG ' ' A' ' 161' ' ' GLU . 0.7 OUTLIER -100.02 170.4 8.52 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 125.289 1.436 . . . . 0.0 111.567 -179.649 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.287 0.0 OUTLIER -54.07 -46.71 72.06 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -178.608 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.441 ' HA ' HD22 ' A' ' 163' ' ' LEU . 3.1 pt20 -67.27 -33.25 74.92 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 119.516 -1.99 . . . . 0.0 112.288 176.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.409 ' CG ' ' H ' ' A' ' 158' ' ' SER 0.262 2.3 pt-20 -73.05 -23.25 60.55 Favored 'General case' 0 CA--C 1.604 3.041 0 CA-C-N 121.619 2.009 . . . . 0.0 110.411 172.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.509 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.2 OUTLIER -65.45 -41.86 92.98 Favored 'General case' 0 N--CA 1.508 2.458 0 C-N-CA 126.75 2.02 . . . . 0.0 111.427 170.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -77.02 -28.72 55.04 Favored 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 126.803 2.041 . . . . 0.0 112.616 176.154 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -21.16 1.33 Allowed 'General case' 0 N--CA 1.504 2.228 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.464 HG21 HG21 ' A' ' 106' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.575 1.926 0 C-N-CA 125.256 1.422 . . . . 0.0 114.126 175.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 116.396 -1.764 . . . . 0.0 115.159 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -53.95 -33.12 49.96 Favored Glycine 0 N--CA 1.498 2.772 0 CA-C-N 122.616 2.462 . . . . 0.0 116.603 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -70.0 -54.32 13.76 Favored 'General case' 0 CA--C 1.578 2.033 0 C-N-CA 123.859 0.863 . . . . 0.0 110.437 175.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -56.65 -43.73 80.62 Favored 'General case' 0 N--CA 1.512 2.64 0 CA-C-N 121.051 1.75 . . . . 0.0 111.179 174.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.63 -55.18 38.34 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 125.282 1.433 . . . . 0.0 113.043 175.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.5 t . . . . . 0 N--CA 1.506 2.334 0 CA-C-N 118.724 0.693 . . . . 0.0 112.273 178.073 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER . . . . . 0 N--CA 1.515 2.809 0 N-CA-C 115.256 1.576 . . . . 0.0 115.256 . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 67.46 -47.87 0.5 Allowed 'General case' 0 N--CA 1.535 3.777 0 CA-C-N 123.201 2.728 . . . . 0.0 110.676 -171.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.38 -33.78 14.55 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 128.452 2.701 . . . . 0.0 115.053 175.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.42 -48.0 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 CA-C-N 123.114 2.688 . . . . 0.0 108.53 175.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 mp -70.89 -43.46 68.3 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -70.12 -40.5 74.83 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 116.782 -1.58 . . . . 0.0 113.537 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.1 -39.37 72.12 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 122.244 2.293 . . . . 0.0 112.342 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.458 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 5.8 t80 -69.85 -47.07 64.08 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 121.455 1.934 . . . . 0.0 111.963 177.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -65.24 -36.09 83.05 Favored 'General case' 0 CA--C 1.587 2.393 0 CA-C-N 120.587 1.54 . . . . 0.0 110.321 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.5 mt -75.28 -20.01 59.38 Favored 'General case' 0 CA--C 1.584 2.264 0 CA-C-N 122.244 2.293 . . . . 0.0 112.916 174.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.522 ' CE1' HG11 ' A' ' 129' ' ' VAL . 6.4 m-85 -64.46 -45.98 85.07 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 122.157 2.253 . . . . 0.0 110.102 171.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -78.43 86.01 4.5 Favored 'General case' 0 CA--C 1.592 2.569 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -47.57 -14.29 0.04 OUTLIER 'General case' 0 CA--C 1.599 2.844 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -105.1 -1.51 25.48 Favored 'General case' 0 CA--C 1.595 2.683 0 C-N-CA 125.36 1.464 . . . . 0.0 112.106 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 73.03 -2.07 2.84 Favored 'General case' 0 CA--C 1.584 2.258 0 N-CA-C 117.649 2.463 . . . . 0.0 117.649 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.4 p -57.39 -41.75 80.85 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 119.281 -2.137 . . . . 0.0 112.328 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 92.45 72.75 1.22 Allowed Glycine 0 CA--C 1.534 1.247 0 N-CA-C 116.8 1.48 . . . . 0.0 116.8 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.06 110.06 4.12 Favored 'General case' 0 CA--C 1.58 2.112 0 CA-C-O 118.57 -0.728 . . . . 0.0 111.742 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . 0.418 HD13 ' CE2' ' A' ' 110' ' ' PHE . 0.2 OUTLIER -111.23 128.06 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.355 0 CA-C-N 121.474 1.943 . . . . 0.0 109.015 178.136 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.6 p -108.95 172.24 6.96 Favored 'General case' 0 CA--C 1.584 2.255 0 CA-C-N 112.272 -2.24 . . . . 0.0 107.159 172.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . 0.454 ' HE1' HD22 ' A' ' 142' ' ' LEU . 1.3 t80 -49.38 -43.51 44.27 Favored 'General case' 0 N--CA 1.516 2.874 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -50.08 56.48 Favored 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . 0.478 ' O ' HG12 ' A' ' 129' ' ' VAL . 0.9 OUTLIER -68.86 -34.11 74.91 Favored 'General case' 0 N--CA 1.503 2.207 0 CA-C-O 116.959 -1.495 . . . . 0.0 109.913 175.475 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 69.9 mt -58.02 -38.53 76.35 Favored 'General case' 0 N--CA 1.502 2.16 0 CA-C-N 122.629 2.468 . . . . 0.0 112.86 175.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.333 11.9 ptpt -74.42 -33.97 63.13 Favored 'General case' 0 CA--C 1.575 1.937 0 CA-C-O 114.652 -2.594 . . . . 0.0 109.628 175.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . 0.28 0.6 OUTLIER -60.72 -49.2 78.47 Favored 'General case' 0 N--CA 1.512 2.648 0 CA-C-N 124.785 3.448 . . . . 0.0 110.067 173.191 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.522 HG11 ' CE1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -56.21 -45.05 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 120.411 1.46 . . . . 0.0 113.111 178.242 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.94 -49.52 71.16 Favored 'General case' 0 CA--C 1.573 1.85 0 CA-C-O 118.387 -0.816 . . . . 0.0 112.648 176.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -20.98 44.07 Favored 'General case' 0 CA--C 1.584 2.272 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 174.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -79.96 -32.1 39.9 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.8 mt -75.25 -74.36 0.21 Allowed 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 124.868 1.267 . . . . 0.0 112.283 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -163.37 -44.98 0.02 OUTLIER Glycine 0 N--CA 1.488 2.13 0 CA-C-O 117.54 -1.7 . . . . 0.0 117.175 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -129.29 109.33 11.02 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 120.563 2.181 . . . . 0.0 112.312 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -78.76 122.62 26.25 Favored 'General case' 0 CA--C 1.566 1.559 0 O-C-N 120.943 -1.098 . . . . 0.0 110.747 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 49.5 mt -80.84 -111.61 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.561 ' O ' HD13 ' A' ' 142' ' ' LEU . 2.1 t -150.78 156.4 41.2 Favored 'General case' 0 CA--C 1.561 1.381 0 CA-C-O 126.986 3.279 . . . . 0.0 110.623 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -41.56 -48.6 4.0 Favored 'General case' 0 CA--C 1.572 1.814 0 CA-C-N 109.082 -3.69 . . . . 0.0 116.964 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -42.45 96.78 Favored 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 125.121 1.368 . . . . 0.0 113.224 178.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -57.34 -51.76 68.09 Favored 'General case' 0 CA--C 1.578 2.058 0 C-N-CA 124.819 1.248 . . . . 0.0 110.148 174.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 138' ' ' THR . 1.2 mp -60.47 -49.63 76.78 Favored 'General case' 0 CA--C 1.564 1.498 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 176.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -66.23 -33.61 76.14 Favored 'General case' 0 CA--C 1.577 2.016 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.899 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -64.75 -39.84 94.3 Favored 'General case' 0 CA--C 1.583 2.227 0 CA-C-N 120.545 1.521 . . . . 0.0 109.34 173.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 21.8 mmt -58.48 -39.54 80.26 Favored 'General case' 0 CA--C 1.578 2.057 0 CA-C-N 119.555 1.071 . . . . 0.0 110.699 173.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 16.7 mm -58.04 -53.5 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 124.631 1.172 . . . . 0.0 110.407 173.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -55.15 -37.66 67.25 Favored 'General case' 0 N--CA 1.503 2.219 0 CA-C-N 119.598 1.09 . . . . 0.0 113.226 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -65.02 -48.14 74.94 Favored 'General case' 0 N--CA 1.512 2.647 0 CA-C-O 122.866 1.317 . . . . 0.0 112.432 172.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.468 ' HB1' ' CG2' ' A' ' 157' ' ' VAL . . . -69.54 -32.1 70.71 Favored 'General case' 0 CA--C 1.574 1.895 0 N-CA-C 120.293 3.442 . . . . 0.0 120.293 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -78.56 62.8 3.22 Favored 'General case' 0 CA--C 1.594 2.668 0 C-N-CA 125.791 1.636 . . . . 0.0 112.022 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.55 -44.19 69.04 Favored 'General case' 0 CA--C 1.561 1.39 0 O-C-N 118.245 -2.784 . . . . 0.0 115.832 -178.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -66.49 -30.22 70.51 Favored 'General case' 0 CA--C 1.585 2.317 0 CA-C-N 119.923 1.238 . . . . 0.0 112.785 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 90.14 22.22 36.09 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 120.693 3.037 . . . . 0.0 120.693 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -90.33 -30.95 17.13 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 119.843 1.821 . . . . 0.0 112.717 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 148.18 -22.27 1.4 Allowed Glycine 0 CA--C 1.55 2.251 0 N-CA-C 118.288 2.075 . . . . 0.0 118.288 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.82 177.54 7.17 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-O 123.221 1.486 . . . . 0.0 110.962 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.468 ' CG2' ' HB1' ' A' ' 149' ' ' ALA . 4.6 t -101.55 121.21 52.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 35.8 m -99.97 170.93 8.17 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-O 122.05 0.928 . . . . 0.0 112.573 -178.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.274 9.3 pt-20 -59.75 -41.53 91.18 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -177.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -36.92 80.53 Favored 'General case' 0 CA--C 1.582 2.197 0 CA-C-N 121.454 1.933 . . . . 0.0 112.413 175.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -20.01 58.65 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.4 -1.437 . . . . 0.0 112.943 176.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.458 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.2 OUTLIER -71.63 -57.5 4.33 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.009 1.724 . . . . 0.0 110.578 174.791 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -60.03 2.49 Favored 'General case' 0 CA--C 1.572 1.794 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . 0.252 6.6 ptt-85 -80.19 -40.37 27.37 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 121.625 3.935 . . . . 0.0 121.625 -175.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.4 tp . . . . . 0 N--CA 1.523 3.221 0 CA-C-N 125.667 3.849 . . . . 0.0 118.388 -178.982 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 CA--C 1.599 2.852 1 N-CA-C 99.799 -4.148 . . . . 0.0 99.799 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -39.79 -38.37 1.11 Allowed Glycine 0 N--CA 1.512 3.736 0 CA-C-N 124.68 3.4 . . . . 0.0 118.435 -177.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -70.19 -52.62 21.96 Favored 'General case' 0 CA--C 1.58 2.114 0 CA-C-O 117.077 -1.439 . . . . 0.0 108.616 171.972 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.01 -40.6 76.96 Favored 'General case' 0 CA--C 1.6 2.884 0 CA-C-N 122.77 2.532 . . . . 0.0 112.385 175.04 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 tt -58.64 -60.05 4.44 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.002 1.721 . . . . 0.0 111.541 176.175 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.9 m . . . . . 0 N--CA 1.502 2.157 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 178.668 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.515 2.812 0 CA-C-O 117.281 -1.342 . . . . 0.0 110.483 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 73.45 -54.68 0.69 Allowed 'General case' 0 N--CA 1.538 3.928 0 CA-C-N 124.028 3.104 . . . . 0.0 107.99 -169.161 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -39.96 -46.26 2.03 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 131.437 3.895 . . . . 0.0 114.57 175.348 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.8 tt -68.96 -41.94 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 CA-C-N 120.51 1.505 . . . . 0.0 112.935 176.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.79 -47.59 52.36 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 179.401 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -68.04 -38.88 83.01 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 120.096 1.317 . . . . 0.0 112.072 176.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.23 -42.3 75.88 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-N 121.353 1.888 . . . . 0.0 113.851 178.482 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.479 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 9.4 t80 -66.67 -47.26 73.05 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 121.016 1.735 . . . . 0.0 110.562 176.356 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -61.92 -36.63 81.94 Favored 'General case' 0 CA--C 1.575 1.939 0 CA-C-N 120.85 1.659 . . . . 0.0 113.314 -179.451 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.5 mt -80.06 -19.97 46.33 Favored 'General case' 0 CA--C 1.579 2.091 0 CA-C-N 121.984 2.174 . . . . 0.0 112.186 173.512 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.576 ' CE1' HG21 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -66.34 -42.25 88.4 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-N 121.334 1.879 . . . . 0.0 111.399 172.562 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.12 75.76 2.97 Favored 'General case' 0 CA--C 1.594 2.638 0 CA-C-N 118.385 0.538 . . . . 0.0 112.084 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -39.97 -11.94 0.01 OUTLIER 'General case' 0 CA--C 1.609 3.222 0 N-CA-C 118.929 2.937 . . . . 0.0 118.929 175.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -100.3 -12.12 19.76 Favored 'General case' 0 CA--C 1.585 2.324 0 C-N-CA 125.77 1.628 . . . . 0.0 112.304 177.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 78.36 -7.99 1.72 Allowed 'General case' 0 CA--C 1.597 2.768 0 C-N-CA 126.768 2.027 . . . . 0.0 115.116 -178.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.9 t -71.79 -21.7 61.68 Favored 'General case' 0 CA--C 1.572 1.813 0 C-N-CA 127.094 2.157 . . . . 0.0 115.25 178.433 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 82.55 65.53 1.61 Allowed Glycine 0 C--N 1.348 1.246 0 N-CA-C 117.668 1.827 . . . . 0.0 117.668 178.637 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.33 124.14 6.1 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 123.789 0.836 . . . . 0.0 108.797 178.509 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . 0.27 0.5 OUTLIER -99.9 119.97 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 N-CA-C 104.101 -2.555 . . . . 0.0 104.101 176.448 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.7 p -100.34 163.13 12.52 Favored 'General case' 0 CA--C 1.584 2.263 0 CA-C-N 111.695 -2.502 . . . . 0.0 106.479 174.318 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.82 -38.55 56.24 Favored 'General case' 0 N--CA 1.521 3.114 0 O-C-N 119.757 -1.839 . . . . 0.0 113.961 177.016 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -54.56 -45.39 73.47 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 124.586 1.155 . . . . 0.0 113.05 177.15 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -65.44 -35.87 82.21 Favored 'General case' 0 CA--C 1.585 2.296 0 CA-C-N 119.296 0.953 . . . . 0.0 109.693 174.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.545 ' HA ' HG22 ' A' ' 129' ' ' VAL . 76.5 mt -58.59 -40.72 84.0 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-N 120.1 1.318 . . . . 0.0 111.506 174.67 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -61.43 -48.37 81.49 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-N 119.646 1.112 . . . . 0.0 110.344 173.606 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.7 mmm-85 -51.76 -56.59 12.96 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 123.118 0.567 . . . . 0.0 112.474 174.14 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.576 HG21 ' CE1' ' A' ' 113' ' ' PHE 0.286 14.6 m -65.99 -35.27 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 124.958 1.303 . . . . 0.0 113.708 -178.297 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.4 -48.92 79.82 Favored 'General case' 0 CA--C 1.572 1.813 0 CA-C-N 119.036 0.835 . . . . 0.0 110.703 173.861 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -68.4 -42.19 79.4 Favored 'General case' 0 CA--C 1.582 2.198 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 174.035 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -69.21 -25.46 64.33 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 117.487 2.402 . . . . 0.0 117.487 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 17.5 mt -69.81 -66.56 0.57 Allowed 'General case' 0 CA--C 1.586 2.345 0 CA-C-N 120.577 1.535 . . . . 0.0 113.011 176.758 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 158.91 -43.79 0.47 Allowed Glycine 0 CA--C 1.557 2.68 0 C-N-CA 125.179 1.371 . . . . 0.0 112.177 -177.139 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -94.99 106.73 18.74 Favored 'General case' 0 CA--C 1.565 1.527 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 177.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -77.61 101.93 6.78 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -177.212 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.4 mp -77.53 155.26 31.73 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.242 0.617 . . . . 0.0 111.9 177.011 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . 0.65 ' O ' HD13 ' A' ' 142' ' ' LEU . 2.6 t -94.92 162.63 13.67 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 125.158 2.409 . . . . 0.0 111.737 -177.799 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -39.95 -50.97 2.52 Favored 'General case' 0 CA--C 1.572 1.803 0 CA-C-N 110.893 -2.867 . . . . 0.0 116.878 178.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -41.79 98.26 Favored 'General case' 0 CA--C 1.571 1.758 0 C-N-CA 124.998 1.319 . . . . 0.0 113.251 177.258 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -60.12 -49.96 75.59 Favored 'General case' 0 CA--C 1.577 1.995 0 C-N-CA 123.892 0.877 . . . . 0.0 111.618 175.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 138' ' ' THR . 0.7 OUTLIER -60.76 -49.6 76.83 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 177.579 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -67.05 -32.16 73.16 Favored 'General case' 0 CA--C 1.58 2.134 0 CA-C-N 119.506 1.048 . . . . 0.0 111.584 178.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -61.1 -47.39 86.49 Favored 'General case' 0 CA--C 1.578 2.021 0 CA-C-N 120.151 1.341 . . . . 0.0 109.929 173.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.9 ptp -63.94 -31.37 72.52 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 120.077 1.308 . . . . 0.0 111.951 175.073 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.8 mm -60.05 -54.12 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 CA-C-N 121.686 2.039 . . . . 0.0 109.33 172.469 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.65 -34.64 69.56 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.46 -54.58 30.34 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-O 121.811 0.815 . . . . 0.0 109.945 171.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . 0.41 ' HB1' ' CG2' ' A' ' 157' ' ' VAL . . . -56.76 -39.45 74.04 Favored 'General case' 0 CA--C 1.572 1.801 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 178.71 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -90.33 96.19 10.54 Favored 'General case' 0 CA--C 1.59 2.49 0 CA-C-O 116.575 -1.678 . . . . 0.0 106.779 178.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -32.87 68.01 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 125.954 3.979 . . . . 0.0 118.286 -175.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -78.49 -36.11 45.58 Favored 'General case' 0 CA--C 1.589 2.46 0 CA-C-N 118.893 0.77 . . . . 0.0 110.668 173.363 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 88.05 51.89 3.07 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 118.647 2.219 . . . . 0.0 118.647 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -91.6 -42.63 10.1 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 118.955 -0.545 . . . . 0.0 111.397 176.784 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 151.69 -0.97 0.32 Allowed Glycine 0 CA--C 1.552 2.375 0 N-CA-C 119.777 2.671 . . . . 0.0 119.777 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -156.21 153.15 28.75 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 120.631 2.215 . . . . 0.0 111.347 -179.355 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . 0.41 ' CG2' ' HB1' ' A' ' 149' ' ' ALA . 8.6 t -99.8 120.44 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 -178.231 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 7.1 t -99.91 173.41 6.68 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-O 123.768 1.747 . . . . 0.0 112.187 -178.063 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.28 -49.35 17.52 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 113.603 -1.635 . . . . 0.0 115.011 178.455 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -61.45 -41.24 96.9 Favored 'General case' 0 CA--C 1.569 1.695 0 CA-C-O 116.295 -1.812 . . . . 0.0 113.447 177.163 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -72.71 -23.85 60.91 Favored 'General case' 0 N--CA 1.506 2.369 0 CA-C-N 123.572 2.896 . . . . 0.0 113.422 175.206 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.479 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.5 OUTLIER -62.72 -59.93 4.2 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 124.822 1.249 . . . . 0.0 110.683 174.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' A' ' 163' ' ' LEU . 1.3 pp -80.16 -50.46 10.25 Favored 'General case' 0 CA--C 1.575 1.92 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 178.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -80.12 -33.8 38.37 Favored 'General case' 0 CA--C 1.581 2.169 0 N-CA-C 118.661 2.837 . . . . 0.0 118.661 -179.422 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.517 2.879 0 N-CA-C 119.765 3.246 . . . . 0.0 119.765 179.97 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 CA--C 1.581 2.171 0 CA-C-O 118.446 -0.788 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.34 -41.1 99.43 Favored Glycine 0 N--CA 1.5 2.901 0 CA-C-N 120.509 1.504 . . . . 0.0 114.243 174.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -64.24 -45.43 88.19 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 124.724 1.21 . . . . 0.0 111.206 175.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -57.11 -44.76 83.55 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-N 119.797 1.18 . . . . 0.0 110.215 174.641 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.25 -56.95 14.73 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 119.276 0.944 . . . . 0.0 112.361 177.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.0 t . . . . . 0 N--CA 1.515 2.775 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 177.823 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.513 2.699 0 CA-C-O 117.891 -1.052 . . . . 0.0 109.516 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 73.98 -56.78 0.64 Allowed 'General case' 0 N--CA 1.532 3.67 0 CA-C-N 124.357 3.253 . . . . 0.0 108.702 -172.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -49.04 -37.1 19.78 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 127.072 2.149 . . . . 0.0 114.23 176.161 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.5 mt -64.02 -54.13 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 CA-C-N 121.698 2.045 . . . . 0.0 109.125 175.614 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.3 mp -68.45 -41.74 79.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.71 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -66.89 -45.82 76.83 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-O 116.58 -1.676 . . . . 0.0 112.15 175.647 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.48 -44.31 78.87 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 122.307 2.321 . . . . 0.0 113.72 178.687 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.467 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 8.5 t80 -68.62 -43.15 76.96 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 120.479 1.49 . . . . 0.0 112.39 177.285 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -65.28 -36.27 83.57 Favored 'General case' 0 CA--C 1.571 1.771 0 CA-C-O 116.848 -1.548 . . . . 0.0 112.048 -179.405 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.72 -33.02 71.91 Favored 'General case' 0 CA--C 1.58 2.109 0 CA-C-N 122.464 2.393 . . . . 0.0 111.772 172.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -46.08 89.23 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 125.33 1.452 . . . . 0.0 114.185 174.834 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -75.08 66.65 1.66 Allowed 'General case' 0 CA--C 1.602 2.947 0 CA-C-N 119.978 1.263 . . . . 0.0 113.58 178.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -39.96 -24.46 0.02 OUTLIER 'General case' 0 N--CA 1.533 3.678 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 175.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -92.75 0.19 57.38 Favored 'General case' 0 CA--C 1.59 2.489 0 O-C-N 120.367 -1.458 . . . . 0.0 113.076 177.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 72.86 -7.55 1.44 Allowed 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 117.518 2.414 . . . . 0.0 117.518 177.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.1 p -71.05 -24.37 62.33 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 119.369 -2.082 . . . . 0.0 115.33 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 78.08 56.23 3.82 Favored Glycine 0 CA--C 1.54 1.656 0 N-CA-C 116.803 1.481 . . . . 0.0 116.803 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -153.0 109.94 3.47 Favored 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -179.274 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.3 mp -99.99 129.19 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.58 0 CA-C-O 123.236 1.493 . . . . 0.0 109.596 179.505 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.67 170.04 8.17 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 111.79 -2.459 . . . . 0.0 108.47 175.533 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -54.92 -38.1 67.23 Favored 'General case' 0 N--CA 1.508 2.451 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 179.432 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -65.18 -40.13 93.82 Favored 'General case' 0 CA--C 1.574 1.902 0 O-C-N 121.371 -0.831 . . . . 0.0 111.886 178.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -34.76 78.74 Favored 'General case' 0 CA--C 1.583 2.219 0 CA-C-O 117.754 -1.117 . . . . 0.0 109.107 174.072 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.9 mt -54.03 -47.48 71.51 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 121.06 1.754 . . . . 0.0 110.38 172.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -56.65 -45.62 81.51 Favored 'General case' 0 CA--C 1.576 1.958 0 C-N-CA 124.575 1.15 . . . . 0.0 111.801 174.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -54.4 -52.27 62.24 Favored 'General case' 0 N--CA 1.508 2.47 0 CA-C-N 119.271 0.941 . . . . 0.0 112.126 175.404 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . 0.266 6.1 t -67.9 -36.07 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.363 0 C-N-CA 123.193 0.597 . . . . 0.0 110.837 178.386 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.91 -45.15 82.84 Favored 'General case' 0 CA--C 1.573 1.853 0 CA-C-N 120.231 1.378 . . . . 0.0 113.216 175.451 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -71.68 -47.46 54.04 Favored 'General case' 0 CA--C 1.58 2.103 0 CA-C-N 120.401 1.455 . . . . 0.0 112.508 174.274 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -51.35 -44.92 62.19 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 118.053 2.612 . . . . 0.0 118.053 179.53 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -41.13 93.04 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 117.658 2.466 . . . . 0.0 117.658 179.759 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 175.79 -63.82 0.1 OUTLIER Glycine 0 CA--C 1.542 1.767 0 CA-C-N 112.173 -2.285 . . . . 0.0 111.174 178.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -165.06 135.89 3.95 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 120.714 2.257 . . . . 0.0 108.885 178.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -60.3 145.39 47.77 Favored 'General case' 0 CA--C 1.56 1.346 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -179.323 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.7 tt -78.71 -93.29 0.03 OUTLIER 'General case' 0 CA--C 1.562 1.405 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.381 179.593 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.2 m -157.86 143.71 17.26 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 120.873 1.67 . . . . 0.0 106.94 176.236 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -42.73 -50.3 5.57 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 117.339 2.348 . . . . 0.0 117.339 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.2 -41.71 99.2 Favored 'General case' 0 CA--C 1.574 1.881 0 C-N-CA 125.281 1.433 . . . . 0.0 113.708 177.878 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.89 -51.62 67.42 Favored 'General case' 0 N--CA 1.499 2.003 0 C-N-CA 124.799 1.24 . . . . 0.0 111.156 175.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 12.2 mt -57.03 -38.53 73.3 Favored 'General case' 0 CA--C 1.58 2.11 0 O-C-N 120.908 -1.12 . . . . 0.0 111.849 174.289 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -70.84 -38.6 73.2 Favored 'General case' 0 CA--C 1.568 1.659 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.736 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -58.68 -38.26 77.83 Favored 'General case' 0 CA--C 1.584 2.258 0 CA-C-N 120.077 1.308 . . . . 0.0 109.836 172.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -45.3 93.29 Favored 'General case' 0 CA--C 1.578 2.032 0 C-N-CA 124.248 1.019 . . . . 0.0 110.624 173.265 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 11.8 mm -58.64 -56.39 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 C-N-CA 124.871 1.268 . . . . 0.0 111.27 174.23 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -38.64 70.06 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -47.43 54.37 Favored 'General case' 0 CA--C 1.59 2.498 0 CA-C-N 120.082 1.31 . . . . 0.0 110.885 172.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.23 -37.16 79.48 Favored 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 117.401 2.371 . . . . 0.0 117.401 178.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.311 27.0 t70 -70.33 44.0 0.07 Allowed 'General case' 0 CA--C 1.604 3.023 0 CA-C-N 120.66 1.573 . . . . 0.0 113.308 178.315 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -39.91 -50.01 2.46 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 120.284 3.439 . . . . 0.0 120.284 -171.758 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -137.5 55.73 1.79 Allowed 'General case' 0 CA--C 1.575 1.904 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 175.426 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -128.46 -141.28 5.17 Favored Glycine 0 CA--C 1.567 3.32 0 CA-C-N 121.681 2.037 . . . . 0.0 114.731 -178.612 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -129.47 16.95 5.95 Favored 'General case' 0 CA--C 1.593 2.6 0 C-N-CA 125.69 1.596 . . . . 0.0 114.911 -177.247 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 114.31 19.31 6.31 Favored Glycine 0 CA--C 1.568 3.355 0 O-C-N 119.526 -1.984 . . . . 0.0 113.64 -175.528 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -157.24 163.39 38.83 Favored 'General case' 0 CA--C 1.58 2.125 0 C-N-CA 125.979 1.712 . . . . 0.0 107.883 -177.773 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.89 116.2 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.282 0 O-C-N 119.095 -2.253 . . . . 0.0 107.349 -176.706 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 4.2 t -100.75 171.81 7.46 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 122.849 1.309 . . . . 0.0 114.246 -178.466 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -46.21 23.71 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.304 1.442 . . . . 0.0 114.504 176.076 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -42.87 99.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.214 -1.554 . . . . 0.0 114.783 177.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.256 2.0 tp10 -72.19 -34.54 68.49 Favored 'General case' 0 CA--C 1.591 2.531 0 CA-C-N 120.418 1.463 . . . . 0.0 110.42 174.441 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.467 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 4.0 t80 -57.4 -50.6 72.46 Favored 'General case' 0 C--N 1.361 1.07 0 CA-C-N 120.626 1.557 . . . . 0.0 113.397 176.665 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.08 -55.59 4.83 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-O 119.146 -0.454 . . . . 0.0 112.126 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.445 ' O ' HG22 ' A' ' 165' ' ' ILE . 16.4 mmp_? -80.27 -60.0 2.49 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 118.019 2.6 . . . . 0.0 118.019 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 164' ' ' ARG 0.261 7.2 tp . . . . . 0 N--CA 1.511 2.607 1 C-N-CA 131.874 4.07 . . . . 0.0 112.773 -177.462 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.514 2.726 0 N-CA-C 117.184 2.29 . . . . 0.0 117.184 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -50.69 -37.02 33.38 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 116.999 1.56 . . . . 0.0 116.999 177.42 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.04 -42.27 97.13 Favored 'General case' 0 CA--C 1.579 2.088 0 CA-C-O 118.583 -0.723 . . . . 0.0 111.668 175.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -62.39 -45.84 91.31 Favored 'General case' 0 CA--C 1.589 2.48 0 CA-C-N 120.926 1.694 . . . . 0.0 107.352 172.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . 0.52 HD23 ' HB2' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -50.24 -55.63 14.51 Favored 'General case' 0 N--CA 1.509 2.511 0 CA-C-N 120.378 1.445 . . . . 0.0 113.999 174.663 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.0 m . . . . . 0 N--CA 1.503 2.2 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 178.328 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.287 0.0 OUTLIER . . . . . 0 N--CA 1.513 2.72 0 N-CA-C 114.371 1.248 . . . . 0.0 114.371 . . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 65.38 -32.14 0.15 Allowed 'General case' 0 N--CA 1.527 3.403 0 O-C-N 119.276 -2.14 . . . . 0.0 112.765 -170.389 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -69.14 -30.45 68.71 Favored 'General case' 0 CA--C 1.568 1.638 0 CA-C-N 121.616 2.007 . . . . 0.0 112.476 175.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -37.2 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.408 0 CA-C-N 119.665 1.121 . . . . 0.0 111.434 173.559 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.461 HD13 ' CZ ' ' A' ' 162' ' ' PHE . 1.0 OUTLIER -62.87 -46.42 87.96 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 177.031 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -67.1 -40.65 86.95 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 119.336 0.971 . . . . 0.0 112.596 176.344 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . 0.52 ' HB2' HD23 ' A' ' 90' ' ' LEU . . . -63.2 -54.87 30.71 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 117.358 -1.306 . . . . 0.0 113.023 177.389 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.554 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 3.2 t80 -62.84 -45.63 91.7 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-N 121.032 1.742 . . . . 0.0 112.141 178.257 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -64.49 -30.02 71.06 Favored 'General case' 0 CA--C 1.587 2.371 0 CA-C-N 120.481 1.491 . . . . 0.0 111.726 179.754 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.7 mt -79.76 -19.98 47.41 Favored 'General case' 0 CA--C 1.58 2.116 0 CA-C-N 122.382 2.355 . . . . 0.0 111.931 172.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -62.17 -44.46 96.56 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 122.625 2.466 . . . . 0.0 110.792 171.234 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.87 76.76 0.89 Allowed 'General case' 0 CA--C 1.581 2.173 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -178.295 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -50.86 -10.09 0.06 Allowed 'General case' 0 CA--C 1.617 3.528 0 O-C-N 119.773 -1.829 . . . . 0.0 115.472 172.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -104.66 -18.76 14.18 Favored 'General case' 0 CA--C 1.584 2.288 0 C-N-CA 126.57 1.948 . . . . 0.0 111.583 177.269 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 81.18 -5.25 1.65 Allowed 'General case' 0 CA--C 1.589 2.445 0 CA-C-N 121.796 2.089 . . . . 0.0 114.835 -179.328 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.1 t -64.89 -21.83 66.88 Favored 'General case' 0 CA--C 1.572 1.805 0 O-C-N 119.732 -1.855 . . . . 0.0 115.032 179.16 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.56 57.35 6.67 Favored Glycine 0 C--N 1.353 1.482 0 N-CA-C 118.784 2.274 . . . . 0.0 118.784 177.788 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.95 110.62 4.51 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 178.17 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . 0.25 0.5 OUTLIER -99.94 118.58 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 CA-C-O 123.908 1.813 . . . . 0.0 106.937 178.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 76.2 p -100.01 162.2 13.13 Favored 'General case' 0 CA--C 1.574 1.875 0 CA-C-N 111.212 -2.722 . . . . 0.0 106.438 174.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -52.25 -35.87 50.96 Favored 'General case' 0 CA--C 1.583 2.226 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -179.477 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -63.06 -39.06 93.6 Favored 'General case' 0 CA--C 1.571 1.754 0 CA-C-O 117.329 -1.319 . . . . 0.0 113.874 178.061 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.26 0.4 OUTLIER -72.08 -29.65 64.33 Favored 'General case' 0 N--CA 1.513 2.695 0 CA-C-N 121.623 2.011 . . . . 0.0 110.103 176.161 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.47 -42.34 82.4 Favored 'General case' 0 N--CA 1.514 2.763 0 CA-C-N 121.56 1.982 . . . . 0.0 110.175 169.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -60.14 -45.94 91.32 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 124.135 0.974 . . . . 0.0 111.505 174.468 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -50.74 -60.11 3.39 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 123.717 0.807 . . . . 0.0 111.423 174.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.3 m -62.88 -41.27 91.99 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.422 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -179.13 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.52 -50.51 71.62 Favored 'General case' 0 CA--C 1.567 1.601 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 177.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -37.05 54.2 Favored 'General case' 0 CA--C 1.577 2.015 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.929 174.803 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -66.98 -25.73 66.46 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 176.421 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.8 mt -60.78 -61.69 2.4 Favored 'General case' 0 CA--C 1.574 1.872 0 CA-C-N 119.746 1.157 . . . . 0.0 113.712 176.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 154.33 35.96 0.03 OUTLIER Glycine 0 CA--C 1.552 2.385 0 C-N-CA 124.65 1.119 . . . . 0.0 114.975 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 68.84 122.09 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 126.205 1.802 . . . . 0.0 113.145 -178.731 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -166.75 -50.13 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.549 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -129.19 169.23 15.05 Favored 'General case' 0 N--CA 1.498 1.974 0 CA-C-N 120.295 1.407 . . . . 0.0 113.303 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 13.4 t -110.17 162.38 14.64 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -176.004 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -43.3 -51.25 6.37 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 117.606 2.447 . . . . 0.0 117.606 179.375 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.6 -46.83 88.16 Favored 'General case' 0 CA--C 1.578 2.048 0 CA-C-N 113.785 -1.552 . . . . 0.0 113.041 178.129 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . 0.263 8.1 tp10 -57.25 -48.72 78.13 Favored 'General case' 0 CA--C 1.591 2.537 0 C-N-CA 124.539 1.136 . . . . 0.0 111.562 175.744 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 30.4 mt -56.41 -40.77 75.22 Favored 'General case' 0 CA--C 1.577 2.0 0 O-C-N 119.769 -1.832 . . . . 0.0 111.672 172.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.451 HE22 HG21 ' A' ' 146' ' ' ILE . 0.5 OUTLIER -62.91 -39.35 94.29 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 117.008 -1.473 . . . . 0.0 111.009 177.78 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -63.38 -32.7 74.2 Favored 'General case' 0 CA--C 1.593 2.598 0 CA-C-N 121.834 2.106 . . . . 0.0 110.722 173.23 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -64.44 -34.46 78.25 Favored 'General case' 0 CA--C 1.589 2.473 0 O-C-N 120.627 -1.295 . . . . 0.0 111.609 172.23 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.451 HG21 HE22 ' A' ' 143' ' ' GLN . 2.2 mm -60.33 -58.03 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 119.861 -1.775 . . . . 0.0 108.775 173.419 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.61 -35.41 63.36 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.252 179.652 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -38.15 83.37 Favored 'General case' 0 N--CA 1.513 2.697 0 CA-C-N 121.637 2.017 . . . . 0.0 112.039 172.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.0 -28.02 39.52 Favored 'General case' 0 CA--C 1.586 2.334 0 N-CA-C 120.411 3.486 . . . . 0.0 120.411 177.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.62 41.71 0.02 OUTLIER 'General case' 0 CA--C 1.596 2.743 0 N-CA-C 120.261 3.43 . . . . 0.0 120.261 -176.013 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -22.98 63.72 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 121.608 3.929 . . . . 0.0 121.608 -174.624 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.94 -29.04 68.01 Favored 'General case' 0 CA--C 1.596 2.727 0 CA-C-N 120.347 1.43 . . . . 0.0 110.922 172.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 109.3 18.25 9.33 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 122.466 3.746 . . . . 0.0 122.466 176.28 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -123.94 9.52 8.78 Favored 'General case' 0 CA--C 1.586 2.355 0 CA-C-N 119.827 1.813 . . . . 0.0 112.759 178.587 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 84.19 22.29 54.96 Favored Glycine 0 N--CA 1.505 3.258 0 CA-C-N 123.651 2.932 . . . . 0.0 118.31 -178.693 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -148.06 150.39 33.82 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 119.314 1.557 . . . . 0.0 108.746 178.056 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.3 t -99.89 117.98 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.116 -0.99 . . . . 0.0 110.561 -175.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . 0.476 ' H ' ' CG ' ' A' ' 161' ' ' GLU . 1.2 m -99.86 169.63 9.09 Favored 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 125.146 1.378 . . . . 0.0 111.702 -179.134 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -49.98 65.08 Favored 'General case' 0 N--CA 1.504 2.247 0 CA-C-O 116.177 -1.868 . . . . 0.0 113.554 178.655 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . 0.422 ' HA ' ' CD2' ' A' ' 163' ' ' LEU . 2.2 mp0 -59.53 -41.94 91.17 Favored 'General case' 0 CA--C 1.571 1.759 0 CA-C-N 122.797 2.544 . . . . 0.0 113.757 176.468 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . 0.476 ' CG ' ' H ' ' A' ' 158' ' ' SER . 6.6 pt-20 -72.44 -19.8 61.51 Favored 'General case' 0 CA--C 1.587 2.401 0 CA-C-N 120.696 1.589 . . . . 0.0 112.948 174.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -69.14 -59.98 2.66 Favored 'General case' 0 CA--C 1.566 1.577 0 O-C-N 119.38 -2.075 . . . . 0.0 109.813 174.3 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.422 ' CD2' ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -80.14 -51.58 8.81 Favored 'General case' 0 CA--C 1.58 2.118 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 178.743 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 15.0 mtm-85 -80.18 -19.81 46.22 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 120.824 3.639 . . . . 0.0 120.824 -176.224 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.969 0 CA-C-N 124.777 3.444 . . . . 0.0 116.817 179.598 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 CA--C 1.627 3.918 1 N-CA-C 96.404 -5.406 . . . . 0.0 96.404 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -39.87 -40.53 1.66 Allowed Glycine 1 C--N 1.407 4.49 0 CA-C-N 124.969 3.531 . . . . 0.0 118.161 -175.587 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.72 -49.8 60.75 Favored 'General case' 0 CA--C 1.582 2.209 0 CA-C-N 111.664 -2.268 . . . . 0.0 109.462 174.644 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -60.81 -38.93 87.09 Favored 'General case' 0 N--CA 1.518 2.97 0 CA-C-N 123.173 2.715 . . . . 0.0 110.622 173.16 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.35 -59.08 6.02 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 119.584 -1.948 . . . . 0.0 111.763 176.37 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.1 m . . . . . 0 N--CA 1.501 2.099 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 177.134 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.524 3.27 0 CA-C-O 116.286 -1.816 . . . . 0.0 108.341 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 68.55 -53.0 0.55 Allowed 'General case' 1 N--CA 1.546 4.363 1 CA-C-N 126.13 4.059 . . . . 0.0 110.38 -173.137 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . 0.323 2.6 tt0 -39.97 -50.32 2.52 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 131.664 3.985 . . . . 0.0 111.137 171.605 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.0 tt -63.47 -45.09 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 CA-C-N 119.426 1.012 . . . . 0.0 112.837 177.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.28 -45.95 71.7 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.029 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -66.14 -48.3 71.25 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-O 117.325 -1.322 . . . . 0.0 112.255 176.556 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.88 87.48 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 121.245 1.839 . . . . 0.0 114.433 179.083 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.461 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 6.8 t80 -68.52 -45.74 71.45 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-O 116.93 -1.51 . . . . 0.0 111.428 175.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -63.48 -33.8 76.37 Favored 'General case' 0 CA--C 1.58 2.124 0 CA-C-N 120.384 1.447 . . . . 0.0 112.264 -178.447 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 pp -76.33 -22.66 54.65 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 121.247 1.839 . . . . 0.0 112.582 172.33 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . 0.555 ' CE1' HG21 ' A' ' 129' ' ' VAL . 13.7 m-85 -62.34 -52.77 62.32 Favored 'General case' 0 CA--C 1.567 1.62 0 CA-C-N 121.232 1.833 . . . . 0.0 109.967 172.369 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -68.51 71.42 0.19 Allowed 'General case' 0 CA--C 1.591 2.552 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -176.301 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . 0.435 ' CG ' HH21 ' A' ' 128' ' ' ARG . 66.0 m-20 -40.03 -16.12 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.82 0 N-CA-C 119.095 2.998 . . . . 0.0 119.095 174.646 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -101.32 -2.9 29.91 Favored 'General case' 0 CA--C 1.589 2.475 0 CA-C-N 120.45 1.477 . . . . 0.0 112.292 177.62 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 73.55 -6.16 1.83 Allowed 'General case' 0 CA--C 1.586 2.359 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 178.51 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.6 p -72.16 -28.51 63.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 119.24 -2.163 . . . . 0.0 114.268 179.367 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.81 55.18 2.88 Favored Glycine 0 CA--C 1.541 1.706 0 N-CA-C 117.08 1.592 . . . . 0.0 117.08 179.74 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -146.15 109.92 4.87 Favored 'General case' 0 CA--C 1.561 1.404 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.327 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.3 mp -102.07 119.09 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 CA-C-O 124.032 1.873 . . . . 0.0 108.218 178.042 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.2 p -99.97 165.93 11.3 Favored 'General case' 0 CA--C 1.596 2.715 0 CA-C-N 111.152 -2.749 . . . . 0.0 104.951 172.243 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -49.05 -40.7 32.39 Favored 'General case' 0 N--CA 1.511 2.603 0 N-CA-C 117.268 2.322 . . . . 0.0 117.268 -179.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -59.29 -42.82 92.17 Favored 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 178.466 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -66.13 -36.8 84.1 Favored 'General case' 0 N--CA 1.508 2.439 0 CA-C-O 117.069 -1.443 . . . . 0.0 109.16 174.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . 0.469 ' HA ' HG23 ' A' ' 129' ' ' VAL . 49.7 mt -55.72 -39.43 71.08 Favored 'General case' 0 CA--C 1.592 2.591 0 CA-C-N 121.997 2.181 . . . . 0.0 110.4 173.55 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -57.64 -48.72 78.67 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 125.563 1.545 . . . . 0.0 110.621 172.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . 0.435 HH21 ' CG ' ' A' ' 115' ' ' ASP . 2.6 ppt_? -57.16 -44.0 83.07 Favored 'General case' 0 N--CA 1.517 2.881 0 CA-C-N 120.175 1.352 . . . . 0.0 112.855 175.832 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.555 HG21 ' CE1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -67.78 -43.54 86.26 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 178.377 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -48.48 -47.16 38.78 Favored 'General case' 0 CA--C 1.562 1.415 0 C-N-CA 125.05 1.34 . . . . 0.0 113.5 176.222 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -75.15 -34.29 61.61 Favored 'General case' 0 CA--C 1.589 2.47 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 173.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -75.5 -29.87 59.67 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 119.1 3.0 . . . . 0.0 119.1 179.41 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 37.7 mt -64.69 -75.31 0.09 Allowed 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -178.728 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -166.91 -41.54 0.02 OUTLIER Glycine 0 N--CA 1.492 2.417 0 N-CA-C 118.738 2.255 . . . . 0.0 118.738 -179.114 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -128.16 119.85 26.11 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 119.552 1.676 . . . . 0.0 108.415 -179.635 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -90.03 109.07 20.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.21 -0.931 . . . . 0.0 111.369 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.16 -116.78 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 122.869 0.468 . . . . 0.0 111.088 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.8 t -150.06 163.2 38.79 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 125.683 2.659 . . . . 0.0 110.124 179.655 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -44.67 -49.16 10.52 Favored 'General case' 0 CA--C 1.569 1.704 0 CA-C-N 110.377 -3.101 . . . . 0.0 117.249 177.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.88 -43.41 98.86 Favored 'General case' 0 CA--C 1.574 1.878 0 C-N-CA 125.761 1.625 . . . . 0.0 113.144 178.172 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -56.05 -54.8 40.64 Favored 'General case' 0 N--CA 1.505 2.291 0 C-N-CA 124.192 0.997 . . . . 0.0 110.779 174.119 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.3 mt -59.55 -35.09 73.54 Favored 'General case' 0 CA--C 1.574 1.873 0 O-C-N 120.886 -1.134 . . . . 0.0 113.282 175.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.458 HE22 HG21 ' A' ' 146' ' ' ILE . 0.6 OUTLIER -68.36 -38.75 81.74 Favored 'General case' 0 CA--C 1.561 1.396 0 CA-C-O 117.002 -1.475 . . . . 0.0 111.187 178.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -63.77 -35.77 81.7 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-N 121.246 1.839 . . . . 0.0 109.456 172.623 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 78.2 mmm -59.98 -39.62 86.31 Favored 'General case' 0 CA--C 1.588 2.417 0 O-C-N 120.091 -1.631 . . . . 0.0 110.965 173.144 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.458 HG21 HE22 ' A' ' 143' ' ' GLN . 3.2 mm -60.43 -55.93 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 C-N-CA 124.453 1.101 . . . . 0.0 109.18 172.175 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.3 -41.21 27.45 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -179.545 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -73.41 -45.59 53.72 Favored 'General case' 0 CA--C 1.587 2.384 0 N-CA-C 111.442 0.164 . . . . 0.0 111.442 174.536 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.28 -37.65 88.24 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 117.78 2.511 . . . . 0.0 117.78 177.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.31 32.7 t70 -77.52 44.44 0.44 Allowed 'General case' 0 CA--C 1.583 2.22 0 C-N-CA 126.075 1.75 . . . . 0.0 115.133 -178.737 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.09 -50.02 3.43 Favored 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 119.241 3.052 . . . . 0.0 119.241 -175.362 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -127.11 46.25 2.55 Favored 'General case' 0 CA--C 1.588 2.409 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 175.799 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -118.95 -32.84 1.22 Allowed Glycine 0 N--CA 1.497 2.706 0 N-CA-C 123.015 3.966 . . . . 0.0 123.015 -176.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 16.1 t70 79.71 -13.73 0.92 Allowed 'General case' 0 CA--C 1.598 2.816 0 CA-C-N 120.02 1.91 . . . . 0.0 113.594 -176.629 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 172.36 9.1 0.02 OUTLIER Glycine 0 CA--C 1.559 2.84 0 N-CA-C 118.689 2.236 . . . . 0.0 118.689 179.214 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -160.05 148.9 17.34 Favored 'General case' 0 CA--C 1.57 1.714 0 CA-C-N 120.333 2.067 . . . . 0.0 111.838 -179.438 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.4 t -99.84 112.05 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 N-CA-C 104.187 -2.523 . . . . 0.0 104.187 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 83.8 p -99.91 173.84 6.48 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-O 122.159 0.98 . . . . 0.0 113.386 -178.103 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -47.28 -49.19 24.23 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 179.481 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -61.97 -42.58 99.29 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 116.749 -1.596 . . . . 0.0 114.788 177.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.321 6.4 tp10 -72.81 -25.35 61.11 Favored 'General case' 0 CA--C 1.589 2.477 0 CA-C-N 122.147 2.249 . . . . 0.0 112.522 175.842 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.6 OUTLIER -63.85 -59.22 4.81 Favored 'General case' 0 CA--C 1.554 1.105 0 O-C-N 119.676 -1.89 . . . . 0.0 110.915 175.263 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' A' ' 163' ' ' LEU 0.262 0.3 OUTLIER -80.18 -47.6 14.44 Favored 'General case' 0 CA--C 1.575 1.936 0 CA-C-O 117.406 -1.283 . . . . 0.0 113.366 -179.868 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.04 -19.91 46.51 Favored 'General case' 0 N--CA 1.505 2.314 0 CA-C-N 122.439 2.381 . . . . 0.0 117.276 177.751 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.253 6.7 tp . . . . . 0 N--CA 1.512 2.633 0 CA-C-N 122.582 2.446 . . . . 0.0 117.526 -178.705 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 . . . . . 0 N--CA 1.51 2.527 0 N-CA-C 119.987 3.328 . . . . 0.0 119.987 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -44.98 -47.1 9.59 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 116.605 1.402 . . . . 0.0 116.605 179.234 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -62.81 -55.09 29.51 Favored 'General case' 0 CA--C 1.569 1.705 0 CA-C-O 117.431 -1.271 . . . . 0.0 112.193 176.203 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -52.44 -46.73 66.56 Favored 'General case' 0 N--CA 1.512 2.641 0 CA-C-N 120.363 1.438 . . . . 0.0 111.309 175.463 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.24 -56.01 27.57 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 124.627 1.171 . . . . 0.0 112.984 175.171 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.2 m . . . . . 0 N--CA 1.501 2.094 0 C-N-CA 124.714 1.206 . . . . 0.0 112.813 176.092 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.5 2.04 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 69.92 -45.08 0.57 Allowed 'General case' 0 N--CA 1.526 3.36 0 CA-C-N 121.527 1.967 . . . . 0.0 111.883 -174.407 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -62.35 -22.48 66.13 Favored 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 126.151 1.781 . . . . 0.0 113.814 177.148 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.7 tt -53.87 -39.75 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.668 0 CA-C-N 122.884 2.584 . . . . 0.0 109.294 172.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 107' ' ' LEU . . . . . 0.441 ' HA ' ' HE1' ' A' ' 162' ' ' PHE . 1.2 mm? -63.31 -48.31 78.6 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 179.199 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.06 -47.16 69.1 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 117.596 -1.192 . . . . 0.0 111.091 175.587 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.78 -43.95 97.4 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 120.819 1.645 . . . . 0.0 114.636 179.051 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 110' ' ' PHE . . . . . 0.478 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.5 t80 -69.69 -46.29 66.36 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 121.174 1.806 . . . . 0.0 111.482 177.259 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 111' ' ' LYS . . . . . . . . . . . . 0.275 10.6 tptp -70.08 -27.66 64.79 Favored 'General case' 0 CA--C 1.576 1.96 0 CA-C-N 120.684 1.584 . . . . 0.0 112.939 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 pp -77.73 -30.48 51.7 Favored 'General case' 0 CA--C 1.579 2.069 0 CA-C-N 122.533 2.424 . . . . 0.0 111.363 172.106 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.36 -49.11 77.21 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 175.534 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -94.69 68.23 3.35 Favored 'General case' 0 CA--C 1.596 2.712 0 O-C-N 123.679 0.612 . . . . 0.0 111.3 -177.748 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.75 -14.93 56.89 Favored 'General case' 0 CA--C 1.591 2.553 0 O-C-N 118.286 -2.759 . . . . 0.0 115.178 178.029 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -78.46 -16.08 57.95 Favored 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 121.955 2.161 . . . . 0.0 113.505 177.299 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 76.5 50.03 0.06 Allowed 'General case' 0 N--CA 1.508 2.426 0 CA-C-O 126.893 3.235 . . . . 0.0 114.816 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.8 p -107.65 -42.4 4.76 Favored 'General case' 0 CA--C 1.574 1.898 0 CA-C-N 109.422 -3.536 . . . . 0.0 109.692 177.202 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 69.7 52.37 20.7 Favored Glycine 0 N--CA 1.481 1.684 0 C-N-CA 126.22 1.867 . . . . 0.0 117.402 -179.688 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.03 113.07 6.12 Favored 'General case' 0 CA--C 1.562 1.437 0 CA-C-N 118.398 1.099 . . . . 0.0 109.429 179.209 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.2 mp -99.9 127.73 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.363 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 176.436 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.96 165.38 12.39 Favored 'General case' 0 CA--C 1.58 2.097 0 CA-C-N 111.765 -2.47 . . . . 0.0 107.052 177.742 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -41.99 -40.02 2.08 Favored 'General case' 0 N--CA 1.515 2.796 0 N-CA-C 118.167 2.654 . . . . 0.0 118.167 -178.65 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -61.74 -39.21 90.79 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 178.665 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -33.44 73.02 Favored 'General case' 0 CA--C 1.585 2.31 0 CA-C-O 117.465 -1.255 . . . . 0.0 109.109 175.767 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.4 mp -56.95 -39.23 74.18 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 122.268 2.304 . . . . 0.0 110.802 171.347 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -56.94 -46.33 82.15 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 123.868 0.867 . . . . 0.0 110.419 171.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -56.59 -53.92 51.98 Favored 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 119.197 0.908 . . . . 0.0 112.516 174.089 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 129' ' ' VAL . . . . . 0.471 HG22 HD22 ' A' ' 133' ' ' LEU 0.258 0.2 OUTLIER -58.93 -42.82 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.629 0 CA-C-O 117.078 -1.439 . . . . 0.0 111.687 178.421 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.24 -40.65 67.91 Favored 'General case' 0 CA--C 1.578 2.046 0 CA-C-N 120.496 1.498 . . . . 0.0 112.653 175.04 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -71.44 -46.47 59.96 Favored 'General case' 0 CA--C 1.576 1.949 0 CA-C-N 119.278 0.944 . . . . 0.0 111.62 173.434 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.93 -45.42 67.65 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 177.475 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 133' ' ' LEU . . . . . 0.471 HD22 HG22 ' A' ' 129' ' ' VAL 0.359 7.0 mp -70.4 -19.04 63.04 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 117.804 2.52 . . . . 0.0 117.804 175.26 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.57 -44.5 2.9 Favored Glycine 0 N--CA 1.486 2.03 0 CA-C-N 113.938 -1.483 . . . . 0.0 115.26 -179.775 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.02 93.72 8.66 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -85.0 -17.79 36.47 Favored 'General case' 0 CA--C 1.571 1.775 0 N-CA-C 118.036 2.606 . . . . 0.0 118.036 -178.178 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.294 0.0 OUTLIER 46.43 -116.61 0.67 Allowed 'General case' 0 N--CA 1.505 2.275 0 C-N-CA 126.034 1.734 . . . . 0.0 112.002 -177.931 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.8 t -151.19 165.5 33.75 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 122.668 2.486 . . . . 0.0 109.74 178.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -42.6 -49.12 5.51 Favored 'General case' 0 CA--C 1.57 1.743 0 CA-C-N 111.305 -2.68 . . . . 0.0 116.997 176.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.88 -44.23 97.23 Favored 'General case' 0 CA--C 1.573 1.854 0 C-N-CA 126.278 1.831 . . . . 0.0 112.226 177.628 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.87 -52.88 63.4 Favored 'General case' 0 N--CA 1.507 2.382 0 CA-C-N 119.388 0.994 . . . . 0.0 110.98 175.001 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.85 -36.68 74.97 Favored 'General case' 0 CA--C 1.574 1.874 0 O-C-N 121.205 -0.935 . . . . 0.0 113.049 175.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 143' ' ' GLN . . . . . 0.511 HE22 HG21 ' A' ' 146' ' ' ILE . 0.7 OUTLIER -69.54 -37.24 76.99 Favored 'General case' 0 CA--C 1.566 1.574 0 CA-C-N 119.455 1.025 . . . . 0.0 111.558 178.154 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -60.24 -40.32 89.82 Favored 'General case' 0 CA--C 1.587 2.395 0 CA-C-N 120.007 1.276 . . . . 0.0 109.726 173.328 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.7 mmm -59.28 -44.22 92.47 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.399 -0.813 . . . . 0.0 111.658 173.225 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 146' ' ' ILE . . . . . 0.511 HG21 HE22 ' A' ' 143' ' ' GLN . 2.8 mm -58.41 -59.78 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 C-N-CA 124.733 1.213 . . . . 0.0 110.769 174.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.54 -31.93 57.3 Favored 'General case' 0 N--CA 1.505 2.323 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -179.276 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.23 -36.69 61.31 Favored 'General case' 0 CA--C 1.599 2.86 0 CA-C-N 121.004 1.729 . . . . 0.0 111.905 172.368 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -75.01 -28.13 60.39 Favored 'General case' 0 CA--C 1.579 2.073 0 N-CA-C 117.767 2.506 . . . . 0.0 117.767 176.372 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.88 32.87 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.642 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 -178.201 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -27.76 61.33 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 119.863 3.282 . . . . 0.0 119.863 -173.43 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.55 -29.88 66.45 Favored 'General case' 0 CA--C 1.584 2.252 0 CA-C-O 116.021 -1.942 . . . . 0.0 111.875 175.192 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 143.61 -30.37 1.96 Allowed Glycine 0 N--CA 1.498 2.775 1 N-CA-C 126.657 5.423 . . . . 0.0 126.657 175.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -103.56 16.27 26.87 Favored 'General case' 0 CA--C 1.586 2.331 0 CA-C-N 121.308 2.554 . . . . 0.0 116.097 -176.501 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 84.69 18.49 61.65 Favored Glycine 0 N--CA 1.508 3.473 0 CA-C-N 125.208 3.64 . . . . 0.0 118.951 -179.611 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 156' ' ' GLU . . . . . . . . . . . . 0.27 6.8 pt-20 -147.26 156.99 43.42 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 125.031 1.332 . . . . 0.0 107.831 178.631 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.78 121.03 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 120.0 -1.688 . . . . 0.0 109.554 -173.757 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 85.4 p -99.96 173.13 6.8 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 124.991 1.316 . . . . 0.0 111.467 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -57.53 -46.75 83.48 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -178.182 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -30.11 71.08 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-N 121.159 1.799 . . . . 0.0 112.372 177.696 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -78.21 -23.28 47.56 Favored 'General case' 0 CA--C 1.589 2.446 0 CA-C-N 122.123 2.238 . . . . 0.0 111.725 173.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 162' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -61.85 -56.75 16.12 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 126.793 2.037 . . . . 0.0 108.803 173.686 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 163' ' ' LEU . . . . . 0.454 HD22 ' H ' ' A' ' 164' ' ' ARG . 0.0 OUTLIER -80.12 -60.06 2.48 Favored 'General case' 0 CA--C 1.589 2.449 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 176.357 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 164' ' ' ARG . . . . . 0.454 ' H ' HD22 ' A' ' 163' ' ' LEU . 1.4 tmm_? -80.2 -23.38 41.01 Favored 'General case' 0 CA--C 1.573 1.86 1 N-CA-C 122.082 4.105 . . . . 0.0 122.082 -177.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild core ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.254 8.0 tp . . . . . 0 N--CA 1.526 3.357 0 CA-C-N 122.374 2.352 . . . . 0.0 116.979 -174.798 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 19.4 m-85 . . . . . 0 CA--C 1.575 1.94 0 CA-C-O 117.587 -1.197 . . . . 0.0 114.066 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -67.34 -48.27 59.08 Favored Glycine 0 N--CA 1.496 2.66 0 CA-C-N 121.602 2.001 . . . . 0.0 115.443 179.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -65.83 -42.03 91.06 Favored 'General case' 0 CA--C 1.575 1.935 0 CA-C-O 117.652 -1.166 . . . . 0.0 110.122 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.5 t80 -57.41 -43.74 84.01 Favored 'General case' 0 N--CA 1.506 2.361 0 CA-C-N 121.024 1.738 . . . . 0.0 110.275 174.219 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.3 tt -58.21 -56.76 17.87 Favored 'General case' 0 N--CA 1.49 1.547 0 O-C-N 120.924 -1.11 . . . . 0.0 112.826 176.013 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.7 m -57.03 -39.01 74.0 Favored 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 113.681 0.993 . . . . 0.0 113.681 176.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -63.43 -48.24 88.06 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.725 0 C-N-CA 124.986 1.315 . . . . 0.0 112.084 175.51 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.491 ' HG2' HD12 ' A' ' 133' ' ' LEU . 11.6 tpp -68.64 -39.35 80.79 Favored 'General case' 0 N--CA 1.484 1.24 0 N-CA-C 114.212 1.19 . . . . 0.0 114.212 178.988 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.6 p -76.72 -35.78 57.61 Favored 'General case' 0 N--CA 1.489 1.514 0 CA-C-O 117.547 -1.216 . . . . 0.0 111.026 176.205 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.0 tt0 72.45 2.67 4.43 Favored 'General case' 0 CA--C 1.581 2.157 0 CA-C-N 120.705 1.593 . . . . 0.0 114.422 -177.251 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 13.0 mptt -105.44 100.58 10.15 Favored 'General case' 0 N--CA 1.489 1.493 0 O-C-N 120.207 -1.558 . . . . 0.0 107.241 -179.238 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 1.2 mpt? -78.37 58.2 2.08 Favored 'General case' 0 N--CA 1.501 2.079 0 N-CA-C 114.976 1.472 . . . . 0.0 114.976 -178.674 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 41.5 m 168.16 89.77 0.0 OUTLIER 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 103.249 -2.871 . . . . 0.0 103.249 179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 25.3 tt0 -134.62 -79.19 0.45 Allowed 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 113.023 0.749 . . . . 0.0 113.023 -177.099 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.32 162.18 39.13 Favored 'General case' 0 N--CA 1.496 1.86 0 CA-C-N 120.698 1.59 . . . . 0.0 114.187 -179.492 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 59.52 169.36 0.07 Allowed 'General case' 0 CA--C 1.583 2.218 0 N-CA-C 118.565 2.802 . . . . 0.0 118.565 176.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.4 t -171.6 100.39 0.19 Allowed 'General case' 0 N--CA 1.499 1.979 1 N-CA-C 99.691 -4.188 . . . . 0.0 99.691 179.01 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 77.27 172.5 0.21 Allowed 'General case' 0 N--CA 1.513 2.687 0 N-CA-C 107.555 -1.276 . . . . 0.0 107.555 -171.214 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.2 tt0 71.94 -50.85 0.7 Allowed 'General case' 0 N--CA 1.527 3.414 0 O-C-N 118.107 -2.871 . . . . 0.0 112.131 -177.213 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 7.0 tm-20 -51.53 -38.99 56.79 Favored 'General case' 0 N--CA 1.482 1.175 0 C-N-CA 126.957 2.103 . . . . 0.0 112.022 175.044 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.8 tt -57.71 -43.58 84.04 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.375 0 CA-C-N 122.119 2.236 . . . . 0.0 111.532 175.266 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.524 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 15.6 mt -72.43 -44.64 62.14 Favored 'General case' 0 CA--C 1.563 1.461 0 N-CA-C 112.828 0.677 . . . . 0.0 112.828 178.774 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 29.8 mtpt -67.79 -41.29 83.43 Favored 'General case' 0 CA--C 1.565 1.524 0 CA-C-O 117.794 -1.098 . . . . 0.0 112.996 176.285 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.82 -43.85 74.73 Favored 'General case' 0 CA--C 1.553 1.088 0 CA-C-N 121.088 1.767 . . . . 0.0 112.432 177.655 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.448 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.2 t80 -67.31 -46.16 74.37 Favored 'General case' 0 N--CA 1.482 1.15 0 CA-C-N 121.19 1.814 . . . . 0.0 111.71 177.724 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . 0.25 8.6 tptt -64.49 -32.27 73.83 Favored 'General case' 0 CA--C 1.573 1.855 0 CA-C-O 116.987 -1.482 . . . . 0.0 112.572 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 37.0 mt -77.25 -19.91 55.93 Favored 'General case' 0 CA--C 1.592 2.571 0 CA-C-N 122.25 2.296 . . . . 0.0 111.287 171.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -71.7 -45.77 60.81 Favored 'General case' 0 CA--C 1.571 1.781 0 CA-C-N 121.218 1.826 . . . . 0.0 112.633 173.607 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -80.95 67.7 6.95 Favored 'General case' 0 CA--C 1.592 2.569 0 CA-C-N 119.338 0.972 . . . . 0.0 113.161 -179.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.3 p-10 -43.46 -21.61 0.03 OUTLIER 'General case' 0 N--CA 1.519 2.98 0 N-CA-C 117.193 2.294 . . . . 0.0 117.193 174.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 37.1 m-20 -85.98 -2.83 58.67 Favored 'General case' 0 CA--C 1.585 2.324 0 CA-C-N 120.804 1.638 . . . . 0.0 112.215 176.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 69.87 -0.48 2.69 Favored 'General case' 0 N--CA 1.502 2.174 0 N-CA-C 117.904 2.557 . . . . 0.0 117.904 177.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 27.6 p -70.14 -40.08 75.01 Favored 'General case' 0 N--CA 1.49 1.531 0 C-N-CA 125.774 1.629 . . . . 0.0 112.481 178.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 88.26 57.6 1.87 Allowed Glycine 0 CA--C 1.538 1.478 0 N-CA-C 116.664 1.426 . . . . 0.0 116.664 179.576 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 14.2 mmmt -148.17 109.87 4.46 Favored 'General case' 0 CA--C 1.569 1.69 0 N-CA-C 107.682 -1.229 . . . . 0.0 107.682 179.058 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.2 mp -101.47 124.81 55.46 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.625 0 CA-C-N 121.063 1.756 . . . . 0.0 106.533 176.143 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 62.4 p -104.44 166.64 10.26 Favored 'General case' 0 CA--C 1.587 2.395 0 CA-C-N 113.274 -1.785 . . . . 0.0 107.704 174.648 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 40.8 t80 -54.45 -35.31 62.87 Favored 'General case' 0 N--CA 1.511 2.613 0 O-C-N 119.947 -1.721 . . . . 0.0 115.136 178.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 5.6 tptm -62.52 -42.03 99.24 Favored 'General case' 0 CA--C 1.583 2.231 0 O-C-N 120.951 -1.093 . . . . 0.0 111.832 177.112 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -65.22 -35.66 81.75 Favored 'General case' 0 CA--C 1.579 2.061 0 O-C-N 120.609 -1.307 . . . . 0.0 109.565 174.792 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.19 -42.64 69.95 Favored 'General case' 0 N--CA 1.502 2.126 0 CA-C-N 120.77 1.623 . . . . 0.0 110.272 172.606 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -57.27 -49.76 75.03 Favored 'General case' 0 N--CA 1.502 2.169 0 CA-C-N 119.325 0.966 . . . . 0.0 111.114 174.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 69.0 mtm180 -52.97 -51.43 61.55 Favored 'General case' 0 N--CA 1.507 2.409 0 N-CA-C 113.159 0.8 . . . . 0.0 113.159 176.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 4.0 t -73.26 -34.35 43.9 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.954 0 CA-C-O 117.881 -1.057 . . . . 0.0 112.29 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.15 -44.17 83.18 Favored 'General case' 0 CA--C 1.572 1.815 0 CA-C-N 121.09 1.768 . . . . 0.0 112.292 173.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 59.4 mtpt -70.68 -46.28 63.47 Favored 'General case' 0 CA--C 1.574 1.875 0 N-CA-C 113.659 0.985 . . . . 0.0 113.659 175.693 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 23.1 tt0 -74.04 -19.99 60.45 Favored 'General case' 0 CA--C 1.57 1.722 0 N-CA-C 119.103 3.001 . . . . 0.0 119.103 -178.055 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.491 HD12 ' HG2' ' A' ' 93' ' ' MET . 12.3 mt -68.99 -73.82 0.14 Allowed 'General case' 0 N--CA 1.484 1.248 0 CA-C-N 120.656 1.571 . . . . 0.0 113.244 179.369 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -170.71 -45.52 0.03 OUTLIER Glycine 0 N--CA 1.49 2.289 0 N-CA-C 117.38 1.712 . . . . 0.0 117.38 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.8 mp0 -132.96 99.24 4.52 Favored 'General case' 0 N--CA 1.491 1.61 0 CA-C-N 119.23 1.515 . . . . 0.0 107.775 -178.208 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 33.5 t30 -64.48 146.75 54.07 Favored 'General case' 0 CA--C 1.574 1.876 0 N-CA-C 117.104 2.261 . . . . 0.0 117.104 -177.485 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.406 HD23 ' HG3' ' A' ' 141' ' ' GLU . 6.5 mp -105.73 178.77 4.46 Favored 'General case' 0 CA--C 1.569 1.698 0 C-N-CA 124.799 1.24 . . . . 0.0 112.873 179.506 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 15.0 t -97.83 158.45 15.51 Favored 'General case' 0 N--CA 1.491 1.595 0 O-C-N 121.362 -0.836 . . . . 0.0 110.008 178.005 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -50.22 -46.62 54.79 Favored 'General case' 0 N--CA 1.512 2.668 0 N-CA-C 114.45 1.278 . . . . 0.0 114.45 -177.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.03 -46.3 89.78 Favored 'General case' 0 CA--C 1.578 2.02 0 C-N-CA 124.839 1.256 . . . . 0.0 114.118 177.861 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.406 ' HG3' HD23 ' A' ' 137' ' ' LEU 0.261 13.5 tp10 -60.21 -48.64 80.87 Favored 'General case' 0 CA--C 1.585 2.294 0 C-N-CA 124.836 1.254 . . . . 0.0 111.564 176.865 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 16.0 mt -56.29 -36.15 68.32 Favored 'General case' 0 CA--C 1.583 2.233 0 O-C-N 120.104 -1.623 . . . . 0.0 111.082 172.231 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.438 HE22 HG21 ' A' ' 146' ' ' ILE . 0.7 OUTLIER -67.79 -36.85 81.17 Favored 'General case' 0 C--N 1.372 1.565 0 CA-C-O 117.796 -1.097 . . . . 0.0 111.003 178.172 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 10.3 tp10 -59.66 -40.2 86.98 Favored 'General case' 0 CA--C 1.587 2.401 0 CA-C-N 120.438 1.472 . . . . 0.0 109.748 172.098 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -59.79 -41.48 91.25 Favored 'General case' 0 CA--C 1.588 2.438 0 O-C-N 121.136 -0.977 . . . . 0.0 111.419 173.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.438 HG21 HE22 ' A' ' 143' ' ' GLN . 8.4 mm -60.26 -53.56 47.1 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.688 0 C-N-CA 124.943 1.297 . . . . 0.0 109.644 173.004 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 15.0 t0 -53.97 -48.05 70.73 Favored 'General case' 0 N--CA 1.497 1.886 0 CA-C-O 117.477 -1.249 . . . . 0.0 111.97 179.486 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 15.3 pt-20 -59.84 -38.98 83.62 Favored 'General case' 0 N--CA 1.514 2.757 0 CA-C-N 121.175 1.807 . . . . 0.0 113.808 174.849 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.86 -26.85 54.72 Favored 'General case' 0 CA--C 1.573 1.86 0 N-CA-C 118.97 2.952 . . . . 0.0 118.97 177.413 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.261 34.4 t70 -97.19 27.05 4.33 Favored 'General case' 0 CA--C 1.583 2.243 0 N-CA-C 117.963 2.579 . . . . 0.0 117.963 -177.524 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -56.85 -27.13 59.87 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 118.988 2.959 . . . . 0.0 118.988 -176.798 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 34.9 t0 -123.25 44.81 2.58 Favored 'General case' 0 CA--C 1.588 2.412 0 C-N-CA 125.756 1.622 . . . . 0.0 107.756 176.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -143.32 -153.3 5.84 Favored Glycine 0 CA--C 1.574 3.741 0 CA-C-N 121.842 2.11 . . . . 0.0 113.989 -178.628 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 27.0 m-20 -128.88 24.45 5.67 Favored 'General case' 0 CA--C 1.602 2.945 0 O-C-N 120.622 -1.516 . . . . 0.0 114.031 -177.331 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 107.17 17.64 11.34 Favored Glycine 0 CA--C 1.569 3.422 0 O-C-N 117.957 -2.964 . . . . 0.0 115.136 -176.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.1 pt-20 -160.06 151.33 19.49 Favored 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 127.2 2.2 . . . . 0.0 106.738 -177.853 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 4.3 t -99.75 116.24 42.54 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.876 0 O-C-N 119.35 -2.094 . . . . 0.0 107.617 -176.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 6.1 p -101.35 -179.97 4.19 Favored 'General case' 0 CA--C 1.571 1.787 0 CA-C-O 124.55 2.119 . . . . 0.0 111.713 179.451 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -45.32 -48.19 13.17 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 112.78 -2.009 . . . . 0.0 113.772 175.765 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 3.1 pt20 -57.24 -43.62 83.11 Favored 'General case' 0 CA--C 1.568 1.639 0 O-C-N 119.796 -1.815 . . . . 0.0 114.255 177.249 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.256 15.8 mt-10 -75.79 -19.92 58.61 Favored 'General case' 0 N--CA 1.508 2.435 0 CA-C-N 120.279 1.4 . . . . 0.0 113.583 175.207 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.524 ' CE1' ' HA ' ' A' ' 107' ' ' LEU . 23.7 t80 -73.08 -48.23 37.65 Favored 'General case' 0 CA--C 1.571 1.761 0 C-N-CA 125.419 1.488 . . . . 0.0 111.975 173.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.9 mt -80.07 -20.94 44.02 Favored 'General case' 0 CA--C 1.572 1.821 0 C-N-CA 125.504 1.522 . . . . 0.0 114.072 179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -49.41 -19.99 0.62 Allowed 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 116.596 2.073 . . . . 0.0 116.596 176.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.9 tp . . . . . 0 N--CA 1.501 2.097 0 N-CA-C 116.147 1.906 . . . . 0.0 116.147 176.893 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 54.2 m-85 . . . . . 0 N--CA 1.498 1.95 1 N-CA-C 122.365 4.209 . . . . 0.0 122.365 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -42.81 -50.35 5.98 Favored Glycine 0 N--CA 1.509 3.507 0 CA-C-N 122.154 2.252 . . . . 0.0 117.41 179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 40.1 p-10 -61.96 -48.1 81.92 Favored 'General case' 0 CA--C 1.575 1.91 0 C-N-CA 124.724 1.21 . . . . 0.0 113.181 175.134 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.0 t80 -56.16 -42.87 77.72 Favored 'General case' 0 N--CA 1.503 2.177 0 C-N-CA 124.83 1.252 . . . . 0.0 111.335 174.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.7 mt -60.67 -53.85 52.38 Favored 'General case' 0 CA--C 1.566 1.559 0 C-N-CA 124.72 1.208 . . . . 0.0 110.808 175.672 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.5 m -55.99 -41.39 74.75 Favored 'General case' 0 N--CA 1.506 2.341 0 N-CA-C 113.082 0.771 . . . . 0.0 113.082 176.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -62.48 -45.35 99.0 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.136 0 C-N-CA 125.101 1.36 . . . . 0.0 112.503 174.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.476 ' SD ' ' O ' ' A' ' 135' ' ' GLU . 32.1 tpp -72.44 -36.6 68.58 Favored 'General case' 0 CA--C 1.563 1.471 0 N-CA-C 115.967 1.84 . . . . 0.0 115.967 178.866 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 42.1 p -79.35 -60.31 2.42 Favored 'General case' 0 N--CA 1.481 1.106 0 CA-C-O 115.129 -2.367 . . . . 0.0 104.924 177.203 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 12.5 tt0 57.83 -37.43 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.155 0 N-CA-C 117.846 2.536 . . . . 0.0 117.846 177.805 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 17.0 pttm -165.91 144.28 5.84 Favored 'General case' 0 CA--C 1.569 1.699 0 C-N-CA 126.07 1.748 . . . . 0.0 113.093 -176.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 65.5 mtm 63.11 -46.01 0.21 Allowed 'General case' 0 N--CA 1.507 2.398 0 N-CA-C 120.704 3.594 . . . . 0.0 120.704 176.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.8 t -64.49 -71.67 0.17 Allowed 'General case' 0 N--CA 1.498 1.961 0 CA-C-N 121.182 1.81 . . . . 0.0 114.635 -178.35 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.6 tm-20 -148.17 166.22 28.55 Favored 'General case' 0 CA--C 1.576 1.943 0 CA-C-O 122.239 1.018 . . . . 0.0 111.105 177.345 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -146.01 68.05 1.2 Allowed 'General case' 0 N--CA 1.494 1.762 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -175.79 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -143.85 159.27 42.83 Favored 'General case' 0 N--CA 1.501 2.111 0 O-C-N 119.435 -2.04 . . . . 0.0 115.399 -179.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 36.3 m -149.75 120.37 7.49 Favored 'General case' 0 N--CA 1.497 1.915 0 N-CA-C 106.239 -1.763 . . . . 0.0 106.239 178.763 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 99.53 152.93 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.625 0 C-N-CA 128.806 2.842 . . . . 0.0 109.047 -176.367 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 68.19 -59.12 0.44 Allowed 'General case' 0 N--CA 1.534 3.755 0 CA-C-N 124.039 3.109 . . . . 0.0 110.678 -175.143 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.01 -30.27 34.27 Favored 'General case' 0 CA--C 1.557 1.25 0 C-N-CA 126.91 2.084 . . . . 0.0 113.887 174.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.1 tt -58.95 -43.76 89.45 Favored 'Isoleucine or valine' 0 CA--C 1.57 1.731 0 CA-C-N 120.662 1.574 . . . . 0.0 110.863 176.216 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.452 HD13 ' CZ ' ' A' ' 162' ' ' PHE . 1.2 mm? -70.67 -45.07 65.74 Favored 'General case' 0 N--CA 1.483 1.21 0 CA-C-O 118.549 -0.739 . . . . 0.0 112.565 177.09 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 15.2 mtmm -65.63 -49.81 67.31 Favored 'General case' 0 CA--C 1.559 1.319 0 CA-C-O 117.393 -1.289 . . . . 0.0 112.255 175.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.13 -42.72 99.55 Favored 'General case' 0 N--CA 1.481 1.076 0 CA-C-N 121.058 1.754 . . . . 0.0 114.38 179.803 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.512 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 18.3 t80 -71.32 -42.06 69.09 Favored 'General case' 0 N--CA 1.484 1.228 0 CA-C-N 121.156 1.798 . . . . 0.0 112.548 177.279 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 24.3 mmmt -68.06 -34.18 75.95 Favored 'General case' 0 CA--C 1.581 2.168 0 CA-C-O 116.485 -1.722 . . . . 0.0 111.622 179.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.0 pp -74.94 -30.68 61.3 Favored 'General case' 0 N--CA 1.493 1.702 0 CA-C-N 122.908 2.595 . . . . 0.0 112.56 173.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.553 ' CE1' HG11 ' A' ' 129' ' ' VAL . 1.8 m-30 -55.81 -47.4 77.23 Favored 'General case' 0 N--CA 1.487 1.386 0 CA-C-N 119.419 1.008 . . . . 0.0 112.761 173.42 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -79.26 79.17 5.71 Favored 'General case' 0 CA--C 1.592 2.595 0 CA-C-O 118.478 -0.772 . . . . 0.0 109.925 -178.864 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -42.14 -21.01 0.02 OUTLIER 'General case' 0 N--CA 1.517 2.925 0 N-CA-C 117.54 2.422 . . . . 0.0 117.54 175.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -92.06 -4.77 53.98 Favored 'General case' 0 CA--C 1.59 2.492 0 CA-C-N 120.654 1.57 . . . . 0.0 112.635 176.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 67.92 2.78 3.25 Favored 'General case' 0 N--CA 1.505 2.318 0 N-CA-C 117.657 2.466 . . . . 0.0 117.657 179.4 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . 0.4 ' CB ' ' HZ1' ' A' ' 120' ' ' LYS . 64.6 p -72.14 -52.76 15.16 Favored 'General case' 0 CA--C 1.566 1.571 0 C-N-CA 126.828 2.051 . . . . 0.0 110.068 176.707 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 107.32 57.09 0.6 Allowed Glycine 0 CA--C 1.539 1.574 0 N-CA-C 118.884 2.314 . . . . 0.0 118.884 179.049 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . 0.4 ' HZ1' ' CB ' ' A' ' 118' ' ' THR . 0.1 OUTLIER -137.71 109.97 7.35 Favored 'General case' 0 N--CA 1.497 1.9 0 CA-C-N 120.099 1.95 . . . . 0.0 109.842 174.53 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.9 mp -103.35 119.91 52.57 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.19 0 O-C-N 121.258 -0.901 . . . . 0.0 109.166 178.21 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 6.4 t -100.3 170.48 8.4 Favored 'General case' 0 CA--C 1.59 2.484 0 N-CA-C 106.297 -1.742 . . . . 0.0 106.297 172.604 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 70.7 t80 -44.0 -38.0 3.27 Favored 'General case' 0 N--CA 1.513 2.707 0 N-CA-C 117.836 2.532 . . . . 0.0 117.836 -179.689 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 27.8 ttpp -56.93 -46.83 81.77 Favored 'General case' 0 CA--C 1.574 1.884 0 N-CA-C 114.387 1.254 . . . . 0.0 114.387 178.661 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.304 5.8 t-20 -66.35 -42.03 88.66 Favored 'General case' 0 N--CA 1.51 2.532 0 CA-C-O 114.794 -2.527 . . . . 0.0 108.575 177.036 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.419 ' HA ' HG13 ' A' ' 129' ' ' VAL . 4.8 mp -51.56 -38.68 55.47 Favored 'General case' 0 N--CA 1.502 2.152 0 CA-C-N 123.279 2.763 . . . . 0.0 113.329 174.067 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.345 12.1 ptmt -72.84 -36.9 67.55 Favored 'General case' 0 CA--C 1.589 2.457 0 CA-C-O 115.932 -1.985 . . . . 0.0 110.794 176.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.8 ptm180 -61.43 -44.88 96.35 Favored 'General case' 0 N--CA 1.517 2.912 0 CA-C-N 124.046 3.112 . . . . 0.0 111.876 173.894 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.553 HG11 ' CE1' ' A' ' 113' ' ' PHE . 0.2 OUTLIER -59.73 -44.29 93.43 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.622 0 C-N-CA 123.558 0.743 . . . . 0.0 111.325 177.374 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.39 -44.15 75.85 Favored 'General case' 0 CA--C 1.563 1.448 0 N-CA-C 113.727 1.01 . . . . 0.0 113.727 176.068 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -73.69 -32.26 63.84 Favored 'General case' 0 CA--C 1.585 2.308 0 CA-C-N 120.355 1.434 . . . . 0.0 113.993 174.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.5 tt0 -80.11 -34.38 37.91 Favored 'General case' 0 N--CA 1.492 1.673 0 N-CA-C 119.173 3.027 . . . . 0.0 119.173 -178.278 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.408 HD12 ' HG2' ' A' ' 93' ' ' MET . 15.1 mt -61.68 -67.56 0.4 Allowed 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 116.286 1.958 . . . . 0.0 116.286 -178.978 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -170.99 -39.37 0.03 OUTLIER Glycine 0 N--CA 1.489 2.232 0 N-CA-C 119.185 2.434 . . . . 0.0 119.185 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.476 ' O ' ' SD ' ' A' ' 93' ' ' MET . 30.5 tt0 -147.78 98.68 3.0 Favored 'General case' 0 N--CA 1.497 1.91 0 CA-C-N 120.593 2.197 . . . . 0.0 110.639 -178.151 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 21.4 t-20 -67.18 131.36 45.64 Favored 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 115.461 1.652 . . . . 0.0 115.461 -178.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.5 mm? -90.83 -115.13 0.08 Allowed 'General case' 0 CA--C 1.574 1.883 0 N-CA-C 109.238 -0.653 . . . . 0.0 109.238 178.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.5 t -154.85 165.52 36.38 Favored 'General case' 0 CA--C 1.559 1.291 0 CA-C-O 124.05 1.881 . . . . 0.0 108.302 178.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.0 p-10 -40.56 -51.07 2.98 Favored 'General case' 0 CA--C 1.569 1.679 0 N-CA-C 117.052 2.242 . . . . 0.0 117.052 176.567 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -63.4 -42.54 98.78 Favored 'General case' 0 CA--C 1.569 1.708 0 C-N-CA 125.258 1.423 . . . . 0.0 113.317 178.155 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.4 mm-40 -59.6 -51.76 68.43 Favored 'General case' 0 N--CA 1.505 2.295 0 CA-C-N 119.05 0.841 . . . . 0.0 110.85 175.137 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 13.0 mt -57.83 -37.23 73.44 Favored 'General case' 0 CA--C 1.568 1.642 0 O-C-N 121.143 -0.973 . . . . 0.0 113.231 175.462 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.472 HE21 HG21 ' A' ' 146' ' ' ILE . 24.1 tp60 -71.28 -37.35 71.89 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 118.001 -0.999 . . . . 0.0 111.356 -179.524 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 21.3 mm-40 -60.7 -40.63 92.93 Favored 'General case' 0 CA--C 1.585 2.292 0 CA-C-N 119.665 1.12 . . . . 0.0 109.552 173.324 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.5 mmm -62.35 -40.41 96.29 Favored 'General case' 0 CA--C 1.582 2.184 0 O-C-N 121.17 -0.956 . . . . 0.0 111.494 173.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.472 HG21 HE21 ' A' ' 143' ' ' GLN . 1.1 mm -59.23 -55.02 26.36 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.841 0 C-N-CA 124.455 1.102 . . . . 0.0 109.654 174.159 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.8 t70 -53.4 -42.31 66.84 Favored 'General case' 0 N--CA 1.501 2.082 0 N-CA-C 113.214 0.82 . . . . 0.0 113.214 -179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -73.19 -27.28 61.54 Favored 'General case' 0 CA--C 1.595 2.71 0 N-CA-C 114.657 1.354 . . . . 0.0 114.657 175.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.06 -44.38 20.16 Favored 'General case' 0 CA--C 1.58 2.107 0 C-N-CA 126.299 1.84 . . . . 0.0 115.51 175.466 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 26.7 t0 -67.95 60.83 0.07 Allowed 'General case' 0 CA--C 1.594 2.66 0 C-N-CA 127.515 2.326 . . . . 0.0 114.102 -178.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.93 -25.82 63.82 Favored 'General case' 0 N--CA 1.498 1.953 0 O-C-N 117.778 -3.076 . . . . 0.0 118.359 -176.622 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 8.5 t70 -73.47 -35.29 65.67 Favored 'General case' 0 CA--C 1.59 2.497 0 CA-C-N 119.424 1.011 . . . . 0.0 110.531 173.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 106.75 3.66 36.9 Favored Glycine 0 N--CA 1.495 2.591 1 N-CA-C 123.775 4.27 . . . . 0.0 123.775 176.397 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 65.2 m-20 -89.43 -26.26 21.08 Favored 'General case' 0 N--CA 1.504 2.261 0 CA-C-N 122.347 3.074 . . . . 0.0 114.966 178.433 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 127.47 28.28 0.91 Allowed Glycine 0 CA--C 1.551 2.314 0 N-CA-C 117.091 1.596 . . . . 0.0 117.091 -179.773 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -160.04 149.7 18.0 Favored 'General case' 0 CA--C 1.568 1.645 0 CA-C-N 119.154 1.477 . . . . 0.0 111.228 -179.612 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 6.6 t -99.78 122.89 52.17 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.103 0 N-CA-C 106.205 -1.776 . . . . 0.0 106.205 -177.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 62.8 m -99.89 171.04 8.11 Favored 'General case' 0 CA--C 1.561 1.369 0 N-CA-C 113.698 0.999 . . . . 0.0 113.698 -177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.305 0.0 OUTLIER -55.85 -45.37 78.48 Favored 'General case' 0 N--CA 1.497 1.913 0 CA-C-O 116.023 -1.942 . . . . 0.0 113.357 179.261 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.467 ' HA ' HD11 ' A' ' 163' ' ' LEU . 7.0 mm100 -62.89 -35.64 80.7 Favored 'General case' 0 CA--C 1.579 2.08 0 CA-C-N 123.211 2.732 . . . . 0.0 112.666 176.542 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.22 -22.79 59.21 Favored 'General case' 0 N--CA 1.506 2.361 0 CA-C-N 120.966 1.712 . . . . 0.0 112.458 174.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.512 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.2 OUTLIER -69.9 -59.06 3.16 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.431 1.493 . . . . 0.0 112.83 176.671 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.467 HD11 ' HA ' ' A' ' 160' ' ' GLN . 0.4 OUTLIER -80.08 -40.33 27.83 Favored 'General case' 0 CA--C 1.574 1.879 0 CA-C-O 117.928 -1.034 . . . . 0.0 112.864 -179.03 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -80.1 -19.89 46.34 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 117.258 2.318 . . . . 0.0 117.258 178.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.4 tp . . . . . 0 N--CA 1.514 2.752 0 C-N-CA 127.635 2.374 . . . . 0.0 117.081 -177.808 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 m-85 . . . . . 0 N--CA 1.515 2.805 0 N-CA-C 119.251 3.056 . . . . 0.0 119.251 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.04 -39.73 26.85 Favored Glycine 0 N--CA 1.495 2.628 0 C-N-CA 125.331 1.443 . . . . 0.0 115.645 177.412 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -56.37 -47.05 79.67 Favored 'General case' 0 CA--C 1.577 1.998 0 C-N-CA 125.101 1.361 . . . . 0.0 112.332 173.835 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -63.94 -45.82 87.46 Favored 'General case' 0 CA--C 1.583 2.227 0 CA-C-N 119.439 1.018 . . . . 0.0 110.565 174.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 47.0 tp -60.33 -51.65 68.61 Favored 'General case' 0 N--CA 1.49 1.55 0 O-C-N 120.614 -1.304 . . . . 0.0 111.717 176.206 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.639 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 3.8 m -54.62 -38.01 66.3 Favored 'General case' 0 N--CA 1.499 2.022 0 C-N-CA 124.067 0.947 . . . . 0.0 113.468 176.73 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.11 -49.15 85.17 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.708 0 C-N-CA 124.445 1.098 . . . . 0.0 110.671 175.206 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.442 ' SD ' HD13 ' A' ' 137' ' ' LEU . 0.0 OUTLIER -65.28 -45.96 82.34 Favored 'General case' 0 CA--C 1.582 2.207 0 CA-C-N 118.32 0.509 . . . . 0.0 111.227 173.947 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.639 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 66.8 p -51.21 -50.92 58.16 Favored 'General case' 0 N--CA 1.511 2.622 0 C-N-CA 124.944 1.298 . . . . 0.0 112.856 176.097 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.3 tp60 -62.36 -31.61 72.28 Favored 'General case' 0 CA--C 1.57 1.734 0 N-CA-C 116.562 2.06 . . . . 0.0 116.562 178.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.5 mptp? -76.78 -50.12 14.29 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 120.319 1.418 . . . . 0.0 112.939 178.192 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.9 ttt -98.19 -111.92 0.16 Allowed 'General case' 0 CA--C 1.57 1.74 0 CA-C-N 120.228 1.376 . . . . 0.0 107.436 177.752 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 t -158.77 62.54 0.42 Allowed 'General case' 0 N--CA 1.496 1.858 0 CA-C-N 121.356 1.889 . . . . 0.0 110.2 178.466 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.4 mm-40 -101.72 162.54 12.83 Favored 'General case' 0 N--CA 1.492 1.666 0 CA-C-O 122.295 1.045 . . . . 0.0 112.127 -177.609 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 17.8 pttp -111.67 -170.19 1.6 Allowed 'General case' 0 CA--C 1.58 2.11 0 N-CA-C 116.1 1.889 . . . . 0.0 116.1 -177.863 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 72.83 145.79 0.08 Allowed 'General case' 0 N--CA 1.499 1.981 0 N-CA-C 117.787 2.514 . . . . 0.0 117.787 175.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.6 t -171.41 129.4 0.7 Allowed 'General case' 0 N--CA 1.502 2.13 0 C-N-CA 125.664 1.586 . . . . 0.0 106.978 179.287 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 72.32 151.99 0.12 Allowed 'General case' 0 CA--C 1.597 2.769 0 C-N-CA 125.975 1.71 . . . . 0.0 110.858 -176.124 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 40.9 mt-10 66.87 -50.65 0.47 Allowed 'General case' 0 N--CA 1.539 3.988 0 CA-C-N 124.118 3.145 . . . . 0.0 111.311 -173.638 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.4 pp20? -54.36 -28.6 44.14 Favored 'General case' 0 N--CA 1.481 1.095 0 C-N-CA 127.436 2.295 . . . . 0.0 113.139 173.162 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 16.6 tt -54.43 -40.8 50.62 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.961 0 CA-C-N 121.755 2.07 . . . . 0.0 111.029 176.457 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.72 -44.52 73.69 Favored 'General case' 0 CA--C 1.559 1.295 0 N-CA-C 113.551 0.945 . . . . 0.0 113.551 177.812 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 2.8 mmpt? -68.68 -48.45 63.9 Favored 'General case' 0 CA--C 1.563 1.466 0 CA-C-O 118.105 -0.95 . . . . 0.0 111.723 177.027 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.97 -44.78 95.12 Favored 'General case' 0 C--N 1.358 0.94 0 CA-C-O 117.11 -1.424 . . . . 0.0 113.825 179.076 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.452 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 9.8 t80 -68.11 -44.26 76.58 Favored 'General case' 0 N--CA 1.485 1.282 0 CA-C-N 121.35 1.886 . . . . 0.0 111.741 177.729 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 22.8 mmtt -65.35 -33.05 75.05 Favored 'General case' 0 CA--C 1.582 2.18 0 CA-C-N 121.265 1.848 . . . . 0.0 111.998 179.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.4 pp -74.95 -32.49 61.74 Favored 'General case' 0 CA--C 1.582 2.192 0 CA-C-N 122.627 2.467 . . . . 0.0 112.089 173.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -58.22 -47.62 82.92 Favored 'General case' 0 N--CA 1.498 1.954 0 C-N-CA 125.329 1.452 . . . . 0.0 112.516 173.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -92.89 74.85 4.85 Favored 'General case' 0 CA--C 1.597 2.772 0 N-CA-C 106.558 -1.645 . . . . 0.0 106.558 178.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -57.34 -24.7 56.81 Favored 'General case' 0 N--CA 1.51 2.574 0 CA-C-N 123.357 2.799 . . . . 0.0 117.043 -179.598 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 25.5 p-10 -82.31 -6.28 59.14 Favored 'General case' 0 CA--C 1.588 2.408 0 CA-C-N 121.24 1.836 . . . . 0.0 113.61 175.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 78.56 -9.38 1.51 Allowed 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 120.902 3.667 . . . . 0.0 120.902 176.098 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 28.7 p -52.06 -40.4 61.1 Favored 'General case' 0 N--CA 1.497 1.905 0 C-N-CA 125.798 1.639 . . . . 0.0 113.84 176.467 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.86 73.4 1.28 Allowed Glycine 0 CA--C 1.533 1.183 0 N-CA-C 115.971 1.148 . . . . 0.0 115.971 178.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.45 109.89 2.43 Favored 'General case' 0 CA--C 1.569 1.7 0 C-N-CA 123.85 0.86 . . . . 0.0 111.981 178.021 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.7 mp -112.29 123.37 67.96 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.348 0 N-CA-C 105.65 -1.981 . . . . 0.0 105.65 175.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.3 p -101.2 172.02 7.25 Favored 'General case' 0 CA--C 1.579 2.094 0 CA-C-N 113.201 -1.818 . . . . 0.0 108.02 175.685 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.4 ' CE1' ' HB2' ' A' ' 142' ' ' LEU . 2.9 t80 -53.99 -37.35 63.92 Favored 'General case' 0 CA--C 1.588 2.434 0 N-CA-C 116.018 1.859 . . . . 0.0 116.018 179.458 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.5 OUTLIER -65.62 -42.83 91.07 Favored 'General case' 0 CA--C 1.586 2.365 0 O-C-N 120.038 -1.664 . . . . 0.0 112.952 178.97 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.26 2.1 t-20 -65.77 -32.33 73.8 Favored 'General case' 0 N--CA 1.514 2.763 0 O-C-N 120.593 -1.317 . . . . 0.0 109.026 175.315 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 87.6 mt -55.88 -44.73 78.43 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-N 121.388 1.904 . . . . 0.0 110.332 171.943 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 54.5 mttp -52.04 -51.53 56.88 Favored 'General case' 0 N--CA 1.5 2.043 0 C-N-CA 125.272 1.429 . . . . 0.0 110.808 174.565 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.4 ptm180 -59.95 -43.37 95.06 Favored 'General case' 0 N--CA 1.515 2.781 0 C-N-CA 118.433 -1.307 . . . . 0.0 113.638 176.448 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 47.7 t -70.03 -34.05 57.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.665 0 CA-C-O 118.775 -0.631 . . . . 0.0 111.562 178.703 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.54 -52.07 66.17 Favored 'General case' 0 CA--C 1.563 1.458 0 CA-C-N 119.796 1.18 . . . . 0.0 111.369 175.413 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.7 pttp -68.51 -35.39 77.43 Favored 'General case' 0 CA--C 1.581 2.16 0 CA-C-N 119.648 1.113 . . . . 0.0 113.958 174.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -72.73 -29.35 63.28 Favored 'General case' 0 CA--C 1.575 1.929 0 N-CA-C 116.266 1.95 . . . . 0.0 116.266 177.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 13.6 mt -67.47 -73.23 0.14 Allowed 'General case' 0 CA--C 1.563 1.47 0 C-N-CA 125.325 1.45 . . . . 0.0 113.17 179.443 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -153.18 -46.16 0.02 OUTLIER Glycine 0 N--CA 1.488 2.117 0 CA-C-O 118.693 -1.059 . . . . 0.0 115.061 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.0 tp10 -147.65 133.25 18.79 Favored 'General case' 0 N--CA 1.487 1.398 0 CA-C-N 119.275 1.538 . . . . 0.0 109.007 179.36 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.0 t30 -81.82 98.48 8.5 Favored 'General case' 0 CA--C 1.561 1.378 0 O-C-N 121.069 -1.019 . . . . 0.0 110.114 178.743 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.495 HD23 ' HG2' ' A' ' 141' ' ' GLU . 8.7 mp -70.33 177.63 3.26 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 121.509 0.671 . . . . 0.0 112.545 179.402 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.4 t -80.45 156.95 26.36 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-O 123.074 1.416 . . . . 0.0 112.681 -176.122 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.2 p-10 -41.7 -50.4 4.22 Favored 'General case' 0 CA--C 1.572 1.817 0 N-CA-C 117.766 2.506 . . . . 0.0 117.766 178.693 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 pt-20 -62.37 -45.35 93.54 Favored 'General case' 0 CA--C 1.568 1.649 0 C-N-CA 125.638 1.575 . . . . 0.0 113.135 178.129 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . 0.495 ' HG2' HD23 ' A' ' 137' ' ' LEU . 6.2 tp10 -58.6 -52.3 66.24 Favored 'General case' 0 CA--C 1.583 2.215 0 C-N-CA 124.383 1.073 . . . . 0.0 111.343 175.345 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.4 ' HB2' ' CE1' ' A' ' 123' ' ' PHE . 18.1 mt -57.85 -44.6 86.64 Favored 'General case' 0 CA--C 1.583 2.244 0 O-C-N 120.722 -1.236 . . . . 0.0 112.309 175.163 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.7 OUTLIER -64.05 -37.36 87.13 Favored 'General case' 0 CA--C 1.572 1.803 0 O-C-N 121.238 -0.914 . . . . 0.0 111.956 177.454 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.13 -39.51 82.56 Favored 'General case' 0 CA--C 1.585 2.299 0 CA-C-N 120.294 1.407 . . . . 0.0 110.391 173.328 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.4 mmt -61.68 -38.4 87.67 Favored 'General case' 0 CA--C 1.584 2.261 0 O-C-N 121.335 -0.853 . . . . 0.0 111.245 173.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 7.1 mm -61.75 -53.32 49.85 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.778 0 O-C-N 120.684 -1.26 . . . . 0.0 109.883 173.325 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -51.93 -38.76 57.6 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 119.597 1.089 . . . . 0.0 113.379 178.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.5 mm-40 -61.63 -54.86 37.27 Favored 'General case' 0 N--CA 1.493 1.714 0 CA-C-O 123.602 1.668 . . . . 0.0 114.654 170.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -61.92 -44.2 97.27 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 118.021 2.6 . . . . 0.0 118.021 -178.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.291 35.6 t70 -70.51 37.31 0.05 OUTLIER 'General case' 0 CA--C 1.595 2.676 0 C-N-CA 126.857 2.063 . . . . 0.0 116.525 -179.529 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -46.16 -40.71 11.52 Favored 'General case' 0 N--CA 1.493 1.698 0 N-CA-C 120.065 3.357 . . . . 0.0 120.065 -175.096 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 24.1 t70 -131.12 52.4 2.06 Favored 'General case' 0 CA--C 1.579 2.074 0 N-CA-C 106.734 -1.58 . . . . 0.0 106.734 175.164 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -131.9 -153.29 7.38 Favored Glycine 0 CA--C 1.571 3.538 0 O-C-N 120.147 -1.596 . . . . 0.0 113.254 -178.08 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 24.9 t0 -137.75 43.74 2.24 Favored 'General case' 0 CA--C 1.605 3.063 0 O-C-N 120.583 -1.539 . . . . 0.0 108.464 -178.508 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 95.05 19.83 29.83 Favored Glycine 0 CA--C 1.567 3.332 0 O-C-N 117.616 -3.178 . . . . 0.0 114.755 -175.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 15.4 pt-20 -160.04 150.16 18.4 Favored 'General case' 0 CA--C 1.572 1.794 0 C-N-CA 126.178 1.791 . . . . 0.0 108.15 -178.194 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.6 t -99.76 119.23 47.53 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.132 0 O-C-N 119.989 -1.694 . . . . 0.0 108.384 -174.603 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 16.6 m -100.01 173.05 6.84 Favored 'General case' 0 CA--C 1.554 1.127 0 N-CA-C 113.656 0.984 . . . . 0.0 113.656 -178.55 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.1 pp20? -51.79 -49.35 62.88 Favored 'General case' 0 N--CA 1.499 2.02 0 N-CA-C 115.131 1.53 . . . . 0.0 115.131 -178.599 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -62.96 -36.59 83.97 Favored 'General case' 0 N--CA 1.488 1.441 0 CA-C-N 120.73 1.605 . . . . 0.0 113.868 178.153 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -75.27 -24.06 57.51 Favored 'General case' 0 CA--C 1.581 2.142 0 CA-C-N 121.725 2.057 . . . . 0.0 112.939 174.193 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.452 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -62.91 -59.33 4.98 Favored 'General case' 0 N--CA 1.485 1.297 0 C-N-CA 126.141 1.776 . . . . 0.0 109.561 174.179 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -80.03 -60.05 2.48 Favored 'General case' 0 CA--C 1.579 2.061 0 CA-C-O 118.152 -0.928 . . . . 0.0 112.422 178.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 2.7 mpt_? -80.19 -23.82 40.74 Favored 'General case' 0 N--CA 1.505 2.284 0 N-CA-C 121.095 3.739 . . . . 0.0 121.095 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.2 tp . . . . . 0 N--CA 1.518 2.949 0 CA-C-N 123.348 2.795 . . . . 0.0 117.251 -176.401 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.2 t80 . . . . . 0 N--CA 1.517 2.902 0 N-CA-C 117.337 2.347 . . . . 0.0 117.337 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.02 -34.67 31.49 Favored Glycine 0 N--CA 1.496 2.647 0 O-C-N 121.251 -0.906 . . . . 0.0 115.332 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -58.27 -51.75 68.48 Favored 'General case' 0 CA--C 1.568 1.637 0 C-N-CA 125.642 1.577 . . . . 0.0 110.645 175.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 77.5 t80 -57.38 -47.25 82.16 Favored 'General case' 0 N--CA 1.5 2.068 0 CA-C-N 120.487 1.494 . . . . 0.0 110.299 173.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 54.0 tp -56.01 -53.83 52.17 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 114.413 1.264 . . . . 0.0 114.413 178.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.59 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 7.3 t -61.7 -36.24 80.34 Favored 'General case' 0 N--CA 1.497 1.908 0 CA-C-O 117.698 -1.144 . . . . 0.0 112.846 178.102 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.4 t -58.44 -48.27 85.74 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.836 0 CA-C-N 120.401 1.455 . . . . 0.0 111.97 175.525 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -66.59 -53.95 28.8 Favored 'General case' 0 CA--C 1.581 2.14 0 CA-C-N 118.612 0.642 . . . . 0.0 111.539 176.287 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.59 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 38.4 p -52.64 -55.27 23.67 Favored 'General case' 0 N--CA 1.51 2.55 0 C-N-CA 126.104 1.762 . . . . 0.0 113.737 177.811 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.1 pt20 -61.98 -39.54 92.51 Favored 'General case' 0 N--CA 1.498 1.969 0 N-CA-C 114.798 1.407 . . . . 0.0 114.798 178.77 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.7 OUTLIER -67.52 -40.7 85.1 Favored 'General case' 0 CA--C 1.574 1.899 0 CA-C-N 119.599 1.09 . . . . 0.0 112.925 176.817 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.9 ttt -75.99 -43.33 44.96 Favored 'General case' 0 CA--C 1.579 2.077 0 N-CA-C 113.321 0.86 . . . . 0.0 113.321 176.371 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 9.3 t 106.41 93.63 0.0 OUTLIER 'General case' 0 N--CA 1.498 1.95 0 C-N-CA 128.061 2.545 . . . . 0.0 108.979 -179.524 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -128.23 -92.81 0.46 Allowed 'General case' 0 N--CA 1.493 1.706 0 CA-C-O 118.257 -0.878 . . . . 0.0 109.061 -179.807 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -161.87 -58.78 0.05 OUTLIER 'General case' 0 N--CA 1.501 2.121 0 CA-C-N 121.448 1.931 . . . . 0.0 113.563 179.105 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 64.22 106.21 0.03 OUTLIER 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 115.203 1.557 . . . . 0.0 115.203 179.476 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.9 t -167.05 -175.7 3.1 Favored 'General case' 0 N--CA 1.503 2.182 0 O-C-N 120.331 -1.481 . . . . 0.0 110.959 -179.773 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.85 164.5 21.86 Favored 'General case' 0 N--CA 1.503 2.19 0 O-C-N 119.752 -1.843 . . . . 0.0 111.19 176.316 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER 68.84 -42.02 0.48 Allowed 'General case' 0 N--CA 1.529 3.499 0 CA-C-N 123.116 2.689 . . . . 0.0 111.127 -171.769 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.8 tp10 -54.82 -36.98 65.57 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.163 1.785 . . . . 0.0 112.296 175.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.4 tt -59.64 -40.77 83.1 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.49 0 CA-C-N 121.434 1.925 . . . . 0.0 111.105 174.042 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.46 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 3.3 mp -69.53 -48.57 60.04 Favored 'General case' 0 CA--C 1.556 1.211 0 CA-C-O 118.626 -0.702 . . . . 0.0 112.651 178.283 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.1 mptt -64.99 -41.46 95.38 Favored 'General case' 0 CA--C 1.566 1.593 0 CA-C-O 117.468 -1.253 . . . . 0.0 111.648 175.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.26 -46.8 85.17 Favored 'General case' 0 CA--C 1.555 1.155 0 CA-C-N 121.189 1.813 . . . . 0.0 113.961 177.542 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.497 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.4 t80 -67.17 -41.57 85.74 Favored 'General case' 0 N--CA 1.495 1.777 0 CA-C-N 121.595 1.998 . . . . 0.0 111.477 176.425 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.9 tptp -67.44 -32.19 72.89 Favored 'General case' 0 CA--C 1.58 2.121 0 CA-C-N 120.078 1.308 . . . . 0.0 112.216 178.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp -77.12 -26.29 53.07 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-N 122.155 2.252 . . . . 0.0 111.108 171.817 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -56.85 -51.95 67.01 Favored 'General case' 0 N--CA 1.492 1.645 0 CA-C-N 119.903 1.228 . . . . 0.0 109.387 172.598 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -68.83 73.28 0.26 Allowed 'General case' 0 CA--C 1.586 2.351 0 N-CA-C 114.269 1.211 . . . . 0.0 114.269 -179.191 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.73 -15.05 0.08 Allowed 'General case' 0 CA--C 1.606 3.121 0 O-C-N 118.68 -2.513 . . . . 0.0 115.523 173.529 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 50.9 p30 -88.49 -16.41 32.8 Favored 'General case' 0 CA--C 1.581 2.137 0 C-N-CA 126.089 1.755 . . . . 0.0 112.804 174.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 6.5 tp10 78.22 -1.02 2.56 Favored 'General case' 0 CA--C 1.586 2.357 0 C-N-CA 127.642 2.377 . . . . 0.0 115.239 -178.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 33.8 p -81.57 -14.6 56.62 Favored 'General case' 0 N--CA 1.482 1.153 0 O-C-N 118.769 -2.457 . . . . 0.0 115.834 -178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.09 51.54 22.75 Favored Glycine 0 CA--C 1.539 1.558 0 CA-C-N 121.365 1.893 . . . . 0.0 117.814 -178.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.0 tptm -145.53 109.89 4.97 Favored 'General case' 0 CA--C 1.56 1.337 0 N-CA-C 107.054 -1.462 . . . . 0.0 107.054 177.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.4 mp -109.97 126.2 67.18 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.894 0 CA-C-O 123.558 1.647 . . . . 0.0 107.742 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.4 p -104.56 176.89 5.01 Favored 'General case' 0 CA--C 1.578 2.052 0 CA-C-N 112.142 -2.299 . . . . 0.0 107.53 175.35 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.411 ' CE1' ' HB2' ' A' ' 142' ' ' LEU . 67.3 t80 -56.54 -35.74 68.46 Favored 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 117.113 2.264 . . . . 0.0 117.113 -179.669 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 8.5 mmmm -64.88 -39.28 93.3 Favored 'General case' 0 CA--C 1.579 2.078 0 O-C-N 120.543 -1.348 . . . . 0.0 113.267 178.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.326 24.9 t-20 -73.59 -25.36 60.31 Favored 'General case' 0 CA--C 1.6 2.871 0 CA-C-N 120.194 1.361 . . . . 0.0 109.276 175.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 41.8 mt -57.28 -44.71 84.25 Favored 'General case' 0 N--CA 1.509 2.51 0 CA-C-N 122.109 2.231 . . . . 0.0 109.271 168.262 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 81.1 mttt -55.56 -44.24 76.65 Favored 'General case' 0 CA--C 1.568 1.662 0 CA-C-O 117.567 -1.206 . . . . 0.0 110.505 173.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -53.42 -54.94 29.61 Favored 'General case' 0 N--CA 1.504 2.229 0 CA-C-N 119.864 1.211 . . . . 0.0 111.649 174.069 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . 0.267 0.4 OUTLIER -61.82 -40.98 88.9 Favored 'Isoleucine or valine' 0 N--CA 1.52 3.048 0 CA-C-N 119.749 1.159 . . . . 0.0 111.569 177.898 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.97 -49.75 70.62 Favored 'General case' 0 CA--C 1.581 2.159 0 CA-C-N 120.043 1.292 . . . . 0.0 112.16 176.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 8.5 ptmm? -76.03 -40.8 52.65 Favored 'General case' 0 CA--C 1.578 2.025 0 N-CA-C 115.23 1.567 . . . . 0.0 115.23 175.694 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -59.27 -40.01 84.73 Favored 'General case' 0 N--CA 1.5 2.041 0 N-CA-C 115.972 1.842 . . . . 0.0 115.972 -179.831 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -66.17 -47.43 74.03 Favored 'General case' 0 CA--C 1.569 1.699 0 C-N-CA 124.766 1.226 . . . . 0.0 111.547 175.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 126.38 -42.78 1.43 Allowed Glycine 0 N--CA 1.491 2.301 0 N-CA-C 117.895 1.918 . . . . 0.0 117.895 177.482 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -112.07 122.5 47.92 Favored 'General case' 0 N--CA 1.492 1.651 0 CA-C-N 118.738 1.269 . . . . 0.0 109.4 -178.818 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.3 p-10 -139.78 171.51 14.12 Favored 'General case' 0 N--CA 1.492 1.667 0 N-CA-C 116.723 2.119 . . . . 0.0 116.723 -178.445 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -88.13 -125.96 0.05 Allowed 'General case' 0 CA--C 1.575 1.925 0 CA-C-N 114.619 -1.173 . . . . 0.0 112.085 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.7 t -141.26 168.1 20.58 Favored 'General case' 0 N--CA 1.487 1.38 0 CA-C-O 123.766 1.746 . . . . 0.0 109.278 -179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.4 p-10 -41.6 -51.67 3.93 Favored 'General case' 0 CA--C 1.57 1.741 0 N-CA-C 117.335 2.346 . . . . 0.0 117.335 177.056 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.73 -43.74 98.01 Favored 'General case' 0 CA--C 1.572 1.822 0 C-N-CA 125.588 1.555 . . . . 0.0 112.675 178.551 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -58.72 -52.87 63.83 Favored 'General case' 0 N--CA 1.505 2.319 0 C-N-CA 123.518 0.727 . . . . 0.0 110.769 175.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.411 ' HB2' ' CE1' ' A' ' 123' ' ' PHE . 14.2 mt -56.63 -36.15 69.14 Favored 'General case' 0 CA--C 1.573 1.844 0 O-C-N 120.796 -1.19 . . . . 0.0 113.014 175.142 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.257 22.3 tp60 -71.65 -35.89 70.53 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-O 117.751 -1.118 . . . . 0.0 110.621 -179.768 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -59.13 -40.94 86.99 Favored 'General case' 0 CA--C 1.584 2.275 0 CA-C-N 120.357 1.435 . . . . 0.0 109.536 171.662 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 38.5 mmt -59.7 -38.28 81.16 Favored 'General case' 0 CA--C 1.583 2.24 0 C-N-CA 124.279 1.032 . . . . 0.0 112.421 175.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.436 HD13 ' HA ' ' A' ' 146' ' ' ILE . 4.6 mm -65.99 -60.08 3.13 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.486 0 O-C-N 120.662 -1.274 . . . . 0.0 110.672 173.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -58.82 -33.01 69.9 Favored 'General case' 0 N--CA 1.501 2.115 0 N-CA-C 113.58 0.956 . . . . 0.0 113.58 -179.601 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.14 -34.39 70.97 Favored 'General case' 0 N--CA 1.511 2.601 0 CA-C-N 121.039 1.745 . . . . 0.0 112.366 172.923 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -78.75 -37.49 41.08 Favored 'General case' 0 CA--C 1.585 2.31 0 N-CA-C 118.079 2.622 . . . . 0.0 118.079 177.097 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -57.89 20.42 0.0 OUTLIER 'General case' 0 CA--C 1.59 2.507 1 N-CA-C 122.628 4.307 . . . . 0.0 122.628 -177.65 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -42.87 -50.19 5.76 Favored 'General case' 0 N--CA 1.499 2.014 1 N-CA-C 124.669 5.063 . . . . 0.0 124.669 -169.049 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 54.8 m-20 -117.63 47.77 1.48 Allowed 'General case' 0 CA--C 1.575 1.908 0 CA-C-N 121.342 1.883 . . . . 0.0 107.86 175.281 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -131.49 -129.26 3.03 Favored Glycine 0 CA--C 1.556 2.642 0 O-C-N 120.453 -1.404 . . . . 0.0 113.77 -178.635 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 17.6 p-10 -144.04 30.83 1.28 Allowed 'General case' 0 CA--C 1.591 2.528 0 CA-C-N 119.445 1.622 . . . . 0.0 109.134 -177.009 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 92.48 29.61 10.84 Favored Glycine 0 N--CA 1.507 3.425 0 CA-C-N 123.219 2.736 . . . . 0.0 114.686 -175.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.1 pt-20 -160.04 157.93 29.56 Favored 'General case' 0 CA--C 1.581 2.135 0 C-N-CA 127.934 2.493 . . . . 0.0 104.829 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.79 123.89 52.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.122 0 O-C-N 118.837 -2.414 . . . . 0.0 110.901 -174.164 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 20.3 p -99.94 172.47 7.2 Favored 'General case' 0 CA--C 1.565 1.522 0 CA-C-O 123.69 1.709 . . . . 0.0 112.126 178.193 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.281 0.0 OUTLIER -54.52 -43.45 71.91 Favored 'General case' 0 CA--C 1.565 1.523 0 CA-C-O 116.891 -1.528 . . . . 0.0 113.285 178.11 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.3 OUTLIER -63.75 -34.47 77.96 Favored 'General case' 0 CA--C 1.567 1.627 0 CA-C-N 123.062 2.664 . . . . 0.0 113.046 177.306 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -74.06 -26.77 60.58 Favored 'General case' 0 N--CA 1.499 1.987 0 CA-C-N 121.999 2.181 . . . . 0.0 112.326 173.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.497 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.0 OUTLIER -65.62 -60.22 3.13 Favored 'General case' 0 CA--C 1.563 1.442 0 CA-C-N 120.576 1.535 . . . . 0.0 110.886 175.913 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.418 ' H ' ' HG ' ' A' ' 163' ' ' LEU . 1.8 pp -80.45 -60.1 2.45 Favored 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 117.771 2.508 . . . . 0.0 117.771 177.797 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 6.9 tpm_? -80.1 -22.44 42.16 Favored 'General case' 0 N--CA 1.491 1.595 1 N-CA-C 123.256 4.539 . . . . 0.0 123.256 -174.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.252 5.5 mm . . . . . 0 CA--C 1.549 0.909 0 CA-C-N 124.396 3.271 . . . . 0.0 111.43 -176.781 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 . . . . . 0 CA--C 1.611 3.324 0 CA-C-O 118.171 -0.919 . . . . 0.0 109.812 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -42.31 -41.42 3.95 Favored Glycine 0 C--N 1.378 2.873 0 CA-C-N 122.678 2.49 . . . . 0.0 117.051 178.711 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.423 ' O ' HG23 ' A' ' 92' ' ' VAL . 5.5 m-20 -56.5 -53.53 56.37 Favored 'General case' 0 CA--C 1.585 2.3 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 173.551 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -55.39 -44.88 76.54 Favored 'General case' 0 N--CA 1.507 2.377 0 C-N-CA 124.361 1.065 . . . . 0.0 111.619 171.852 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.401 ' O ' HG23 ' A' ' 94' ' ' THR . 23.0 tp -58.75 -54.44 47.04 Favored 'General case' 0 CA--C 1.566 1.591 0 CA-C-O 116.755 -1.593 . . . . 0.0 111.171 177.274 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 4.3 t -58.46 -35.9 72.87 Favored 'General case' 0 N--CA 1.509 2.482 0 CA-C-N 121.588 1.994 . . . . 0.0 112.539 177.792 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.423 HG23 ' O ' ' A' ' 88' ' ' ASP . 75.2 t -56.81 -47.14 83.32 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.917 0 CA-C-N 119.162 0.892 . . . . 0.0 109.861 173.181 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.659 ' CG ' HD23 ' A' ' 133' ' ' LEU . 0.0 OUTLIER -80.07 -31.45 39.37 Favored 'General case' 0 CA--C 1.575 1.921 0 N-CA-C 116.146 1.906 . . . . 0.0 116.146 177.246 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.505 HG22 ' HB2' ' A' ' 99' ' ' GLU . 31.4 p -41.86 -44.73 3.46 Favored 'General case' 0 N--CA 1.518 2.93 0 C-N-CA 126.902 2.081 . . . . 0.0 113.185 178.816 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.9 pp0? -54.96 -24.49 24.21 Favored 'General case' 0 CA--C 1.583 2.223 0 N-CA-C 115.616 1.71 . . . . 0.0 115.616 175.514 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -80.03 -33.49 39.12 Favored 'General case' 0 CA--C 1.579 2.062 0 C-N-CA 124.372 1.069 . . . . 0.0 113.21 176.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 82.8 mtp -128.73 -93.57 0.44 Allowed 'General case' 0 CA--C 1.573 1.833 0 C-N-CA 124.284 1.034 . . . . 0.0 108.215 179.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 33.0 t -163.19 -68.55 0.05 OUTLIER 'General case' 0 N--CA 1.5 2.066 0 CA-C-N 120.492 1.496 . . . . 0.0 111.106 179.059 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . 0.505 ' HB2' HG22 ' A' ' 94' ' ' THR 0.312 25.7 mm-40 59.59 -132.94 0.91 Allowed 'General case' 0 CA--C 1.582 2.205 0 N-CA-C 118.501 2.778 . . . . 0.0 118.501 179.147 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -137.69 -93.5 0.21 Allowed 'General case' 0 N--CA 1.509 2.514 0 CA-C-N 124.253 3.206 . . . . 0.0 117.632 -173.714 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 47.2 m-20 64.11 78.32 0.29 Allowed 'General case' 0 N--CA 1.502 2.156 0 C-N-CA 126.593 1.957 . . . . 0.0 115.923 -178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 0.0 OUTLIER -174.67 121.34 0.24 Allowed 'General case' 0 N--CA 1.498 1.973 0 N-CA-C 105.857 -1.905 . . . . 0.0 105.857 178.852 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 3.27 -67.43 0.0 OUTLIER 'General case' 0 N--CA 1.521 3.093 0 N-CA-C 120.13 3.382 . . . . 0.0 120.13 -178.706 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 29.7 tt0 -44.27 -23.17 0.09 Allowed 'General case' 0 CA--C 1.612 3.352 0 CA-C-N 123.004 2.638 . . . . 0.0 115.934 170.873 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 6.6 tm-20 -52.92 -37.77 61.19 Favored 'General case' 0 C--N 1.373 1.596 0 C-N-CA 126.877 2.071 . . . . 0.0 112.371 173.91 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 11.1 tp -59.82 -49.74 82.71 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.981 0 CA-C-N 122.702 2.501 . . . . 0.0 111.98 178.353 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.432 ' HA ' ' HE1' ' A' ' 162' ' ' PHE . 1.5 mm? -73.36 -48.03 37.44 Favored 'General case' 0 N--CA 1.485 1.311 0 N-CA-C 113.678 0.992 . . . . 0.0 113.678 178.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 11.2 mptt -67.72 -42.61 81.66 Favored 'General case' 0 CA--C 1.562 1.421 0 CA-C-O 115.786 -2.054 . . . . 0.0 112.553 176.401 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.57 -41.09 76.31 Favored 'General case' 0 C--N 1.365 1.275 0 CA-C-N 123.472 2.851 . . . . 0.0 113.139 179.302 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.552 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 11.9 t80 -69.29 -45.8 68.75 Favored 'General case' 0 N--CA 1.488 1.436 0 CA-C-N 122.213 2.279 . . . . 0.0 111.102 177.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . 0.283 5.1 mmtt -66.01 -31.27 72.08 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-N 121.205 1.82 . . . . 0.0 112.72 -178.262 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.6 pp -71.64 -30.92 66.29 Favored 'General case' 0 CA--C 1.581 2.16 0 CA-C-N 122.983 2.629 . . . . 0.0 111.524 171.797 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.41 ' CZ ' HG21 ' A' ' 129' ' ' VAL . 0.2 OUTLIER -63.02 -47.27 83.8 Favored 'General case' 0 CA--C 1.567 1.614 0 C-N-CA 124.564 1.146 . . . . 0.0 113.072 174.817 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -84.64 63.7 8.08 Favored 'General case' 0 CA--C 1.596 2.748 0 CA-C-N 119.949 1.25 . . . . 0.0 112.166 179.608 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -49.96 -19.55 0.73 Allowed 'General case' 0 N--CA 1.519 2.984 0 O-C-N 118.379 -2.7 . . . . 0.0 116.808 177.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -85.62 -3.08 58.78 Favored 'General case' 0 CA--C 1.591 2.555 0 CA-C-N 121.18 1.809 . . . . 0.0 112.625 176.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 80.67 -20.64 0.37 Allowed 'General case' 0 N--CA 1.514 2.754 0 N-CA-C 118.806 2.891 . . . . 0.0 118.806 178.179 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 26.9 p -52.53 -39.57 61.54 Favored 'General case' 0 N--CA 1.495 1.775 0 C-N-CA 127.394 2.278 . . . . 0.0 113.75 178.535 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 80.62 59.8 2.44 Favored Glycine 0 C--N 1.346 1.133 0 N-CA-C 118.17 2.028 . . . . 0.0 118.17 177.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.5 tttp -152.81 114.7 4.34 Favored 'General case' 0 CA--C 1.564 1.488 0 N-CA-C 109.96 -0.385 . . . . 0.0 109.96 177.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.2 mp -99.87 127.69 52.49 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.433 0 N-CA-C 106.413 -1.699 . . . . 0.0 106.413 178.029 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.4 p -107.59 172.61 6.73 Favored 'General case' 0 CA--C 1.576 1.944 0 CA-C-N 113.136 -1.847 . . . . 0.0 109.024 176.074 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.5 t80 -56.76 -34.38 67.52 Favored 'General case' 0 N--CA 1.507 2.42 0 N-CA-C 115.26 1.578 . . . . 0.0 115.26 177.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 84.8 tttt -63.49 -40.19 96.44 Favored 'General case' 0 N--CA 1.495 1.781 0 O-C-N 121.325 -0.859 . . . . 0.0 112.443 178.398 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.7 OUTLIER -66.05 -35.08 79.58 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-O 117.721 -1.133 . . . . 0.0 108.856 174.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 44.9 mt -54.16 -47.16 72.27 Favored 'General case' 0 N--CA 1.506 2.353 0 CA-C-N 121.271 1.851 . . . . 0.0 110.508 172.116 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 80.5 mttt -56.13 -47.03 78.93 Favored 'General case' 0 N--CA 1.503 2.208 0 C-N-CA 123.427 0.691 . . . . 0.0 111.534 174.356 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 3.5 mmp_? -58.24 -50.7 72.65 Favored 'General case' 0 N--CA 1.501 2.078 0 O-C-N 121.494 -0.754 . . . . 0.0 112.048 174.908 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.41 HG21 ' CZ ' ' A' ' 113' ' ' PHE . 21.9 t -65.53 -34.28 69.32 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.437 0 O-C-N 121.027 -1.046 . . . . 0.0 111.698 178.012 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.46 -41.92 86.28 Favored 'General case' 0 CA--C 1.573 1.86 0 CA-C-N 119.485 1.039 . . . . 0.0 111.324 173.207 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.6 pttp -65.29 -39.98 93.26 Favored 'General case' 0 CA--C 1.586 2.344 0 CA-C-N 120.898 1.681 . . . . 0.0 111.484 173.653 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -55.34 -51.98 65.0 Favored 'General case' 0 N--CA 1.504 2.231 0 N-CA-C 113.898 1.073 . . . . 0.0 113.898 177.215 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.659 HD23 ' CG ' ' A' ' 93' ' ' MET 0.464 1.0 OUTLIER -54.48 -52.79 60.77 Favored 'General case' 0 CA--C 1.555 1.156 0 C-N-CA 128.473 2.709 . . . . 0.0 115.823 173.107 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 108.55 -37.54 3.76 Favored Glycine 0 N--CA 1.486 2.005 0 CA-C-N 114.973 -1.012 . . . . 0.0 115.054 -179.739 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.419 ' HB3' ' SD ' ' A' ' 93' ' ' MET . 3.3 tp10 -82.01 89.7 6.44 Favored 'General case' 0 CA--C 1.565 1.547 0 CA-C-O 122.41 1.1 . . . . 0.0 108.972 179.085 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 33.8 m-80 -91.75 109.48 20.8 Favored 'General case' 0 N--CA 1.486 1.336 0 CA-C-O 121.656 0.741 . . . . 0.0 110.979 -178.065 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -81.2 -109.09 0.03 OUTLIER 'General case' 0 CA--C 1.563 1.475 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.03 -179.771 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.8 t -154.49 161.82 41.47 Favored 'General case' 0 CA--C 1.551 0.997 0 CA-C-O 124.763 2.22 . . . . 0.0 108.357 178.272 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.0 p-10 -42.83 -50.12 5.72 Favored 'General case' 0 CA--C 1.568 1.673 0 CA-C-N 111.571 -2.559 . . . . 0.0 117.249 177.117 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 pt-20 -63.41 -41.66 98.72 Favored 'General case' 0 CA--C 1.569 1.674 0 C-N-CA 125.652 1.581 . . . . 0.0 113.599 178.388 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 12.2 tp10 -61.11 -54.72 41.09 Favored 'General case' 0 CA--C 1.58 2.113 0 C-N-CA 123.795 0.838 . . . . 0.0 110.398 175.037 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 10.7 mt -56.41 -39.1 72.49 Favored 'General case' 0 CA--C 1.576 1.944 0 O-C-N 120.681 -1.262 . . . . 0.0 112.918 174.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.458 ' NE2' HG21 ' A' ' 146' ' ' ILE . 33.1 tp60 -68.22 -42.35 79.93 Favored 'General case' 0 C--N 1.365 1.254 0 CA-C-O 116.356 -1.783 . . . . 0.0 110.841 -179.397 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 35.7 mt-10 -59.0 -37.83 77.8 Favored 'General case' 0 CA--C 1.578 2.039 0 CA-C-N 121.104 1.775 . . . . 0.0 110.146 174.545 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -60.19 -43.52 95.83 Favored 'General case' 0 N--CA 1.506 2.345 0 CA-C-N 121.107 1.776 . . . . 0.0 110.796 172.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.458 HG21 ' NE2' ' A' ' 143' ' ' GLN . 1.4 mm -56.93 -52.1 59.78 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.014 0 C-N-CA 123.942 0.897 . . . . 0.0 109.892 172.834 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 10.3 m-20 -51.07 -39.55 56.28 Favored 'General case' 0 CA--C 1.566 1.578 0 C-N-CA 125.01 1.324 . . . . 0.0 114.256 -179.88 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -67.1 -51.83 49.45 Favored 'General case' 0 N--CA 1.506 2.351 0 CA-C-O 122.349 1.071 . . . . 0.0 110.487 173.212 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.486 ' HB1' ' CG2' ' A' ' 157' ' ' VAL . . . -64.78 -41.6 95.72 Favored 'General case' 0 CA--C 1.575 1.911 0 N-CA-C 120.267 3.432 . . . . 0.0 120.267 -179.609 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 25.0 t0 -61.21 72.04 0.01 OUTLIER 'General case' 0 CA--C 1.598 2.804 0 N-CA-C 118.505 2.78 . . . . 0.0 118.505 -176.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -54.82 -32.3 60.26 Favored 'General case' 0 N--CA 1.499 2.002 0 O-C-N 117.741 -3.1 . . . . 0.0 116.544 178.691 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 73.2 m-20 -69.05 -33.27 73.31 Favored 'General case' 0 CA--C 1.579 2.081 0 CA-C-O 118.403 -0.808 . . . . 0.0 113.038 175.569 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 97.97 -9.43 63.68 Favored Glycine 0 N--CA 1.493 2.48 0 N-CA-C 120.305 2.882 . . . . 0.0 120.305 179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -87.59 -34.39 18.55 Favored 'General case' 0 N--CA 1.498 1.972 0 CA-C-N 120.481 2.14 . . . . 0.0 113.978 178.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 138.97 34.76 0.16 Allowed Glycine 0 CA--C 1.551 2.299 0 N-CA-C 116.756 1.462 . . . . 0.0 116.756 179.54 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 6.6 pt-20 -160.05 142.2 13.11 Favored 'General case' 0 CA--C 1.574 1.898 0 CA-C-N 119.47 1.635 . . . . 0.0 112.233 -178.554 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.486 ' CG2' ' HB1' ' A' ' 149' ' ' ALA . 4.4 t -99.95 127.14 53.15 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.463 0 C-N-CA 125.167 1.387 . . . . 0.0 110.79 -176.281 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 70.8 p -100.03 175.28 5.81 Favored 'General case' 0 CA--C 1.568 1.653 0 N-CA-C 116.329 1.974 . . . . 0.0 116.329 -179.212 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -52.64 -50.12 63.8 Favored 'General case' 0 N--CA 1.511 2.588 0 CA-C-O 117.714 -1.136 . . . . 0.0 113.129 178.775 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.442 ' HA ' ' CD1' ' A' ' 163' ' ' LEU . 0.0 OUTLIER -63.87 -30.81 71.86 Favored 'General case' 0 CA--C 1.563 1.453 0 N-CA-C 115.146 1.536 . . . . 0.0 115.146 -179.884 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -79.95 -25.21 40.52 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 119.412 1.006 . . . . 0.0 111.605 176.15 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.552 ' CE1' ' HB3' ' A' ' 110' ' ' PHE 0.256 0.0 OUTLIER -65.68 -60.1 3.25 Favored 'General case' 0 CA--C 1.557 1.224 0 CA-C-N 120.504 1.502 . . . . 0.0 109.365 175.426 . . . . . . . . 4 4 . 1 . 005 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.61 HD12 ' H ' ' A' ' 164' ' ' ARG . 0.4 OUTLIER -80.32 -60.04 2.47 Favored 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 115.521 1.674 . . . . 0.0 115.521 178.46 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.61 ' H ' HD12 ' A' ' 163' ' ' LEU . 0.7 OUTLIER -80.08 -19.91 46.39 Favored 'General case' 0 CA--C 1.582 2.191 0 N-CA-C 119.298 3.073 . . . . 0.0 119.298 -178.007 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.254 7.8 tp . . . . . 0 N--CA 1.517 2.899 0 CA-C-N 123.394 2.816 . . . . 0.0 117.595 -176.25 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 66.0 m-85 . . . . . 0 N--CA 1.507 2.402 0 N-CA-C 119.495 3.146 . . . . 0.0 119.495 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -53.74 -36.07 54.04 Favored Glycine 0 N--CA 1.506 3.365 0 CA-C-N 120.807 1.639 . . . . 0.0 115.764 176.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 18.6 t0 -69.05 -59.89 2.73 Favored 'General case' 0 CA--C 1.568 1.663 0 C-N-CA 125.741 1.616 . . . . 0.0 111.428 176.179 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 32.3 t80 -50.44 -46.77 56.76 Favored 'General case' 0 N--CA 1.506 2.372 0 CA-C-N 120.443 1.474 . . . . 0.0 113.428 176.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 31.6 tp -65.02 -50.45 66.2 Favored 'General case' 0 CA--C 1.559 1.309 0 CA-C-O 117.587 -1.197 . . . . 0.0 111.954 176.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.527 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 6.7 t -57.07 -38.0 72.66 Favored 'General case' 0 N--CA 1.509 2.514 0 CA-C-N 120.523 1.511 . . . . 0.0 113.259 178.039 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 57.1 t -56.57 -53.19 44.08 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.064 0 C-N-CA 125.241 1.416 . . . . 0.0 109.696 174.356 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.684 ' HG2' HD13 ' A' ' 133' ' ' LEU . 0.6 OUTLIER -70.7 -36.7 73.39 Favored 'General case' 0 CA--C 1.583 2.212 0 N-CA-C 113.745 1.017 . . . . 0.0 113.745 176.616 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.527 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 73.3 p -66.31 -49.55 66.66 Favored 'General case' 0 N--CA 1.509 2.518 0 C-N-CA 124.681 1.193 . . . . 0.0 112.29 177.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -54.09 -30.05 46.95 Favored 'General case' 0 N--CA 1.505 2.287 0 N-CA-C 115.299 1.592 . . . . 0.0 115.299 177.084 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 20.8 ttmm -64.05 -35.07 79.52 Favored 'General case' 0 CA--C 1.583 2.227 0 C-N-CA 124.525 1.13 . . . . 0.0 112.921 174.785 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 53.7 mtt -103.42 -174.26 2.51 Favored 'General case' 0 CA--C 1.581 2.136 0 C-N-CA 125.059 1.344 . . . . 0.0 109.357 176.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 67.8 m -83.72 59.85 5.41 Favored 'General case' 0 N--CA 1.498 1.946 0 O-C-N 119.11 -2.244 . . . . 0.0 115.155 -179.593 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 32.4 mt-10 -143.96 141.79 30.39 Favored 'General case' 0 N--CA 1.496 1.842 0 CA-C-O 122.338 1.066 . . . . 0.0 111.441 179.834 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.25 -170.82 2.89 Favored 'General case' 0 CA--C 1.579 2.089 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 -177.947 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 74.34 135.57 0.05 Allowed 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 116.246 1.943 . . . . 0.0 116.246 178.001 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 67.0 p -109.85 -137.58 0.37 Allowed 'General case' 0 CA--C 1.584 2.272 0 CA-C-N 115.761 -0.654 . . . . 0.0 111.203 -179.677 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.52 ' HD2' ' H ' ' A' ' 104' ' ' GLU 0.344 0.0 OUTLIER 47.7 -86.16 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.512 0 C-N-CA 128.229 2.612 . . . . 0.0 114.779 -176.839 . . . . . . . . 4 4 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . 0.52 ' H ' ' HD2' ' A' ' 103' ' ' LYS . 4.1 mm-40 -42.97 -27.04 0.16 Allowed 'General case' 0 CA--C 1.595 2.691 0 CA-C-N 123.766 2.985 . . . . 0.0 117.03 172.372 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -67.22 -30.4 70.31 Favored 'General case' 0 C--N 1.362 1.133 0 CA-C-O 115.253 -2.308 . . . . 0.0 113.872 176.855 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.6 tt -64.34 -46.76 92.17 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 CA-C-N 125.207 3.639 . . . . 0.0 112.16 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.2 mm? -70.61 -50.89 32.29 Favored 'General case' 0 CA--C 1.557 1.22 0 N-CA-C 112.647 0.61 . . . . 0.0 112.647 178.607 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 57.3 mttp -67.02 -42.39 84.99 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-O 116.931 -1.509 . . . . 0.0 112.653 178.128 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.7 -41.21 88.38 Favored 'General case' 0 C--N 1.363 1.166 0 CA-C-O 115.372 -2.252 . . . . 0.0 112.458 177.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.45 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.3 t80 -65.29 -47.06 77.94 Favored 'General case' 0 C--N 1.364 1.237 0 CA-C-N 122.482 2.401 . . . . 0.0 111.919 177.123 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.2 tptt -65.08 -35.51 81.38 Favored 'General case' 0 CA--C 1.577 2.006 0 CA-C-N 120.363 1.438 . . . . 0.0 112.941 -177.508 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.7 pp -74.56 -22.81 58.81 Favored 'General case' 0 N--CA 1.495 1.778 0 CA-C-N 122.275 2.307 . . . . 0.0 113.145 172.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -62.5 -39.14 92.53 Favored 'General case' 0 CA--C 1.556 1.174 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 175.308 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -74.21 63.12 0.98 Allowed 'General case' 0 CA--C 1.587 2.387 0 N-CA-C 114.629 1.344 . . . . 0.0 114.629 179.484 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -43.72 -19.03 0.02 OUTLIER 'General case' 0 CA--C 1.596 2.742 0 N-CA-C 116.664 2.098 . . . . 0.0 116.664 173.235 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.2 m-20 -79.62 -18.66 51.04 Favored 'General case' 0 CA--C 1.588 2.425 0 CA-C-N 120.452 1.478 . . . . 0.0 111.092 175.707 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 68.43 58.68 0.42 Allowed 'General case' 0 CA--C 1.581 2.162 0 CA-C-O 125.951 2.786 . . . . 0.0 112.097 179.522 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 42.5 p -133.6 -26.36 1.61 Allowed 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 111.691 -2.504 . . . . 0.0 112.121 -179.928 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 84.55 41.7 7.69 Favored Glycine 0 N--CA 1.487 2.043 0 N-CA-C 117.206 1.642 . . . . 0.0 117.206 -179.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -153.88 130.63 10.81 Favored 'General case' 0 N--CA 1.485 1.305 0 N-CA-C 107.191 -1.411 . . . . 0.0 107.191 177.999 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.1 mp -99.85 122.27 51.52 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.83 0 CA-C-O 123.553 1.645 . . . . 0.0 107.612 179.126 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 69.8 p -99.99 165.6 11.46 Favored 'General case' 0 CA--C 1.584 2.287 0 CA-C-N 111.9 -2.409 . . . . 0.0 106.157 174.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -54.68 -32.37 59.28 Favored 'General case' 0 N--CA 1.511 2.613 0 O-C-N 119.725 -1.86 . . . . 0.0 114.935 178.471 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -63.68 -42.49 98.03 Favored 'General case' 0 CA--C 1.569 1.709 0 O-C-N 121.088 -1.008 . . . . 0.0 112.468 177.277 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -66.87 -35.36 79.86 Favored 'General case' 0 CA--C 1.585 2.319 0 CA-C-N 120.274 1.397 . . . . 0.0 109.002 175.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 98.6 mt -52.43 -46.75 66.52 Favored 'General case' 0 N--CA 1.508 2.453 0 CA-C-N 121.427 1.921 . . . . 0.0 110.431 172.585 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 31.9 mmtp -58.58 -47.93 82.64 Favored 'General case' 0 N--CA 1.496 1.845 0 C-N-CA 123.781 0.832 . . . . 0.0 112.665 174.151 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.3 mtp-105 -56.18 -52.23 65.13 Favored 'General case' 0 N--CA 1.493 1.712 0 N-CA-C 112.232 0.456 . . . . 0.0 112.232 176.178 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 6.5 t -67.79 -34.48 67.87 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.31 0 CA-C-O 118.098 -0.954 . . . . 0.0 111.899 179.13 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -55.38 -53.39 56.75 Favored 'General case' 0 CA--C 1.575 1.912 0 CA-C-N 120.397 1.453 . . . . 0.0 110.135 174.08 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 29.1 mtpp -70.05 -42.04 73.42 Favored 'General case' 0 CA--C 1.574 1.897 0 N-CA-C 114.348 1.24 . . . . 0.0 114.348 175.654 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 84.8 mt-10 -67.39 -20.04 65.49 Favored 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 116.548 2.055 . . . . 0.0 116.548 179.085 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.684 HD13 ' HG2' ' A' ' 93' ' ' MET . 8.8 mt -68.12 -70.44 0.26 Allowed 'General case' 0 CA--C 1.567 1.596 0 CA-C-N 120.381 1.446 . . . . 0.0 111.309 177.511 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 177.6 -47.21 0.1 OUTLIER Glycine 0 N--CA 1.492 2.385 0 N-CA-C 116.694 1.438 . . . . 0.0 116.694 178.722 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -153.23 120.27 5.77 Favored 'General case' 0 N--CA 1.493 1.676 0 N-CA-C 105.058 -2.201 . . . . 0.0 105.058 179.925 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER -112.32 169.46 8.85 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 118.556 2.799 . . . . 0.0 118.556 -176.4 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -89.37 -115.99 0.06 Allowed 'General case' 0 CA--C 1.569 1.695 0 CA-C-N 111.677 -2.511 . . . . 0.0 109.379 179.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.468 ' O ' HD13 ' A' ' 142' ' ' LEU . 3.8 t -155.81 168.8 26.04 Favored 'General case' 0 N--CA 1.495 1.802 0 CA-C-N 122.766 2.53 . . . . 0.0 112.605 -179.238 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -41.02 -53.4 3.0 Favored 'General case' 0 CA--C 1.57 1.748 0 N-CA-C 116.727 2.121 . . . . 0.0 116.727 175.644 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.5 -41.4 98.79 Favored 'General case' 0 CA--C 1.569 1.707 0 C-N-CA 125.57 1.548 . . . . 0.0 113.741 178.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . 0.253 11.4 tp10 -62.17 -50.84 70.21 Favored 'General case' 0 CA--C 1.581 2.142 0 C-N-CA 123.969 0.908 . . . . 0.0 109.767 175.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.468 HD13 ' O ' ' A' ' 138' ' ' THR . 3.1 mp -57.03 -37.58 71.94 Favored 'General case' 0 CA--C 1.563 1.461 0 O-C-N 120.022 -1.674 . . . . 0.0 113.349 172.829 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.25 24.5 tp60 -69.24 -35.86 76.58 Favored 'General case' 0 CA--C 1.562 1.416 0 CA-C-O 116.802 -1.571 . . . . 0.0 110.746 -178.894 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 32.4 tt0 -65.78 -37.43 86.28 Favored 'General case' 0 CA--C 1.583 2.219 0 CA-C-N 121.008 1.731 . . . . 0.0 109.157 173.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 36.6 mmt -56.37 -43.92 79.66 Favored 'General case' 0 CA--C 1.586 2.352 0 CA-C-N 120.519 1.508 . . . . 0.0 110.055 172.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 9.1 mm -61.26 -55.59 23.56 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.51 0 C-N-CA 124.973 1.309 . . . . 0.0 110.202 173.769 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.44 -41.09 28.37 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 116.822 2.156 . . . . 0.0 116.822 -179.793 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 12.9 pt-20 -79.97 -36.61 35.85 Favored 'General case' 0 CA--C 1.588 2.44 0 N-CA-C 112.472 0.545 . . . . 0.0 112.472 176.035 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.18 -24.81 51.41 Favored 'General case' 0 CA--C 1.577 2.016 0 N-CA-C 116.625 2.083 . . . . 0.0 116.625 176.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 31.7 t0 -81.32 56.71 2.97 Favored 'General case' 0 CA--C 1.582 2.178 0 O-C-N 120.123 -1.61 . . . . 0.0 111.589 -179.545 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -58.99 -30.2 67.79 Favored 'General case' 0 N--CA 1.499 2.025 0 N-CA-C 118.402 2.742 . . . . 0.0 118.402 -177.466 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -73.63 -34.08 64.83 Favored 'General case' 0 CA--C 1.588 2.436 0 C-N-CA 123.246 0.618 . . . . 0.0 111.133 174.074 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 93.73 50.0 2.41 Favored Glycine 0 N--CA 1.491 2.363 0 N-CA-C 120.442 2.937 . . . . 0.0 120.442 177.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 17.4 m-20 -130.0 14.34 5.76 Favored 'General case' 0 CA--C 1.593 2.601 0 CA-C-O 117.778 -1.106 . . . . 0.0 113.408 177.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 78.99 15.56 80.41 Favored Glycine 0 N--CA 1.503 3.113 0 CA-C-N 123.923 3.056 . . . . 0.0 117.323 -177.665 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.9 pt-20 -159.86 148.86 17.65 Favored 'General case' 0 CA--C 1.571 1.779 0 CA-C-O 123.263 1.506 . . . . 0.0 111.179 -178.487 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 10.2 t -99.83 119.43 47.88 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.164 0 N-CA-C 106.23 -1.767 . . . . 0.0 106.23 -178.351 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 75.7 m -99.96 173.5 6.63 Favored 'General case' 0 CA--C 1.567 1.619 0 CA-C-O 122.603 1.192 . . . . 0.0 112.423 -179.156 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.3 mp0 -54.43 -47.65 72.59 Favored 'General case' 0 N--CA 1.501 2.118 0 CA-C-O 117.068 -1.444 . . . . 0.0 114.301 -178.771 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -58.16 -36.05 72.46 Favored 'General case' 0 N--CA 1.494 1.761 0 CA-C-N 122.225 2.284 . . . . 0.0 114.806 176.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.307 6.5 tp10 -76.33 -30.07 57.52 Favored 'General case' 0 CA--C 1.596 2.73 0 CA-C-N 122.611 2.46 . . . . 0.0 110.176 174.685 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.45 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -59.95 -57.09 14.38 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 121.963 2.165 . . . . 0.0 112.272 175.69 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.425 ' H ' ' HG ' ' A' ' 163' ' ' LEU . 1.9 pp -80.18 -45.98 17.14 Favored 'General case' 0 CA--C 1.571 1.778 0 CA-C-O 118.095 -0.955 . . . . 0.0 113.341 178.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -80.02 -21.2 43.81 Favored 'General case' 0 N--CA 1.497 1.902 0 N-CA-C 119.355 3.094 . . . . 0.0 119.355 178.483 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.0 tp . . . . . 0 N--CA 1.518 2.93 0 N-CA-C 118.255 2.687 . . . . 0.0 118.255 -178.971 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.515 2.787 0 N-CA-C 119.282 3.067 . . . . 0.0 119.282 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -47.73 -37.33 14.24 Favored Glycine 0 N--CA 1.491 2.359 0 N-CA-C 117.31 1.684 . . . . 0.0 117.31 178.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -61.53 -53.23 59.16 Favored 'General case' 0 CA--C 1.567 1.606 0 CA-C-O 118.193 -0.908 . . . . 0.0 110.471 176.798 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . 0.546 ' CZ ' HG22 ' A' ' 129' ' ' VAL . 8.0 t80 -60.54 -43.1 97.56 Favored 'General case' 0 CA--C 1.585 2.301 0 CA-C-N 119.484 1.038 . . . . 0.0 111.783 176.551 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 34.7 tp -62.25 -44.73 95.9 Favored 'General case' 0 CA--C 1.572 1.797 0 C-N-CA 123.687 0.795 . . . . 0.0 112.574 175.641 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.2 m -59.09 -42.42 90.43 Favored 'General case' 0 N--CA 1.499 1.984 0 C-N-CA 124.03 0.932 . . . . 0.0 112.545 177.02 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.6 t -60.17 -46.36 94.69 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.978 0 C-N-CA 124.686 1.194 . . . . 0.0 110.965 175.318 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.532 ' HG2' HG23 ' A' ' 129' ' ' VAL . 0.3 OUTLIER -65.95 -47.26 75.24 Favored 'General case' 0 CA--C 1.578 2.044 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 175.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 69.8 p -74.98 -59.95 2.51 Favored 'General case' 0 N--CA 1.501 2.093 0 C-N-CA 124.683 1.193 . . . . 0.0 113.023 -179.678 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.7 tp-100 -78.75 40.39 0.38 Allowed 'General case' 0 CA--C 1.574 1.877 0 N-CA-C 115.531 1.678 . . . . 0.0 115.531 -179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 58.6 tptt -76.36 -47.27 24.0 Favored 'General case' 0 CA--C 1.572 1.796 0 O-C-N 120.654 -1.278 . . . . 0.0 111.552 176.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.0 tpt -105.91 -75.43 0.63 Allowed 'General case' 0 CA--C 1.569 1.673 0 N-CA-C 106.69 -1.596 . . . . 0.0 106.69 176.594 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 16.8 t -158.85 80.58 0.79 Allowed 'General case' 0 CA--C 1.567 1.629 0 CA-C-N 119.525 1.057 . . . . 0.0 109.955 178.118 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 2.6 mm-40 -152.45 104.28 2.9 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-O 122.635 1.207 . . . . 0.0 110.259 179.688 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -53.71 148.44 9.88 Favored 'General case' 0 CA--C 1.575 1.922 0 N-CA-C 121.149 3.759 . . . . 0.0 121.149 -178.561 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 32.3 t70 -156.24 129.84 8.32 Favored 'General case' 0 CA--C 1.572 1.814 0 C-N-CA 124.216 1.006 . . . . 0.0 108.909 178.046 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 50.8 p -145.81 -73.88 0.23 Allowed 'General case' 0 N--CA 1.502 2.167 0 O-C-N 121.583 -0.698 . . . . 0.0 110.811 179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -142.88 -178.97 6.07 Favored 'General case' 0 CA--C 1.579 2.078 0 C-N-CA 124.65 1.18 . . . . 0.0 111.354 -179.829 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER 67.43 -47.37 0.49 Allowed 'General case' 0 N--CA 1.528 3.449 0 CA-C-N 121.428 1.922 . . . . 0.0 112.836 -174.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 -62.4 -22.3 66.04 Favored 'General case' 0 CA--C 1.561 1.386 0 CA-C-O 116.777 -1.582 . . . . 0.0 113.527 176.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.7 tt -53.95 -40.03 43.21 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.616 0 CA-C-N 122.866 2.575 . . . . 0.0 111.133 172.492 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.461 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 0.2 OUTLIER -69.91 -47.06 63.92 Favored 'General case' 0 CA--C 1.56 1.352 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 179.487 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.9 mtpm? -68.83 -41.08 79.05 Favored 'General case' 0 CA--C 1.564 1.499 0 CA-C-O 117.663 -1.161 . . . . 0.0 112.106 176.543 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.56 -43.07 86.02 Favored 'General case' 0 CA--C 1.557 1.23 0 CA-C-N 121.09 1.768 . . . . 0.0 113.168 177.245 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.473 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.5 t80 -69.44 -45.08 69.94 Favored 'General case' 0 N--CA 1.485 1.325 0 CA-C-N 120.68 1.582 . . . . 0.0 111.373 177.073 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -66.71 -32.27 73.46 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-N 120.529 1.513 . . . . 0.0 111.9 177.891 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 40.9 mt -76.41 -20.0 57.56 Favored 'General case' 0 CA--C 1.584 2.255 0 CA-C-N 121.897 2.135 . . . . 0.0 111.944 173.098 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.9 m-85 -63.26 -48.34 78.58 Favored 'General case' 0 N--CA 1.491 1.622 0 CA-C-N 122.333 2.333 . . . . 0.0 111.301 171.623 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 3.9 m-20 -74.9 81.65 2.16 Favored 'General case' 0 CA--C 1.591 2.552 0 N-CA-C 113.737 1.014 . . . . 0.0 113.737 -177.79 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 34.2 t70 -42.59 -21.05 0.02 OUTLIER 'General case' 0 N--CA 1.538 3.973 0 CA-C-N 122.601 2.455 . . . . 0.0 114.942 173.105 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -89.32 -22.16 22.78 Favored 'General case' 0 CA--C 1.577 2.015 0 O-C-N 120.148 -1.595 . . . . 0.0 112.66 178.199 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 76.55 15.66 2.11 Favored 'General case' 0 CA--C 1.582 2.176 0 CA-C-N 120.916 1.689 . . . . 0.0 115.06 -179.027 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.4 t -85.69 -28.37 24.72 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 125.532 1.533 . . . . 0.0 110.929 177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 78.55 71.78 1.21 Allowed Glycine 0 C--N 1.362 1.998 0 N-CA-C 118.45 2.14 . . . . 0.0 118.45 177.494 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -160.04 109.93 1.83 Allowed 'General case' 0 CA--C 1.571 1.788 0 C-N-CA 124.263 1.025 . . . . 0.0 109.572 178.579 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.5 mp -110.18 131.86 60.05 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.146 0 CA-C-O 122.933 1.349 . . . . 0.0 109.101 178.527 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 80.0 p -107.99 174.86 5.69 Favored 'General case' 0 CA--C 1.58 2.134 0 CA-C-O 124.246 1.974 . . . . 0.0 107.487 174.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 27.0 t80 -50.89 -40.7 57.28 Favored 'General case' 0 N--CA 1.509 2.511 0 N-CA-C 117.214 2.302 . . . . 0.0 117.214 179.556 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 9.4 tptm -59.67 -46.01 90.35 Favored 'General case' 0 CA--C 1.58 2.116 0 C-N-CA 124.128 0.971 . . . . 0.0 113.476 179.509 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -30.22 68.0 Favored 'General case' 0 N--CA 1.511 2.62 0 O-C-N 120.523 -1.361 . . . . 0.0 109.418 175.086 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.475 ' HA ' HG13 ' A' ' 129' ' ' VAL . 73.2 mt -58.64 -36.81 74.7 Favored 'General case' 0 CA--C 1.6 2.868 0 CA-C-N 122.009 2.186 . . . . 0.0 110.342 171.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 86.4 mttt -60.69 -45.96 92.17 Favored 'General case' 0 N--CA 1.503 2.191 0 C-N-CA 124.598 1.159 . . . . 0.0 109.828 172.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 55.2 mmm-85 -54.29 -49.16 70.27 Favored 'General case' 0 N--CA 1.507 2.418 0 CA-C-N 119.517 1.053 . . . . 0.0 113.189 174.584 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.583 HG23 HD12 ' A' ' 133' ' ' LEU . 0.4 OUTLIER -58.98 -45.45 92.12 Favored 'Isoleucine or valine' 0 N--CA 1.519 2.999 0 C-N-CA 124.194 0.998 . . . . 0.0 111.561 177.117 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.78 -45.36 82.18 Favored 'General case' 0 CA--C 1.575 1.938 0 CA-C-N 118.726 0.693 . . . . 0.0 112.449 175.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.8 mtpp -67.73 -52.37 38.41 Favored 'General case' 0 CA--C 1.577 1.981 0 N-CA-C 115.802 1.778 . . . . 0.0 115.802 176.443 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -79.98 -19.99 46.54 Favored 'General case' 0 N--CA 1.49 1.552 1 N-CA-C 122.056 4.095 . . . . 0.0 122.056 -174.444 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.583 HD12 HG23 ' A' ' 129' ' ' VAL . 14.5 mt -90.44 -87.87 0.18 Allowed 'General case' 0 CA--C 1.553 1.085 0 N-CA-C 116.925 2.195 . . . . 0.0 116.925 -177.074 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -125.23 -37.75 0.52 Allowed Glycine 0 N--CA 1.49 2.262 0 N-CA-C 117.605 1.802 . . . . 0.0 117.605 -177.423 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.6 pt-20 -157.36 130.65 7.82 Favored 'General case' 0 N--CA 1.502 2.128 0 CA-C-N 119.898 1.849 . . . . 0.0 113.804 -179.854 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 17.8 t-20 -82.37 103.33 11.86 Favored 'General case' 0 CA--C 1.565 1.534 0 O-C-N 120.932 -1.105 . . . . 0.0 113.76 -179.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.9 mm? -76.12 177.4 7.17 Favored 'General case' 0 CA--C 1.571 1.758 0 CA-C-O 122.115 0.96 . . . . 0.0 112.992 177.863 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.4 t -96.4 157.65 15.8 Favored 'General case' 0 N--CA 1.489 1.478 0 CA-C-O 122.887 1.327 . . . . 0.0 110.063 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.7 p-10 -41.49 -51.68 3.81 Favored 'General case' 0 CA--C 1.572 1.82 0 N-CA-C 117.39 2.367 . . . . 0.0 117.39 177.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -60.65 -47.17 87.44 Favored 'General case' 0 CA--C 1.573 1.838 0 C-N-CA 125.454 1.502 . . . . 0.0 112.668 178.603 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -58.11 -52.18 66.64 Favored 'General case' 0 CA--C 1.581 2.146 0 C-N-CA 124.143 0.977 . . . . 0.0 111.883 176.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 15.8 mt -59.53 -34.39 72.58 Favored 'General case' 0 CA--C 1.569 1.687 0 O-C-N 120.504 -1.372 . . . . 0.0 112.597 174.302 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 30.2 tp60 -68.87 -37.25 78.95 Favored 'General case' 0 CA--C 1.565 1.544 0 CA-C-O 117.421 -1.276 . . . . 0.0 110.42 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 29.4 tt0 -63.8 -36.58 84.36 Favored 'General case' 0 CA--C 1.587 2.391 0 CA-C-N 120.5 1.5 . . . . 0.0 109.371 172.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 37.7 mmt -59.92 -42.37 93.76 Favored 'General case' 0 CA--C 1.588 2.44 0 O-C-N 119.908 -1.745 . . . . 0.0 110.188 172.469 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 2.6 mm -59.66 -56.11 19.47 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.73 0 C-N-CA 124.462 1.105 . . . . 0.0 109.123 173.018 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -47.53 -41.13 20.48 Favored 'General case' 0 N--CA 1.485 1.295 0 N-CA-C 116.849 2.166 . . . . 0.0 116.849 -178.566 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.7 pp20? -76.17 -48.3 21.01 Favored 'General case' 0 CA--C 1.583 2.237 0 N-CA-C 110.04 -0.355 . . . . 0.0 110.04 174.774 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -59.81 -37.78 80.14 Favored 'General case' 0 CA--C 1.572 1.791 0 N-CA-C 117.527 2.417 . . . . 0.0 117.527 178.34 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 29.2 t70 -70.55 53.02 0.14 Allowed 'General case' 0 CA--C 1.589 2.466 0 C-N-CA 126.508 1.923 . . . . 0.0 114.427 -179.739 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.5 mpt_? -50.93 -30.1 13.91 Favored 'General case' 0 CA--C 1.573 1.845 0 O-C-N 118.875 -2.391 . . . . 0.0 116.435 178.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 12.2 t70 -71.19 -42.93 68.37 Favored 'General case' 0 CA--C 1.586 2.34 0 CA-C-O 117.832 -1.08 . . . . 0.0 110.832 175.169 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 119.6 -8.31 12.0 Favored Glycine 0 N--CA 1.496 2.635 1 N-CA-C 124.657 4.623 . . . . 0.0 124.657 176.088 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 63.6 m-20 -87.03 -27.47 23.18 Favored 'General case' 0 N--CA 1.506 2.348 0 CA-C-N 122.912 3.356 . . . . 0.0 115.697 179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 129.13 26.4 0.91 Allowed Glycine 0 CA--C 1.553 2.42 0 N-CA-C 117.142 1.617 . . . . 0.0 117.142 -179.7 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -160.01 148.43 17.13 Favored 'General case' 0 CA--C 1.576 1.978 0 CA-C-N 118.816 1.308 . . . . 0.0 108.687 -178.493 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.7 t -99.87 122.23 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.206 0 O-C-N 120.227 -1.546 . . . . 0.0 109.644 -173.915 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 87.1 p -99.93 171.55 7.78 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-O 122.898 1.333 . . . . 0.0 113.579 -179.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.256 0.0 OUTLIER -54.98 -44.78 74.74 Favored 'General case' 0 N--CA 1.493 1.691 0 CA-C-O 117.254 -1.355 . . . . 0.0 113.247 177.178 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.408 ' HA ' HD11 ' A' ' 163' ' ' LEU . 0.0 OUTLIER -63.44 -37.05 85.78 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 121.757 2.072 . . . . 0.0 113.001 178.018 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.4 pt-20 -79.27 -19.88 49.46 Favored 'General case' 0 CA--C 1.58 2.119 0 CA-C-N 121.486 1.948 . . . . 0.0 113.12 175.317 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.473 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.0 OUTLIER -66.42 -57.06 8.2 Favored 'General case' 0 CA--C 1.554 1.113 0 CA-C-N 121.258 1.844 . . . . 0.0 109.92 174.22 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.509 HD12 ' H ' ' A' ' 164' ' ' ARG . 0.4 OUTLIER -80.13 -56.7 4.04 Favored 'General case' 0 CA--C 1.575 1.911 0 N-CA-C 113.736 1.013 . . . . 0.0 113.736 -179.98 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.509 ' H ' HD12 ' A' ' 163' ' ' LEU . 0.4 OUTLIER -80.12 -19.83 46.42 Favored 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 118.726 2.862 . . . . 0.0 118.726 -179.372 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.257 5.9 tp . . . . . 0 N--CA 1.513 2.711 0 N-CA-C 118.141 2.645 . . . . 0.0 118.141 -177.503 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 14.5 m-30 . . . . . 0 N--CA 1.504 2.26 0 N-CA-C 115.352 1.612 . . . . 0.0 115.352 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -46.75 -40.49 12.05 Favored Glycine 0 N--CA 1.501 3.015 0 CA-C-N 121.997 2.18 . . . . 0.0 117.044 178.036 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -65.31 -51.2 62.18 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 124.799 1.24 . . . . 0.0 110.367 176.231 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 12.3 t80 -59.85 -39.44 85.17 Favored 'General case' 0 N--CA 1.505 2.286 0 C-N-CA 124.355 1.062 . . . . 0.0 111.659 173.835 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 41.5 tp -64.94 -52.8 54.37 Favored 'General case' 0 CA--C 1.562 1.435 0 O-C-N 120.617 -1.302 . . . . 0.0 110.879 176.306 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.631 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 6.0 m -56.33 -40.54 74.58 Favored 'General case' 0 N--CA 1.499 2.005 0 CA-C-N 119.522 1.056 . . . . 0.0 112.777 176.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -58.74 -45.03 91.33 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.93 0 C-N-CA 124.576 1.151 . . . . 0.0 112.225 175.739 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.454 ' SD ' ' O ' ' A' ' 135' ' ' GLU . 0.0 OUTLIER -72.57 -44.9 61.45 Favored 'General case' 0 CA--C 1.587 2.383 0 O-C-N 121.707 -0.621 . . . . 0.0 112.435 175.313 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.631 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 40.0 p -57.2 -46.54 82.78 Favored 'General case' 0 N--CA 1.505 2.285 0 C-N-CA 126.511 1.924 . . . . 0.0 114.134 178.902 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 4.8 pp0? -53.24 -26.66 18.75 Favored 'General case' 0 N--CA 1.502 2.163 0 N-CA-C 116.4 2.0 . . . . 0.0 116.4 178.128 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -104.22 10.11 35.84 Favored 'General case' 0 CA--C 1.58 2.13 0 N-CA-C 114.574 1.324 . . . . 0.0 114.574 176.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 21.2 mmt -139.58 -72.34 0.38 Allowed 'General case' 0 N--CA 1.494 1.771 0 CA-C-N 120.917 1.69 . . . . 0.0 112.643 -179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 43.8 m -163.5 179.1 7.5 Favored 'General case' 0 N--CA 1.502 2.128 0 O-C-N 120.581 -1.324 . . . . 0.0 111.665 -178.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER 68.36 163.12 0.21 Allowed 'General case' 0 N--CA 1.503 2.217 0 N-CA-C 115.4 1.63 . . . . 0.0 115.4 178.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -162.92 -168.58 1.8 Allowed 'General case' 0 CA--C 1.582 2.176 0 O-C-N 120.81 -1.181 . . . . 0.0 111.545 -179.314 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 40.3 t0 71.45 160.12 0.22 Allowed 'General case' 0 CA--C 1.581 2.138 0 N-CA-C 116.084 1.883 . . . . 0.0 116.084 178.288 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 19.5 m -124.37 129.07 50.04 Favored 'General case' 0 N--CA 1.495 1.815 0 C-N-CA 124.85 1.26 . . . . 0.0 109.323 179.88 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.266 0.0 OUTLIER 100.32 152.84 0.01 OUTLIER 'General case' 0 N--CA 1.512 2.647 0 C-N-CA 129.097 2.959 . . . . 0.0 109.379 -177.552 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 68.72 -58.27 0.49 Allowed 'General case' 0 N--CA 1.536 3.847 0 CA-C-N 123.406 2.821 . . . . 0.0 110.295 -173.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -48.1 -42.37 28.75 Favored 'General case' 0 CA--C 1.568 1.635 0 C-N-CA 127.962 2.505 . . . . 0.0 112.826 173.74 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.403 HG23 HD23 ' A' ' 107' ' ' LEU . 6.9 tt -61.7 -45.09 99.41 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.701 0 CA-C-N 118.521 0.6 . . . . 0.0 111.978 177.744 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.403 HD23 HG23 ' A' ' 106' ' ' ILE . 5.5 mt -70.56 -41.33 72.6 Favored 'General case' 0 CA--C 1.557 1.244 0 N-CA-C 113.057 0.762 . . . . 0.0 113.057 178.213 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 14.7 mptt -67.5 -43.88 79.8 Favored 'General case' 0 CA--C 1.567 1.631 0 CA-C-O 117.209 -1.377 . . . . 0.0 111.765 175.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.69 -43.47 93.38 Favored 'General case' 0 N--CA 1.487 1.406 0 CA-C-N 121.648 2.022 . . . . 0.0 114.432 177.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.485 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 5.1 t80 -69.82 -42.68 73.35 Favored 'General case' 0 N--CA 1.492 1.649 0 CA-C-N 120.058 1.299 . . . . 0.0 111.77 176.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 31.6 mmtt -63.9 -37.73 88.46 Favored 'General case' 0 CA--C 1.578 2.039 0 CA-C-O 116.998 -1.477 . . . . 0.0 110.803 179.107 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.8 pp -69.25 -29.16 67.01 Favored 'General case' 0 CA--C 1.581 2.148 0 CA-C-N 122.26 2.3 . . . . 0.0 112.068 173.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -55.35 -39.8 70.48 Favored 'General case' 0 CA--C 1.583 2.215 0 C-N-CA 124.627 1.171 . . . . 0.0 112.589 173.085 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -99.37 80.74 2.44 Favored 'General case' 0 CA--C 1.594 2.641 0 N-CA-C 106.566 -1.642 . . . . 0.0 106.566 177.176 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -51.73 -15.99 0.58 Allowed 'General case' 0 N--CA 1.513 2.721 0 CA-C-N 123.785 2.993 . . . . 0.0 116.901 179.414 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.8 m-20 -85.55 3.01 42.49 Favored 'General case' 0 CA--C 1.591 2.548 0 CA-C-N 121.997 2.18 . . . . 0.0 111.252 175.264 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . 0.262 35.1 tt0 69.3 -1.45 2.17 Favored 'General case' 0 N--CA 1.505 2.297 0 N-CA-C 118.599 2.814 . . . . 0.0 118.599 177.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 17.7 p -68.16 -42.36 80.17 Favored 'General case' 0 N--CA 1.49 1.541 0 C-N-CA 125.498 1.519 . . . . 0.0 110.755 175.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.87 69.18 1.32 Allowed Glycine 0 C--N 1.348 1.209 0 CA-C-O 118.762 -1.021 . . . . 0.0 115.348 179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.8 OUTLIER -139.43 109.94 6.63 Favored 'General case' 0 CA--C 1.568 1.643 0 CA-C-N 118.062 0.931 . . . . 0.0 110.87 178.572 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.9 mp -116.39 133.24 63.58 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.965 0 CA-C-O 122.834 1.302 . . . . 0.0 108.987 179.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.6 p -112.16 167.87 10.06 Favored 'General case' 0 CA--C 1.578 2.055 0 CA-C-N 113.736 -1.575 . . . . 0.0 107.917 173.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -49.47 -43.48 45.12 Favored 'General case' 0 N--CA 1.522 3.161 0 N-CA-C 115.854 1.798 . . . . 0.0 115.854 179.491 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 10.7 mtmt -54.54 -43.68 72.18 Favored 'General case' 0 CA--C 1.575 1.941 0 CA-C-N 114.134 -1.394 . . . . 0.0 113.436 179.06 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 3.4 m-80 -69.53 -34.65 74.56 Favored 'General case' 0 CA--C 1.586 2.345 0 CA-C-O 117.253 -1.356 . . . . 0.0 109.239 174.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 76.2 mt -53.52 -44.92 69.51 Favored 'General case' 0 N--CA 1.51 2.548 0 CA-C-N 122.262 2.301 . . . . 0.0 110.021 171.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 5.9 mmmm -56.58 -49.76 73.94 Favored 'General case' 0 N--CA 1.502 2.145 0 CA-C-N 119.565 1.075 . . . . 0.0 111.328 173.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -56.87 -52.0 66.84 Favored 'General case' 0 N--CA 1.498 1.953 0 CA-C-O 119.01 -0.519 . . . . 0.0 111.766 175.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 42.7 t -65.57 -32.37 57.89 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.537 0 C-N-CA 124.142 0.977 . . . . 0.0 112.898 178.243 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -58.39 -55.56 33.5 Favored 'General case' 0 CA--C 1.565 1.549 0 CA-C-O 118.153 -0.927 . . . . 0.0 109.742 174.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -72.51 -22.85 60.97 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-N 119.984 1.265 . . . . 0.0 114.394 175.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -79.62 -32.44 41.77 Favored 'General case' 0 N--CA 1.497 1.888 0 N-CA-C 117.135 2.272 . . . . 0.0 117.135 178.849 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.0 mt -70.73 -77.98 0.08 Allowed 'General case' 0 CA--C 1.554 1.115 0 CA-C-N 119.992 1.269 . . . . 0.0 112.967 -178.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 178.96 -37.59 0.08 OUTLIER Glycine 0 N--CA 1.491 2.353 0 N-CA-C 120.191 2.836 . . . . 0.0 120.191 179.416 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.454 ' O ' ' SD ' ' A' ' 93' ' ' MET . 35.1 tt0 -144.5 95.57 2.73 Favored 'General case' 0 N--CA 1.501 2.087 0 CA-C-N 119.273 1.537 . . . . 0.0 109.17 -178.869 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.3 p-10 -105.88 169.4 8.51 Favored 'General case' 0 N--CA 1.487 1.421 0 N-CA-C 117.857 2.54 . . . . 0.0 117.857 -176.683 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -95.58 -122.76 0.11 Allowed 'General case' 0 CA--C 1.575 1.914 0 CA-C-N 113.704 -1.589 . . . . 0.0 110.496 179.093 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.49 ' O ' HD13 ' A' ' 142' ' ' LEU . 5.8 t -141.53 170.53 15.55 Favored 'General case' 0 CA--C 1.56 1.329 0 CA-C-O 124.627 2.156 . . . . 0.0 108.639 179.853 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.7 p-10 -40.04 -54.15 2.29 Favored 'General case' 0 CA--C 1.577 2.016 0 CA-C-N 112.113 -2.312 . . . . 0.0 116.232 176.139 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -59.44 -43.85 93.05 Favored 'General case' 0 CA--C 1.572 1.794 0 C-N-CA 125.961 1.705 . . . . 0.0 113.011 178.375 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 9.1 mm-40 -60.17 -49.84 76.06 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-N 118.704 0.684 . . . . 0.0 110.488 175.033 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.49 HD13 ' O ' ' A' ' 138' ' ' THR . 2.8 mp -56.88 -41.0 77.26 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-N 120.363 1.438 . . . . 0.0 113.433 174.142 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.503 HE21 ' HB ' ' A' ' 146' ' ' ILE . 6.2 tp60 -64.68 -34.6 78.68 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-N 119.747 1.158 . . . . 0.0 110.915 177.446 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 11.1 tp10 -64.36 -39.29 93.59 Favored 'General case' 0 CA--C 1.588 2.43 0 CA-C-N 120.537 1.517 . . . . 0.0 109.694 171.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 25.0 mmt -59.3 -35.09 73.13 Favored 'General case' 0 CA--C 1.581 2.135 0 O-C-N 120.915 -1.115 . . . . 0.0 111.282 173.413 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.503 ' HB ' HE21 ' A' ' 143' ' ' GLN . 9.7 mm -66.81 -58.8 5.13 Favored 'Isoleucine or valine' 0 CA--C 1.559 1.315 0 CA-C-O 117.185 -1.388 . . . . 0.0 108.195 173.366 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -51.31 -48.24 62.38 Favored 'General case' 0 N--CA 1.504 2.259 0 CA-C-N 120.173 1.351 . . . . 0.0 112.238 179.523 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.0 pp20? -60.58 -39.08 86.74 Favored 'General case' 0 CA--C 1.589 2.461 0 CA-C-N 120.38 1.445 . . . . 0.0 113.286 174.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -71.22 -47.09 59.35 Favored 'General case' 0 CA--C 1.583 2.238 0 N-CA-C 115.791 1.774 . . . . 0.0 115.791 175.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -75.94 35.3 0.13 Allowed 'General case' 0 CA--C 1.575 1.906 0 N-CA-C 117.255 2.317 . . . . 0.0 117.255 -178.858 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -55.38 -30.33 60.16 Favored 'General case' 0 CA--C 1.565 1.55 0 N-CA-C 118.659 2.837 . . . . 0.0 118.659 -175.636 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -123.94 39.72 3.9 Favored 'General case' 0 CA--C 1.589 2.48 0 C-N-CA 123.816 0.846 . . . . 0.0 109.389 173.354 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -127.89 -91.07 0.7 Allowed Glycine 0 C--N 1.371 2.524 0 CA-C-O 116.804 -2.109 . . . . 0.0 110.913 178.35 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 21.2 t70 168.16 -48.6 0.01 OUTLIER 'General case' 0 N--CA 1.509 2.488 0 CA-C-N 120.055 1.928 . . . . 0.0 110.953 -179.051 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . -169.1 10.76 0.05 OUTLIER Glycine 0 CA--C 1.562 2.983 0 N-CA-C 119.447 2.539 . . . . 0.0 119.447 -179.097 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -155.74 139.8 16.42 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 103.352 -2.832 . . . . 0.0 103.352 177.092 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.73 122.22 51.32 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.004 0 O-C-N 120.344 -1.472 . . . . 0.0 113.14 -169.794 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.432 ' H ' ' CD ' ' A' ' 161' ' ' GLU . 8.9 t -100.01 167.32 10.56 Favored 'General case' 0 CA--C 1.57 1.729 0 CA-C-O 123.194 1.473 . . . . 0.0 108.714 176.019 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.307 9.0 pt-20 -53.87 -39.18 65.47 Favored 'General case' 0 N--CA 1.49 1.548 0 CA-C-O 116.059 -1.924 . . . . 0.0 116.034 -177.35 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -61.82 -46.33 89.94 Favored 'General case' 0 N--CA 1.497 1.896 0 CA-C-N 123.63 2.923 . . . . 0.0 114.263 176.367 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.432 ' CD ' ' H ' ' A' ' 158' ' ' SER . 10.4 pm0 -70.12 -23.1 62.97 Favored 'General case' 0 CA--C 1.579 2.065 0 CA-C-N 122.246 2.294 . . . . 0.0 112.552 176.047 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -65.89 -57.65 7.4 Favored 'General case' 0 N--CA 1.479 0.995 0 C-N-CA 125.444 1.498 . . . . 0.0 113.577 175.694 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 2.8 pp -80.01 -35.26 37.59 Favored 'General case' 0 CA--C 1.568 1.646 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 -178.516 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 9.1 mtp-105 -75.96 -58.37 3.32 Favored 'General case' 0 CA--C 1.566 1.594 0 CA-C-N 121.392 1.905 . . . . 0.0 111.583 177.307 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.262 9.5 tp . . . . . 0 N--CA 1.51 2.556 0 N-CA-C 118.371 2.73 . . . . 0.0 118.371 -179.783 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 39.8 m-85 . . . . . 0 N--CA 1.515 2.792 0 N-CA-C 116.017 1.858 . . . . 0.0 116.017 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -48.88 -43.57 30.73 Favored Glycine 0 N--CA 1.5 2.963 0 CA-C-N 121.121 1.782 . . . . 0.0 115.968 176.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 38.8 t70 -61.3 -46.93 88.27 Favored 'General case' 0 CA--C 1.581 2.165 0 C-N-CA 124.314 1.046 . . . . 0.0 111.371 175.128 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 71.9 t80 -58.31 -37.38 74.97 Favored 'General case' 0 N--CA 1.504 2.237 0 O-C-N 120.75 -1.219 . . . . 0.0 112.208 173.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.0 mt -66.12 -53.54 36.59 Favored 'General case' 0 CA--C 1.566 1.587 0 C-N-CA 124.496 1.118 . . . . 0.0 110.443 175.32 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 13.0 m -54.85 -42.75 72.37 Favored 'General case' 0 N--CA 1.506 2.332 0 N-CA-C 113.006 0.743 . . . . 0.0 113.006 175.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.29 -44.34 95.51 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.15 0 C-N-CA 125.533 1.533 . . . . 0.0 112.259 175.707 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.416 ' HG2' ' CD1' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -66.2 -43.5 86.59 Favored 'General case' 0 N--CA 1.491 1.62 0 C-N-CA 124.804 1.241 . . . . 0.0 114.34 177.482 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 70.8 p -68.71 -57.64 5.37 Favored 'General case' 0 CA--C 1.557 1.215 0 N-CA-C 105.741 -1.948 . . . . 0.0 105.741 173.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER 62.76 -12.0 0.08 Allowed 'General case' 0 N--CA 1.5 2.059 0 N-CA-C 115.587 1.699 . . . . 0.0 115.587 -177.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.4 mptt -139.35 89.51 2.34 Favored 'General case' 0 CA--C 1.56 1.342 0 N-CA-C 104.894 -2.261 . . . . 0.0 104.894 -178.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . 0.256 1.9 ptp 89.32 116.64 0.03 OUTLIER 'General case' 0 N--CA 1.499 2.024 0 C-N-CA 126.25 1.82 . . . . 0.0 107.254 -176.736 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.0 t -69.28 -44.04 72.65 Favored 'General case' 0 N--CA 1.491 1.587 0 N-CA-C 117.544 2.424 . . . . 0.0 117.544 -178.705 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . 0.258 5.4 pt-20 59.88 -49.27 0.08 Allowed 'General case' 0 N--CA 1.508 2.462 0 N-CA-C 116.283 1.957 . . . . 0.0 116.283 -178.233 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 10.4 mptt -114.17 149.8 35.16 Favored 'General case' 0 CA--C 1.574 1.871 0 C-N-CA 125.179 1.392 . . . . 0.0 108.755 177.177 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 55.8 m-20 -98.89 -101.2 0.22 Allowed 'General case' 0 CA--C 1.575 1.926 0 O-C-N 121.154 -0.967 . . . . 0.0 109.175 -179.565 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.8 t -166.89 39.19 0.04 OUTLIER 'General case' 0 N--CA 1.507 2.408 0 C-N-CA 126.002 1.721 . . . . 0.0 111.613 178.02 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.48 147.5 23.47 Favored 'General case' 0 CA--C 1.584 2.272 0 CA-C-O 115.506 -2.188 . . . . 0.0 111.911 -179.597 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 65.3 -61.6 0.23 Allowed 'General case' 0 N--CA 1.535 3.815 0 CA-C-N 125.523 3.783 . . . . 0.0 111.415 -175.277 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -51.43 -30.77 20.55 Favored 'General case' 0 CA--C 1.56 1.352 0 C-N-CA 128.416 2.686 . . . . 0.0 112.198 173.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 3.8 tt -55.26 -41.2 59.92 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.61 0 CA-C-N 121.94 2.154 . . . . 0.0 110.844 172.755 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.453 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 2.7 mp -68.27 -45.44 73.12 Favored 'General case' 0 CA--C 1.561 1.38 0 CA-C-O 118.937 -0.554 . . . . 0.0 112.255 178.919 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -65.17 -46.32 81.29 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-O 117.854 -1.069 . . . . 0.0 111.202 174.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -59.5 -45.94 90.25 Favored 'General case' 0 N--CA 1.483 1.222 0 CA-C-N 120.618 1.554 . . . . 0.0 114.231 177.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.444 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.1 t80 -67.53 -45.39 75.85 Favored 'General case' 0 N--CA 1.487 1.385 0 CA-C-N 120.559 1.527 . . . . 0.0 111.375 176.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.66 -33.4 75.81 Favored 'General case' 0 CA--C 1.571 1.769 0 CA-C-O 116.857 -1.544 . . . . 0.0 113.343 -179.858 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.2 pp -74.57 -28.66 61.03 Favored 'General case' 0 CA--C 1.573 1.844 0 CA-C-N 122.16 2.254 . . . . 0.0 111.55 171.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.64 -38.98 72.9 Favored 'General case' 0 CA--C 1.57 1.735 0 CA-C-N 119.381 0.992 . . . . 0.0 112.945 172.668 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 31.2 m-20 -73.51 60.01 0.63 Allowed 'General case' 0 CA--C 1.584 2.256 0 N-CA-C 116.237 1.94 . . . . 0.0 116.237 179.584 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 24.4 p-10 -56.52 -15.95 5.17 Favored 'General case' 0 CA--C 1.608 3.207 0 O-C-N 118.802 -2.436 . . . . 0.0 113.322 171.816 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 57.0 p30 -87.36 -17.1 33.13 Favored 'General case' 0 CA--C 1.576 1.956 0 C-N-CA 127.027 2.131 . . . . 0.0 113.858 176.24 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 37.3 tt0 68.98 18.81 8.35 Favored 'General case' 0 N--CA 1.505 2.303 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -178.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 72.7 p -84.5 -39.65 18.6 Favored 'General case' 0 N--CA 1.485 1.307 0 C-N-CA 126.059 1.744 . . . . 0.0 110.92 177.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.42 43.29 6.24 Favored Glycine 0 CA--C 1.54 1.618 0 N-CA-C 116.366 1.306 . . . . 0.0 116.366 -178.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -152.14 119.31 5.89 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-N 117.941 0.87 . . . . 0.0 110.419 179.746 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.435 HD13 ' CD2' ' A' ' 110' ' ' PHE . 1.1 mp -99.97 120.81 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.97 0 N-CA-C 105.111 -2.181 . . . . 0.0 105.111 177.056 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 59.6 p -99.96 163.25 12.52 Favored 'General case' 0 CA--C 1.583 2.237 0 CA-C-N 111.66 -2.518 . . . . 0.0 107.277 175.006 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 32.6 t80 -52.73 -39.26 61.94 Favored 'General case' 0 N--CA 1.512 2.643 0 O-C-N 119.888 -1.757 . . . . 0.0 115.198 178.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -62.6 -39.78 94.85 Favored 'General case' 0 CA--C 1.581 2.154 0 O-C-N 121.015 -1.053 . . . . 0.0 112.235 178.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -66.46 -35.97 81.61 Favored 'General case' 0 CA--C 1.581 2.149 0 O-C-N 120.455 -1.403 . . . . 0.0 109.222 174.096 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 96.5 mt -52.26 -45.78 65.56 Favored 'General case' 0 N--CA 1.503 2.22 0 CA-C-N 120.855 1.662 . . . . 0.0 110.03 172.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 59.7 mttt -56.84 -48.73 77.37 Favored 'General case' 0 N--CA 1.496 1.851 0 C-N-CA 124.511 1.124 . . . . 0.0 111.502 173.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 58.9 mtm180 -52.62 -55.11 24.72 Favored 'General case' 0 N--CA 1.503 2.223 0 CA-C-N 119.401 1.001 . . . . 0.0 111.904 175.935 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 33.1 t -67.18 -37.28 78.9 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.259 0 CA-C-O 118.584 -0.722 . . . . 0.0 112.733 179.307 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.03 -46.08 82.63 Favored 'General case' 0 CA--C 1.568 1.668 0 CA-C-N 119.88 1.218 . . . . 0.0 113.544 176.083 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -79.7 -27.25 40.72 Favored 'General case' 0 CA--C 1.578 2.026 0 CA-C-O 117.841 -1.076 . . . . 0.0 113.526 175.004 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -80.11 -26.38 39.54 Favored 'General case' 0 N--CA 1.497 1.893 0 N-CA-C 116.783 2.142 . . . . 0.0 116.783 177.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.416 ' CD1' ' HG2' ' A' ' 93' ' ' MET . 10.3 mt -64.07 -73.56 0.12 Allowed 'General case' 0 CA--C 1.556 1.183 0 N-CA-C 114.99 1.478 . . . . 0.0 114.99 -179.09 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -173.58 -39.78 0.04 OUTLIER Glycine 0 N--CA 1.49 2.243 0 N-CA-C 117.853 1.901 . . . . 0.0 117.853 -179.684 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.8 tt0 -142.65 104.29 4.35 Favored 'General case' 0 N--CA 1.487 1.418 0 CA-C-N 119.348 1.574 . . . . 0.0 107.808 -178.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -69.96 136.92 51.02 Favored 'General case' 0 CA--C 1.567 1.624 0 N-CA-C 113.792 1.034 . . . . 0.0 113.792 -178.593 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 8.4 tp -95.39 -114.75 0.12 Allowed 'General case' 0 N--CA 1.493 1.678 0 CA-C-O 118.079 -0.963 . . . . 0.0 109.161 -179.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 14.9 t -152.28 158.2 42.45 Favored 'General case' 0 N--CA 1.492 1.638 0 CA-C-N 121.735 2.061 . . . . 0.0 111.958 178.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -49.11 -45.66 43.72 Favored 'General case' 0 N--CA 1.512 2.675 0 CA-C-N 113.768 -1.56 . . . . 0.0 113.897 -179.13 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.8 -46.69 88.45 Favored 'General case' 0 CA--C 1.578 2.032 0 C-N-CA 124.842 1.257 . . . . 0.0 113.326 177.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 23.1 mm-40 -57.52 -50.24 73.72 Favored 'General case' 0 N--CA 1.505 2.283 0 C-N-CA 123.964 0.906 . . . . 0.0 112.213 176.326 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 11.3 mt -56.86 -40.65 76.54 Favored 'General case' 0 CA--C 1.574 1.883 0 C-N-CA 124.063 0.945 . . . . 0.0 112.195 175.138 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.42 HE22 HG21 ' A' ' 146' ' ' ILE 0.257 0.6 OUTLIER -67.89 -36.54 80.39 Favored 'General case' 0 C--N 1.372 1.556 0 CA-C-O 117.027 -1.464 . . . . 0.0 111.728 179.023 . . . . . . . . 4 4 . 1 . 009 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 33.0 tt0 -62.69 -37.57 86.99 Favored 'General case' 0 CA--C 1.586 2.349 0 CA-C-N 121.578 1.99 . . . . 0.0 109.647 172.702 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.7 ttp -56.02 -44.92 79.18 Favored 'General case' 0 CA--C 1.587 2.383 0 O-C-N 120.237 -1.539 . . . . 0.0 111.164 172.65 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.42 HG21 HE22 ' A' ' 143' ' ' GLN . 24.4 mm -60.45 -55.0 27.27 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.397 0 C-N-CA 124.683 1.193 . . . . 0.0 109.658 173.332 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.36 -41.64 29.27 Favored 'General case' 0 CA--C 1.57 1.718 0 N-CA-C 116.015 1.857 . . . . 0.0 116.015 179.386 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 8.4 pt-20 -70.65 -43.32 69.43 Favored 'General case' 0 CA--C 1.588 2.439 0 N-CA-C 112.459 0.54 . . . . 0.0 112.459 174.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.44 -27.64 56.29 Favored 'General case' 0 CA--C 1.574 1.898 0 N-CA-C 119.852 3.278 . . . . 0.0 119.852 179.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.302 28.0 t70 -87.27 29.24 0.86 Allowed 'General case' 0 CA--C 1.581 2.147 0 N-CA-C 117.279 2.325 . . . . 0.0 117.279 -177.869 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -51.47 -40.12 58.84 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 119.15 3.019 . . . . 0.0 119.15 -176.171 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -92.27 8.93 36.03 Favored 'General case' 0 CA--C 1.585 2.292 0 CA-C-O 116.69 -1.624 . . . . 0.0 113.747 178.139 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -143.06 -151.51 5.5 Favored Glycine 0 CA--C 1.571 3.567 0 CA-C-N 124.291 3.223 . . . . 0.0 112.938 -178.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 18.7 m-20 -123.8 -2.45 8.3 Favored 'General case' 0 CA--C 1.593 2.622 0 N-CA-C 115.221 1.563 . . . . 0.0 115.221 -178.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 172.23 21.52 0.02 OUTLIER Glycine 0 N--CA 1.497 2.727 0 CA-C-N 123.183 2.719 . . . . 0.0 118.414 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -159.91 150.13 18.6 Favored 'General case' 0 N--CA 1.493 1.678 0 CA-C-N 119.52 1.66 . . . . 0.0 109.709 -179.547 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 4.0 t -99.86 122.21 51.46 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.934 0 O-C-N 120.795 -1.191 . . . . 0.0 107.818 -177.342 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 83.6 p -99.94 173.37 6.7 Favored 'General case' 0 CA--C 1.559 1.29 0 N-CA-C 114.736 1.384 . . . . 0.0 114.736 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -51.62 -46.48 63.62 Favored 'General case' 0 N--CA 1.5 2.069 0 N-CA-C 113.498 0.925 . . . . 0.0 113.498 178.682 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.22 -41.54 93.3 Favored 'General case' 0 CA--C 1.576 1.975 0 CA-C-N 120.346 1.43 . . . . 0.0 112.606 174.662 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 10.0 mt-10 -74.24 -19.91 60.35 Favored 'General case' 0 N--CA 1.509 2.476 0 CA-C-N 121.709 2.05 . . . . 0.0 113.822 176.17 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.453 ' CE1' ' HA ' ' A' ' 107' ' ' LEU . 1.2 t80 -66.82 -56.11 11.88 Favored 'General case' 0 CA--C 1.559 1.319 0 C-N-CA 125.919 1.688 . . . . 0.0 109.432 173.803 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.417 ' H ' ' HG ' ' A' ' 163' ' ' LEU . 0.2 OUTLIER -80.06 -51.83 8.54 Favored 'General case' 0 CA--C 1.579 2.08 0 N-CA-C 113.193 0.812 . . . . 0.0 113.193 177.64 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 7.8 tmm_? -79.95 -27.96 39.72 Favored 'General case' 0 CA--C 1.589 2.469 0 N-CA-C 118.123 2.638 . . . . 0.0 118.123 179.024 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.25 8.0 tp . . . . . 0 N--CA 1.518 2.93 0 C-N-CA 129.64 3.176 . . . . 0.0 119.509 -179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.7 m-30 . . . . . 0 N--CA 1.497 1.876 0 CA-C-O 117.477 -1.249 . . . . 0.0 113.605 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -57.43 -40.44 92.15 Favored Glycine 0 N--CA 1.497 2.752 0 CA-C-N 120.975 1.716 . . . . 0.0 113.178 174.188 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -62.35 -51.92 65.68 Favored 'General case' 0 CA--C 1.581 2.153 0 C-N-CA 124.066 0.946 . . . . 0.0 111.089 175.326 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 36.2 t80 -56.52 -46.0 80.82 Favored 'General case' 0 CA--C 1.587 2.381 0 O-C-N 121.002 -1.061 . . . . 0.0 112.108 174.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 36.6 tp -62.67 -48.92 77.21 Favored 'General case' 0 N--CA 1.49 1.526 0 O-C-N 120.777 -1.202 . . . . 0.0 111.46 175.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.64 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 3.1 m -58.79 -39.45 81.13 Favored 'General case' 0 N--CA 1.497 1.914 0 C-N-CA 123.795 0.838 . . . . 0.0 112.049 176.534 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -57.23 -48.8 81.6 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.678 0 C-N-CA 124.659 1.184 . . . . 0.0 111.38 175.798 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.7 OUTLIER -72.87 -41.31 64.85 Favored 'General case' 0 CA--C 1.586 2.353 0 CA-C-N 118.895 0.77 . . . . 0.0 112.156 175.081 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.64 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 55.3 p -62.2 -45.56 92.81 Favored 'General case' 0 N--CA 1.508 2.43 0 C-N-CA 125.035 1.334 . . . . 0.0 113.649 178.473 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 54.6 mt-30 -50.01 -36.18 27.58 Favored 'General case' 0 N--CA 1.503 2.198 0 CA-C-N 121.249 1.84 . . . . 0.0 115.091 177.453 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -96.32 -10.09 28.62 Favored 'General case' 0 CA--C 1.58 2.102 0 N-CA-C 113.869 1.063 . . . . 0.0 113.869 176.652 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 12.7 tpt -143.34 63.56 1.36 Allowed 'General case' 0 CA--C 1.579 2.062 0 CA-C-N 121.343 1.883 . . . . 0.0 113.186 -179.888 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 3.9 t 58.14 177.4 0.06 Allowed 'General case' 0 N--CA 1.505 2.305 0 N-CA-C 118.948 2.944 . . . . 0.0 118.948 178.281 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER 75.59 176.12 0.22 Allowed 'General case' 0 N--CA 1.505 2.293 0 C-N-CA 126.356 1.862 . . . . 0.0 114.897 -179.711 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -138.13 162.7 33.53 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 114.695 1.368 . . . . 0.0 114.695 -178.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.8 m-20 -126.58 -141.83 0.28 Allowed 'General case' 0 CA--C 1.584 2.253 0 O-C-N 121.248 -0.908 . . . . 0.0 111.849 179.969 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 44.3 p 86.08 96.37 0.03 OUTLIER 'General case' 0 N--CA 1.507 2.404 0 C-N-CA 126.858 2.063 . . . . 0.0 112.111 179.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.259 0.0 OUTLIER 47.73 163.82 0.0 OUTLIER 'General case' 0 N--CA 1.508 2.471 0 N-CA-C 119.098 2.999 . . . . 0.0 119.098 179.783 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . 0.271 1.5 pt-20 66.92 -44.16 0.44 Allowed 'General case' 0 N--CA 1.533 3.705 0 CA-C-N 123.137 2.698 . . . . 0.0 112.626 -172.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.71 -34.38 52.06 Favored 'General case' 0 CA--C 1.56 1.332 0 C-N-CA 126.263 1.825 . . . . 0.0 112.575 173.482 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.0 tp -58.04 -48.81 83.34 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.072 0 CA-C-N 121.206 1.821 . . . . 0.0 109.848 174.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.464 ' HA ' ' HE1' ' A' ' 162' ' ' PHE . 0.4 OUTLIER -67.41 -43.5 81.1 Favored 'General case' 0 N--CA 1.484 1.252 0 CA-C-O 117.931 -1.033 . . . . 0.0 113.604 177.314 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 10.8 mptt -66.79 -45.97 76.74 Favored 'General case' 0 CA--C 1.562 1.419 0 CA-C-O 116.688 -1.625 . . . . 0.0 112.591 176.091 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.16 -44.52 88.27 Favored 'General case' 0 N--CA 1.484 1.253 0 CA-C-N 122.252 2.297 . . . . 0.0 114.862 179.505 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.522 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 16.1 t80 -70.67 -45.62 64.74 Favored 'General case' 0 N--CA 1.485 1.297 0 CA-C-O 117.167 -1.397 . . . . 0.0 111.873 177.659 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 6.0 mmmm -66.68 -33.35 75.44 Favored 'General case' 0 CA--C 1.576 1.964 0 CA-C-O 116.52 -1.705 . . . . 0.0 111.925 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.3 pp -68.03 -33.76 75.19 Favored 'General case' 0 CA--C 1.579 2.071 0 CA-C-N 123.204 2.729 . . . . 0.0 110.998 172.57 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER -58.24 -44.76 88.43 Favored 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 114.203 1.186 . . . . 0.0 114.203 174.41 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.0 p-10 -91.84 61.44 4.13 Favored 'General case' 0 CA--C 1.596 2.714 0 CA-C-N 118.793 0.724 . . . . 0.0 111.939 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.5 p-10 -52.91 -17.39 1.38 Allowed 'General case' 0 N--CA 1.515 2.795 0 O-C-N 118.285 -2.76 . . . . 0.0 117.066 179.359 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 52.3 m-20 -88.51 -5.87 57.95 Favored 'General case' 0 CA--C 1.583 2.249 0 CA-C-N 121.797 2.09 . . . . 0.0 111.552 175.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 39.2 tp10 68.59 55.82 0.47 Allowed 'General case' 0 CA--C 1.586 2.347 0 CA-C-O 125.941 2.781 . . . . 0.0 114.143 177.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 72.5 p -117.69 -42.34 2.86 Favored 'General case' 0 N--CA 1.495 1.776 0 CA-C-N 111.839 -2.437 . . . . 0.0 109.77 178.761 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 77.31 49.59 7.3 Favored Glycine 0 N--CA 1.48 1.595 0 N-CA-C 117.158 1.623 . . . . 0.0 117.158 179.371 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -142.8 109.98 5.63 Favored 'General case' 0 CA--C 1.569 1.71 0 CA-C-N 118.926 1.363 . . . . 0.0 110.229 179.399 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.5 mp -110.49 127.57 67.4 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.435 0 N-CA-C 106.689 -1.597 . . . . 0.0 106.689 177.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.8 p -99.95 166.75 10.9 Favored 'General case' 0 CA--C 1.58 2.118 0 CA-C-N 115.057 -0.974 . . . . 0.0 109.727 176.202 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 81.9 t80 -50.74 -38.3 46.85 Favored 'General case' 0 N--CA 1.514 2.762 0 O-C-N 120.325 -1.484 . . . . 0.0 114.697 177.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.9 OUTLIER -58.93 -48.61 80.87 Favored 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 124.127 0.971 . . . . 0.0 112.765 178.712 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -68.26 -30.19 69.17 Favored 'General case' 0 CA--C 1.59 2.494 0 O-C-N 121.558 -0.714 . . . . 0.0 110.816 176.805 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 74.0 mt -61.63 -43.88 98.03 Favored 'General case' 0 N--CA 1.5 2.046 0 CA-C-N 120.919 1.691 . . . . 0.0 110.732 173.446 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.324 11.8 ptpt -67.64 -32.96 74.01 Favored 'General case' 0 CA--C 1.584 2.25 0 CA-C-N 121.696 2.043 . . . . 0.0 110.403 175.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 64.4 mmt-85 -56.28 -53.56 55.74 Favored 'General case' 0 N--CA 1.503 2.203 0 CA-C-N 120.953 1.706 . . . . 0.0 109.812 171.668 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.422 HG12 ' HG ' ' A' ' 133' ' ' LEU 0.319 0.7 OUTLIER -65.71 -32.23 57.25 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.877 0 CA-C-N 119.207 0.912 . . . . 0.0 111.772 179.052 . . . . . . . . 4 4 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -53.34 -42.62 66.94 Favored 'General case' 0 CA--C 1.574 1.889 0 O-C-N 120.33 -1.481 . . . . 0.0 111.556 173.616 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 30.0 mmmt -64.81 -46.5 81.77 Favored 'General case' 0 CA--C 1.589 2.471 0 CA-C-N 118.389 0.541 . . . . 0.0 111.053 171.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 5.3 mt-10 -74.56 -31.93 62.25 Favored 'General case' 0 CA--C 1.575 1.916 0 N-CA-C 120.459 3.503 . . . . 0.0 120.459 -179.279 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.422 ' HG ' HG12 ' A' ' 129' ' ' VAL . 15.5 mt -55.07 -70.39 0.11 Allowed 'General case' 0 N--CA 1.49 1.531 0 CA-C-N 121.047 1.749 . . . . 0.0 115.641 -179.542 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -157.11 -49.13 0.01 OUTLIER Glycine 0 CA--C 1.546 2.029 0 CA-C-N 113.018 -1.901 . . . . 0.0 114.866 -179.464 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -148.71 143.02 26.17 Favored 'General case' 0 CA--C 1.568 1.648 0 CA-C-N 120.024 1.912 . . . . 0.0 110.014 179.481 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.1 t-20 -81.55 113.31 19.49 Favored 'General case' 0 CA--C 1.562 1.426 0 O-C-N 120.407 -1.433 . . . . 0.0 110.576 178.641 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.25 10.9 tp -86.12 -113.52 0.04 OUTLIER 'General case' 0 CA--C 1.57 1.716 0 CA-C-O 117.493 -1.241 . . . . 0.0 108.948 179.681 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 3.7 t -152.34 158.14 42.31 Favored 'General case' 0 N--CA 1.49 1.556 0 CA-C-N 122.789 2.54 . . . . 0.0 110.47 177.533 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -40.94 -49.41 3.25 Favored 'General case' 0 CA--C 1.567 1.631 0 N-CA-C 117.27 2.322 . . . . 0.0 117.27 176.18 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.0 -42.91 97.03 Favored 'General case' 0 CA--C 1.575 1.914 0 C-N-CA 125.67 1.588 . . . . 0.0 112.481 178.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 21.0 mm-40 -59.19 -54.34 48.05 Favored 'General case' 0 N--CA 1.507 2.398 0 C-N-CA 123.84 0.856 . . . . 0.0 110.414 174.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.2 mt -56.48 -35.38 67.9 Favored 'General case' 0 CA--C 1.571 1.788 0 O-C-N 121.046 -1.034 . . . . 0.0 112.684 174.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.534 HE21 HG21 ' A' ' 146' ' ' ILE . 23.6 tp60 -70.52 -36.71 73.91 Favored 'General case' 0 CA--C 1.565 1.555 0 CA-C-O 117.725 -1.131 . . . . 0.0 111.319 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -62.83 -39.6 94.83 Favored 'General case' 0 CA--C 1.586 2.345 0 CA-C-N 120.391 1.45 . . . . 0.0 109.722 173.472 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.1 OUTLIER -62.86 -36.62 83.87 Favored 'General case' 0 CA--C 1.589 2.468 0 CA-C-N 119.216 0.916 . . . . 0.0 111.306 173.147 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.534 HG21 HE21 ' A' ' 143' ' ' GLN . 1.0 OUTLIER -62.69 -54.2 36.93 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.661 0 O-C-N 119.86 -1.775 . . . . 0.0 109.812 173.79 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -55.15 -40.13 70.28 Favored 'General case' 0 N--CA 1.497 1.906 0 N-CA-C 114.129 1.159 . . . . 0.0 114.129 -179.38 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.9 pp20? -67.19 -39.1 86.33 Favored 'General case' 0 CA--C 1.593 2.612 0 CA-C-N 119.965 1.257 . . . . 0.0 112.201 172.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -76.41 -41.63 47.08 Favored 'General case' 0 CA--C 1.579 2.087 0 N-CA-C 119.662 3.208 . . . . 0.0 119.662 178.729 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 33.2 t70 -73.09 54.04 0.38 Allowed 'General case' 0 CA--C 1.584 2.286 0 C-N-CA 127.107 2.163 . . . . 0.0 115.823 -177.198 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.286 0.1 OUTLIER -52.59 -27.53 17.25 Favored 'General case' 0 CA--C 1.564 1.5 0 N-CA-C 119.433 3.124 . . . . 0.0 119.433 -178.46 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -79.76 -40.73 28.1 Favored 'General case' 0 CA--C 1.587 2.377 0 CA-C-O 117.69 -1.148 . . . . 0.0 109.636 173.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 115.54 136.0 5.89 Favored Glycine 0 CA--C 1.559 2.788 0 N-CA-C 118.673 2.229 . . . . 0.0 118.673 177.456 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . 0.266 17.1 t70 126.19 -62.22 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.532 0 C-N-CA 127.82 2.448 . . . . 0.0 109.721 177.222 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 154.7 39.6 0.02 OUTLIER Glycine 0 N--CA 1.488 2.157 0 N-CA-C 118.814 2.285 . . . . 0.0 118.814 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -153.63 138.6 17.23 Favored 'General case' 0 N--CA 1.486 1.371 0 CA-C-O 123.134 1.445 . . . . 0.0 109.722 177.558 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.79 123.39 52.54 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.742 0 CA-C-N 114.774 -1.103 . . . . 0.0 108.847 -175.715 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 70.1 m -99.9 171.58 7.77 Favored 'General case' 0 CA--C 1.566 1.577 0 CA-C-O 121.64 0.733 . . . . 0.0 112.548 -179.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.46 -49.99 66.25 Favored 'General case' 0 N--CA 1.503 2.206 0 N-CA-C 114.305 1.224 . . . . 0.0 114.305 179.094 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.478 ' HA ' HD11 ' A' ' 163' ' ' LEU . 7.1 pt20 -60.04 -34.74 73.8 Favored 'General case' 0 CA--C 1.576 1.96 0 CA-C-N 120.441 1.473 . . . . 0.0 114.282 176.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -79.4 -22.22 44.6 Favored 'General case' 0 N--CA 1.503 2.212 0 CA-C-N 120.275 1.398 . . . . 0.0 112.073 175.251 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -65.13 -56.71 11.39 Favored 'General case' 0 CA--C 1.553 1.073 0 C-N-CA 125.98 1.712 . . . . 0.0 110.327 175.319 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.478 HD11 ' HA ' ' A' ' 160' ' ' GLN . 0.3 OUTLIER -80.06 -52.01 8.33 Favored 'General case' 0 CA--C 1.577 2.011 0 CA-C-O 118.238 -0.887 . . . . 0.0 112.195 -179.87 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 52.7 ttp180 -80.1 -33.61 38.64 Favored 'General case' 0 N--CA 1.502 2.154 0 N-CA-C 118.123 2.638 . . . . 0.0 118.123 179.368 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.262 5.6 tp . . . . . 0 N--CA 1.517 2.898 0 N-CA-C 118.821 2.897 . . . . 0.0 118.821 -179.61 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 N--CA 1.512 2.637 0 N-CA-C 119.748 3.24 . . . . 0.0 119.748 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -51.63 -37.84 42.67 Favored Glycine 0 N--CA 1.499 2.881 0 C-N-CA 125.19 1.376 . . . . 0.0 114.407 176.126 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -53.84 -58.32 7.68 Favored 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 126.154 1.782 . . . . 0.0 111.193 172.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 63.0 t80 -57.76 -43.67 85.6 Favored 'General case' 0 N--CA 1.51 2.551 0 CA-C-N 120.816 1.644 . . . . 0.0 111.171 175.275 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 29.1 tp -60.33 -50.8 72.2 Favored 'General case' 0 CA--C 1.565 1.541 0 O-C-N 121.128 -0.982 . . . . 0.0 111.796 177.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 7.8 m -59.62 -41.57 90.69 Favored 'General case' 0 N--CA 1.495 1.81 0 CA-C-N 119.207 0.912 . . . . 0.0 112.725 176.265 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -56.99 -47.13 83.94 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.571 0 C-N-CA 124.614 1.166 . . . . 0.0 112.515 176.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.862 ' HG2' HD23 ' A' ' 133' ' ' LEU . 18.4 tpp -78.27 -41.48 33.86 Favored 'General case' 0 CA--C 1.572 1.8 0 N-CA-C 114.946 1.462 . . . . 0.0 114.946 177.635 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 44.0 p -74.79 -48.69 24.02 Favored 'General case' 0 N--CA 1.501 2.076 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -179.453 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 19.8 tt0 -59.14 -27.29 65.49 Favored 'General case' 0 N--CA 1.497 1.894 0 N-CA-C 117.581 2.438 . . . . 0.0 117.581 -179.159 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.2 mttt -64.8 -37.67 88.41 Favored 'General case' 0 N--CA 1.505 2.31 0 CA-C-N 121.288 1.858 . . . . 0.0 112.218 177.07 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 10.8 tpt -120.02 -105.62 0.38 Allowed 'General case' 0 CA--C 1.574 1.882 0 N-CA-C 106.663 -1.606 . . . . 0.0 106.663 177.154 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 69.8 p -171.8 116.82 0.39 Allowed 'General case' 0 N--CA 1.496 1.86 0 CA-C-N 121.03 1.741 . . . . 0.0 111.35 179.467 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 4.4 tm-20 -149.58 -86.66 0.08 Allowed 'General case' 0 N--CA 1.499 1.997 0 O-C-N 121.139 -0.976 . . . . 0.0 109.439 179.261 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 45.6 mttp -113.52 154.19 27.49 Favored 'General case' 0 N--CA 1.502 2.148 0 CA-C-N 120.654 1.57 . . . . 0.0 112.249 178.957 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -97.55 -104.09 0.19 Allowed 'General case' 0 CA--C 1.577 1.988 0 O-C-N 121.775 -0.578 . . . . 0.0 112.34 -179.834 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 12.3 m -154.41 156.92 37.7 Favored 'General case' 0 N--CA 1.501 2.119 0 CA-C-N 120.62 1.555 . . . . 0.0 111.849 -178.602 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 76.31 153.11 0.14 Allowed 'General case' 0 N--CA 1.51 2.544 0 C-N-CA 126.213 1.805 . . . . 0.0 111.105 -178.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.8 tp10 69.93 -63.81 0.38 Allowed 'General case' 0 N--CA 1.524 3.228 0 CA-C-N 123.222 2.737 . . . . 0.0 112.529 -176.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.7 mm-40 -67.45 -20.0 65.44 Favored 'General case' 0 CA--C 1.555 1.171 0 CA-C-O 116.514 -1.708 . . . . 0.0 113.007 177.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.24 -46.68 96.14 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.094 0 CA-C-N 123.395 2.816 . . . . 0.0 110.18 174.271 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -71.4 -42.65 68.08 Favored 'General case' 0 N--CA 1.489 1.485 0 N-CA-C 113.316 0.858 . . . . 0.0 113.316 178.268 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -67.52 -44.06 79.29 Favored 'General case' 0 CA--C 1.566 1.588 0 CA-C-O 116.936 -1.507 . . . . 0.0 111.705 175.538 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -65.11 -46.94 78.96 Favored 'General case' 0 N--CA 1.485 1.29 0 CA-C-N 122.104 2.229 . . . . 0.0 112.929 178.054 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.466 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 6.6 t80 -65.0 -41.71 95.15 Favored 'General case' 0 N--CA 1.495 1.816 0 CA-C-N 121.309 1.868 . . . . 0.0 112.618 177.023 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 8.0 mmmm -65.47 -38.24 89.19 Favored 'General case' 0 CA--C 1.576 1.975 0 CA-C-O 116.882 -1.532 . . . . 0.0 111.783 179.316 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.3 pp -72.83 -29.87 63.58 Favored 'General case' 0 CA--C 1.576 1.97 0 CA-C-N 122.177 2.262 . . . . 0.0 112.388 173.272 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -54.4 -42.72 70.78 Favored 'General case' 0 N--CA 1.493 1.685 0 C-N-CA 124.992 1.317 . . . . 0.0 112.961 173.428 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -87.07 80.38 8.38 Favored 'General case' 0 CA--C 1.59 2.485 0 CA-C-O 118.821 -0.609 . . . . 0.0 110.053 179.485 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -49.9 -17.46 0.38 Allowed 'General case' 0 CA--C 1.596 2.741 0 N-CA-C 117.484 2.402 . . . . 0.0 117.484 176.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 41.7 m-20 -103.67 8.92 37.43 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-N 120.813 1.642 . . . . 0.0 112.622 178.184 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 54.4 tp10 69.34 -11.62 0.47 Allowed 'General case' 0 N--CA 1.503 2.22 0 N-CA-C 119.338 3.088 . . . . 0.0 119.338 177.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.6 t -65.87 -18.37 65.29 Favored 'General case' 0 N--CA 1.499 1.983 0 N-CA-C 116.504 2.039 . . . . 0.0 116.504 179.171 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 67.46 62.57 4.28 Favored Glycine 0 CA--C 1.541 1.661 0 N-CA-C 119.637 2.615 . . . . 0.0 119.637 178.44 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 11.6 mmtt -147.78 109.9 4.55 Favored 'General case' 0 CA--C 1.566 1.577 0 N-CA-C 106.913 -1.514 . . . . 0.0 106.913 177.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.5 mp -101.64 129.05 53.44 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.688 0 O-C-N 120.997 -1.065 . . . . 0.0 109.731 179.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 71.0 p -104.53 171.74 7.17 Favored 'General case' 0 CA--C 1.579 2.091 0 CA-C-N 113.522 -1.672 . . . . 0.0 109.421 175.682 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 16.0 t80 -56.18 -36.95 68.94 Favored 'General case' 0 N--CA 1.51 2.568 0 N-CA-C 114.715 1.376 . . . . 0.0 114.715 178.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.7 mmmp? -62.47 -43.9 97.69 Favored 'General case' 0 CA--C 1.577 1.993 0 O-C-N 120.706 -1.246 . . . . 0.0 112.006 176.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.26 -33.44 75.99 Favored 'General case' 0 CA--C 1.588 2.406 0 O-C-N 120.614 -1.304 . . . . 0.0 109.577 175.484 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 97.0 mt -55.75 -44.65 77.8 Favored 'General case' 0 N--CA 1.504 2.227 0 CA-C-N 120.863 1.665 . . . . 0.0 110.914 172.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 11.4 mttm -56.4 -48.69 76.4 Favored 'General case' 0 CA--C 1.572 1.812 0 C-N-CA 124.038 0.935 . . . . 0.0 111.498 175.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -59.33 -46.17 89.33 Favored 'General case' 0 N--CA 1.505 2.316 0 CA-C-N 119.279 0.945 . . . . 0.0 112.764 176.706 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.717 ' O ' HD22 ' A' ' 133' ' ' LEU 0.279 1.9 t -69.72 -37.45 73.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.562 0 CA-C-O 117.008 -1.472 . . . . 0.0 110.304 179.336 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.439 ' CB ' HD13 ' A' ' 137' ' ' LEU . . . -49.78 -48.69 50.33 Favored 'General case' 0 CA--C 1.564 1.51 0 CA-C-N 121.435 1.925 . . . . 0.0 113.004 174.323 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -68.55 -27.97 66.55 Favored 'General case' 0 CA--C 1.593 2.602 0 CA-C-N 119.607 1.094 . . . . 0.0 112.221 172.672 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.57 -54.96 23.86 Favored 'General case' 0 N--CA 1.491 1.581 0 N-CA-C 117.207 2.299 . . . . 0.0 117.207 178.142 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.862 HD23 ' HG2' ' A' ' 93' ' ' MET 0.363 0.8 OUTLIER -44.19 -52.48 7.33 Favored 'General case' 0 CA--C 1.569 1.708 0 N-CA-C 117.198 2.295 . . . . 0.0 117.198 176.088 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 137.42 -47.64 0.94 Allowed Glycine 0 N--CA 1.491 2.319 0 CA-C-N 114.532 -1.213 . . . . 0.0 112.915 -179.46 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 7.5 tp10 -83.15 138.45 33.65 Favored 'General case' 0 CA--C 1.566 1.578 0 N-CA-C 108.234 -1.024 . . . . 0.0 108.234 177.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.6 t-20 -89.26 171.53 9.72 Favored 'General case' 0 CA--C 1.575 1.914 0 N-CA-C 117.769 2.507 . . . . 0.0 117.769 -176.147 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.654 HD12 HD11 ' A' ' 142' ' ' LEU 0.289 0.3 OUTLIER -108.07 -172.79 2.13 Favored 'General case' 0 CA--C 1.559 1.311 1 N-CA-C 121.82 4.008 . . . . 0.0 121.82 -173.776 . . . . . . . . 5 4 . 1 . 011 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 9.2 t -156.23 138.87 15.07 Favored 'General case' 0 CA--C 1.562 1.427 0 N-CA-C 105.468 -2.049 . . . . 0.0 105.468 170.695 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -43.65 -43.05 5.58 Favored 'General case' 0 CA--C 1.574 1.885 0 N-CA-C 117.743 2.497 . . . . 0.0 117.743 -179.018 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.6 pt-20 -61.44 -50.92 70.85 Favored 'General case' 0 CA--C 1.568 1.647 0 C-N-CA 127.414 2.286 . . . . 0.0 112.58 177.101 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -63.24 -47.0 84.29 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 120.678 1.581 . . . . 0.0 110.706 176.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.654 HD11 HD12 ' A' ' 137' ' ' LEU . 5.4 mt -57.36 -44.21 84.15 Favored 'General case' 0 CA--C 1.567 1.616 0 CA-C-N 121.215 1.825 . . . . 0.0 114.234 177.469 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.435 ' NE2' HG21 ' A' ' 146' ' ' ILE 0.262 0.9 OUTLIER -70.17 -35.14 73.79 Favored 'General case' 0 N--CA 1.49 1.557 0 CA-C-N 120.257 1.39 . . . . 0.0 112.285 178.582 . . . . . . . . 4 4 . 1 . 011 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -61.93 -40.48 95.64 Favored 'General case' 0 CA--C 1.585 2.315 0 CA-C-N 120.746 1.612 . . . . 0.0 110.465 173.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.3 mmt -61.35 -41.78 97.62 Favored 'General case' 0 CA--C 1.576 1.963 0 C-N-CA 123.845 0.858 . . . . 0.0 110.834 174.191 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.435 HG21 ' NE2' ' A' ' 143' ' ' GLN . 10.0 mm -59.2 -56.33 17.75 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.29 0 CA-C-O 116.876 -1.535 . . . . 0.0 110.607 175.293 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 4.4 t0 -56.9 -42.29 79.64 Favored 'General case' 0 N--CA 1.505 2.289 0 CA-C-N 120.988 1.722 . . . . 0.0 113.125 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.0 pt-20 -66.87 -31.82 72.68 Favored 'General case' 0 CA--C 1.597 2.777 0 CA-C-N 120.719 1.6 . . . . 0.0 113.691 175.05 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.03 -44.53 19.97 Favored 'General case' 0 CA--C 1.579 2.083 0 N-CA-C 117.097 2.258 . . . . 0.0 117.097 176.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.289 25.3 t0 -79.81 67.33 5.56 Favored 'General case' 0 N--CA 1.498 1.96 0 C-N-CA 127.719 2.408 . . . . 0.0 109.986 -179.261 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.28 0.0 OUTLIER -64.61 -26.32 68.35 Favored 'General case' 0 CA--C 1.563 1.444 0 O-C-N 117.61 -3.181 . . . . 0.0 119.21 -173.57 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -72.89 -24.75 60.89 Favored 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 120.312 1.415 . . . . 0.0 111.905 171.972 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 88.83 36.65 7.69 Favored Glycine 0 N--CA 1.489 2.199 0 N-CA-C 119.361 2.504 . . . . 0.0 119.361 178.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 3.4 p30 -103.47 3.54 35.03 Favored 'General case' 0 CA--C 1.584 2.286 0 CA-C-N 119.07 1.435 . . . . 0.0 114.485 177.659 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 92.21 9.71 61.7 Favored Glycine 0 CA--C 1.554 2.476 0 CA-C-N 121.304 1.866 . . . . 0.0 117.095 -178.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 2.1 pt-20 -158.09 152.32 24.36 Favored 'General case' 0 CA--C 1.575 1.913 0 CA-C-N 120.054 1.927 . . . . 0.0 112.014 -177.342 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 7.2 t -99.73 123.6 52.61 Favored 'Isoleucine or valine' 0 N--CA 1.509 2.509 0 O-C-N 119.835 -1.791 . . . . 0.0 107.932 -174.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -99.84 173.94 6.44 Favored 'General case' 0 CA--C 1.558 1.285 0 CA-C-O 123.055 1.407 . . . . 0.0 113.026 -178.689 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -50.42 -50.0 53.13 Favored 'General case' 0 N--CA 1.488 1.466 0 CA-C-O 116.21 -1.852 . . . . 0.0 115.943 178.765 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.447 ' HA ' ' CD2' ' A' ' 163' ' ' LEU . 0.0 OUTLIER -63.31 -33.96 76.65 Favored 'General case' 0 CA--C 1.576 1.969 0 CA-C-N 122.79 2.541 . . . . 0.0 113.791 177.09 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -74.67 -27.17 60.3 Favored 'General case' 0 CA--C 1.584 2.25 0 CA-C-N 121.282 1.855 . . . . 0.0 112.055 173.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.466 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -61.81 -59.88 4.49 Favored 'General case' 0 N--CA 1.484 1.259 0 C-N-CA 126.5 1.92 . . . . 0.0 111.578 175.122 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.447 ' CD2' ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -80.08 -57.41 3.64 Favored 'General case' 0 CA--C 1.573 1.838 0 CA-C-O 118.093 -0.956 . . . . 0.0 113.083 179.245 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 29.7 tpt180 -80.2 -60.12 2.45 Favored 'General case' 0 N--CA 1.494 1.732 0 N-CA-C 119.555 3.169 . . . . 0.0 119.555 -177.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.275 0.2 OUTLIER . . . . . 0 CA--C 1.579 2.076 1 C-N-CA 132.694 4.398 . . . . 0.0 106.588 -176.522 . . . . . . . . 3 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 32.6 m-85 . . . . . 0 N--CA 1.493 1.693 0 N-CA-C 115.748 1.758 . . . . 0.0 115.748 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -59.79 -50.6 65.99 Favored Glycine 0 N--CA 1.496 2.667 0 CA-C-N 121.706 2.048 . . . . 0.0 115.522 177.326 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -64.78 -52.57 56.19 Favored 'General case' 0 CA--C 1.577 2.007 0 CA-C-O 118.447 -0.787 . . . . 0.0 111.37 177.281 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 48.3 t80 -54.77 -38.1 66.81 Favored 'General case' 0 N--CA 1.505 2.322 0 C-N-CA 124.082 0.953 . . . . 0.0 112.031 175.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 46.2 tp -61.67 -52.07 65.83 Favored 'General case' 0 N--CA 1.493 1.694 0 C-N-CA 124.372 1.069 . . . . 0.0 110.973 175.352 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.2 m -54.86 -42.72 72.37 Favored 'General case' 0 N--CA 1.501 2.108 0 N-CA-C 114.384 1.253 . . . . 0.0 114.384 177.178 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.2 t -67.88 -38.35 79.94 Favored 'Isoleucine or valine' 0 CA--C 1.59 2.485 0 C-N-CA 124.647 1.179 . . . . 0.0 109.798 175.263 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 1.6 tmt? -61.46 -48.02 83.05 Favored 'General case' 0 N--CA 1.5 2.029 0 C-N-CA 125.404 1.482 . . . . 0.0 112.308 174.64 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 67.2 p -50.14 -39.19 42.5 Favored 'General case' 0 N--CA 1.509 2.506 0 C-N-CA 125.686 1.594 . . . . 0.0 113.243 177.504 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 85.5 mt-30 -53.28 -31.34 43.35 Favored 'General case' 0 CA--C 1.586 2.339 0 N-CA-C 114.637 1.347 . . . . 0.0 114.637 174.643 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 1.3 mptt -99.83 -45.11 5.84 Favored 'General case' 0 CA--C 1.57 1.728 0 C-N-CA 124.925 1.29 . . . . 0.0 112.317 178.591 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 47.3 ttm -141.86 136.33 30.44 Favored 'General case' 0 CA--C 1.568 1.662 0 CA-C-N 120.095 1.316 . . . . 0.0 111.289 -179.897 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 4.4 t 83.68 159.89 0.12 Allowed 'General case' 0 N--CA 1.505 2.3 0 C-N-CA 126.012 1.725 . . . . 0.0 114.978 179.44 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 12.0 tp10 -66.44 162.27 20.91 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 114.483 1.29 . . . . 0.0 114.483 -179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -100.62 77.3 1.89 Allowed 'General case' 0 N--CA 1.493 1.717 0 O-C-N 120.516 -1.365 . . . . 0.0 113.785 -178.566 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 11.6 m-20 -94.74 -168.23 1.79 Allowed 'General case' 0 CA--C 1.577 2.014 0 CA-C-O 122.333 1.063 . . . . 0.0 112.719 179.717 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 5.7 t -159.44 143.31 14.83 Favored 'General case' 0 N--CA 1.502 2.13 0 O-C-N 118.926 -2.358 . . . . 0.0 111.184 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 60.92 156.35 0.03 OUTLIER 'General case' 0 N--CA 1.511 2.596 0 C-N-CA 126.922 2.089 . . . . 0.0 114.113 -178.022 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER 68.6 -47.99 0.56 Allowed 'General case' 0 N--CA 1.533 3.713 0 CA-C-N 123.598 2.908 . . . . 0.0 111.278 -172.63 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 53.4 mm-40 -59.07 -25.76 64.04 Favored 'General case' 0 CA--C 1.553 1.069 0 C-N-CA 127.344 2.258 . . . . 0.0 113.422 177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -54.08 -42.57 55.79 Favored 'Isoleucine or valine' 0 N--CA 1.513 2.681 0 CA-C-N 122.309 2.322 . . . . 0.0 110.107 171.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.479 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 22.9 mt -70.65 -42.19 71.15 Favored 'General case' 0 CA--C 1.566 1.57 0 CA-C-O 118.939 -0.553 . . . . 0.0 112.415 178.541 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 80.2 mttt -65.48 -42.02 92.67 Favored 'General case' 0 CA--C 1.57 1.717 0 CA-C-N 119.955 1.252 . . . . 0.0 111.358 174.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.83 -47.65 85.41 Favored 'General case' 0 N--CA 1.484 1.273 0 CA-C-N 120.558 1.527 . . . . 0.0 113.663 177.378 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.483 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 0.4 OUTLIER -66.94 -44.58 80.24 Favored 'General case' 0 N--CA 1.489 1.513 0 CA-C-N 119.7 1.136 . . . . 0.0 111.077 175.528 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 1.6 tptt -65.39 -34.55 78.57 Favored 'General case' 0 CA--C 1.575 1.922 0 CA-C-O 117.466 -1.254 . . . . 0.0 112.734 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.4 pp -71.83 -28.69 63.74 Favored 'General case' 0 CA--C 1.574 1.893 0 CA-C-N 122.0 2.182 . . . . 0.0 110.746 171.748 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -56.33 -36.54 68.85 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 119.435 1.016 . . . . 0.0 112.065 171.38 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 57.6 m-20 -70.8 54.42 0.16 Allowed 'General case' 0 CA--C 1.597 2.753 0 N-CA-C 114.771 1.397 . . . . 0.0 114.771 177.688 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -53.6 -21.83 7.42 Favored 'General case' 0 N--CA 1.516 2.862 0 O-C-N 118.365 -2.71 . . . . 0.0 115.226 175.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 4.0 t70 -94.42 -25.1 17.07 Favored 'General case' 0 CA--C 1.589 2.479 0 C-N-CA 124.776 1.23 . . . . 0.0 110.211 176.376 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.4 tp10 77.19 56.3 0.03 OUTLIER 'General case' 0 CA--C 1.58 2.134 0 CA-C-O 126.19 2.9 . . . . 0.0 112.603 177.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 68.3 p -105.51 -40.2 5.87 Favored 'General case' 0 CA--C 1.569 1.675 0 CA-C-N 111.313 -2.676 . . . . 0.0 108.64 177.462 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 86.82 33.78 12.22 Favored Glycine 0 N--CA 1.487 2.04 0 N-CA-C 118.091 1.996 . . . . 0.0 118.091 178.772 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.9 126.4 5.53 Favored 'General case' 0 CA--C 1.56 1.328 0 N-CA-C 107.287 -1.375 . . . . 0.0 107.287 179.092 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.5 mp -99.93 124.53 53.41 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.865 0 CA-C-O 123.152 1.454 . . . . 0.0 107.392 179.412 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 58.3 p -99.97 165.52 11.5 Favored 'General case' 0 CA--C 1.583 2.249 0 CA-C-N 112.399 -2.182 . . . . 0.0 107.33 175.67 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 79.0 t80 -53.11 -37.97 62.2 Favored 'General case' 0 N--CA 1.512 2.647 0 N-CA-C 115.885 1.809 . . . . 0.0 115.885 178.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -65.11 -39.95 93.82 Favored 'General case' 0 CA--C 1.577 2.013 0 O-C-N 121.267 -0.896 . . . . 0.0 112.154 178.35 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.62 -36.1 82.72 Favored 'General case' 0 CA--C 1.583 2.241 0 CA-C-N 120.678 1.581 . . . . 0.0 109.433 175.148 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.7 mt -53.63 -46.89 70.65 Favored 'General case' 0 N--CA 1.507 2.415 0 CA-C-N 120.184 1.357 . . . . 0.0 110.227 172.248 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 75.9 mttt -56.93 -46.44 82.03 Favored 'General case' 0 N--CA 1.496 1.831 0 C-N-CA 124.608 1.163 . . . . 0.0 111.817 174.413 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 36.3 mtm105 -57.17 -52.29 65.91 Favored 'General case' 0 N--CA 1.506 2.348 0 CA-C-N 119.548 1.067 . . . . 0.0 111.678 176.009 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.4 HG12 HD12 ' A' ' 133' ' ' LEU . 48.8 t -62.78 -44.69 99.7 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.44 0 CA-C-O 118.116 -0.945 . . . . 0.0 111.173 178.326 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -57.77 -45.26 86.2 Favored 'General case' 0 CA--C 1.576 1.949 0 CA-C-N 119.884 1.22 . . . . 0.0 113.225 174.763 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 81.7 mttt -64.86 -48.9 72.61 Favored 'General case' 0 CA--C 1.567 1.599 0 N-CA-C 114.064 1.135 . . . . 0.0 114.064 176.006 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -69.67 -34.35 73.84 Favored 'General case' 0 CA--C 1.575 1.912 0 N-CA-C 115.31 1.596 . . . . 0.0 115.31 -179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.4 HD12 HG12 ' A' ' 129' ' ' VAL . 23.2 mt -79.07 -56.74 4.15 Favored 'General case' 0 CA--C 1.574 1.889 0 C-N-CA 124.908 1.283 . . . . 0.0 113.484 176.729 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 140.18 -16.07 2.99 Favored Glycine 0 CA--C 1.562 2.969 0 C-N-CA 125.447 1.498 . . . . 0.0 114.454 -176.416 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 12.3 mt-10 -71.22 60.15 0.28 Allowed 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 125.889 1.675 . . . . 0.0 114.465 179.639 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 38.1 m-80 -76.59 -41.7 45.27 Favored 'General case' 0 N--CA 1.493 1.721 0 O-C-N 119.198 -2.189 . . . . 0.0 116.673 -176.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.27 0.0 OUTLIER 34.77 -107.23 0.04 OUTLIER 'General case' 0 N--CA 1.509 2.512 0 CA-C-N 121.177 1.808 . . . . 0.0 112.365 -179.479 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 6.0 t -158.86 164.32 35.83 Favored 'General case' 0 CA--C 1.558 1.254 0 CA-C-N 122.443 2.383 . . . . 0.0 108.31 174.719 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.2 p-10 -42.27 -49.96 4.99 Favored 'General case' 0 CA--C 1.568 1.663 0 CA-C-N 111.53 -2.577 . . . . 0.0 116.228 176.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -63.92 -39.38 94.03 Favored 'General case' 0 CA--C 1.57 1.731 0 C-N-CA 125.723 1.609 . . . . 0.0 113.222 177.602 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.5 mt-10 -59.07 -54.23 49.38 Favored 'General case' 0 N--CA 1.507 2.387 0 CA-C-N 119.939 1.245 . . . . 0.0 109.936 174.411 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 6.9 mt -59.72 -38.2 81.01 Favored 'General case' 0 CA--C 1.578 2.031 0 O-C-N 120.948 -1.095 . . . . 0.0 112.533 175.058 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.4 ' NE2' HG21 ' A' ' 146' ' ' ILE . 27.4 tp60 -69.99 -39.14 76.08 Favored 'General case' 0 CA--C 1.562 1.433 0 CA-C-O 116.682 -1.628 . . . . 0.0 111.407 -178.922 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -63.69 -33.6 76.01 Favored 'General case' 0 CA--C 1.581 2.138 0 CA-C-N 121.584 1.993 . . . . 0.0 109.921 173.361 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 24.3 mmt -59.75 -45.55 91.88 Favored 'General case' 0 CA--C 1.593 2.605 0 CA-C-N 121.203 1.819 . . . . 0.0 109.523 171.429 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.4 HG21 ' NE2' ' A' ' 143' ' ' GLN . 4.9 mm -58.23 -54.48 31.93 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.772 0 C-N-CA 124.398 1.079 . . . . 0.0 111.052 174.116 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -50.11 -42.34 50.24 Favored 'General case' 0 CA--C 1.561 1.389 0 N-CA-C 115.497 1.666 . . . . 0.0 115.497 -179.789 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -73.45 -32.84 64.58 Favored 'General case' 0 CA--C 1.588 2.438 0 N-CA-C 113.067 0.766 . . . . 0.0 113.067 175.369 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.509 ' HB1' HG22 ' A' ' 157' ' ' VAL . . . -78.5 -42.49 29.46 Favored 'General case' 0 CA--C 1.571 1.788 0 N-CA-C 118.79 2.885 . . . . 0.0 118.79 178.072 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.321 36.3 t0 -63.02 72.95 0.02 OUTLIER 'General case' 0 CA--C 1.591 2.551 0 C-N-CA 127.661 2.385 . . . . 0.0 112.987 -178.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -39.96 -50.09 2.5 Favored 'General case' 0 C--N 1.368 1.374 0 N-CA-C 121.506 3.891 . . . . 0.0 121.506 -175.793 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 8.7 p-10 -102.68 4.84 38.6 Favored 'General case' 0 CA--C 1.581 2.163 0 N-CA-C 114.187 1.18 . . . . 0.0 114.187 176.801 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 83.39 31.22 28.34 Favored Glycine 0 N--CA 1.491 2.36 0 N-CA-C 122.308 3.683 . . . . 0.0 122.308 177.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 14.2 p-10 -91.26 -20.71 21.62 Favored 'General case' 0 CA--C 1.581 2.156 0 CA-C-N 120.873 2.336 . . . . 0.0 115.662 176.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 112.63 9.91 18.04 Favored Glycine 0 CA--C 1.557 2.7 0 N-CA-C 116.879 1.512 . . . . 0.0 116.879 -177.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -149.52 152.37 35.47 Favored 'General case' 0 CA--C 1.573 1.857 0 CA-C-O 123.9 1.809 . . . . 0.0 112.106 -178.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.509 HG22 ' HB1' ' A' ' 149' ' ' ALA . 6.1 t -99.89 119.34 47.82 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.221 0 N-CA-C 104.501 -2.407 . . . . 0.0 104.501 -179.13 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 58.1 m -99.92 170.95 8.16 Favored 'General case' 0 CA--C 1.566 1.573 0 CA-C-O 122.185 0.993 . . . . 0.0 112.99 -177.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 5.0 mt-10 -55.72 -45.07 77.99 Favored 'General case' 0 N--CA 1.507 2.379 0 CA-C-O 117.134 -1.412 . . . . 0.0 112.814 -179.273 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -59.83 -37.59 79.64 Favored 'General case' 0 N--CA 1.494 1.762 0 CA-C-N 122.715 2.507 . . . . 0.0 114.586 175.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.282 3.3 tp10 -73.44 -32.79 64.58 Favored 'General case' 0 CA--C 1.587 2.403 0 CA-C-N 122.567 2.44 . . . . 0.0 110.863 174.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.483 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -57.86 -57.12 14.19 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.699 1.59 . . . . 0.0 112.292 176.46 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.414 ' H ' ' HG ' ' A' ' 163' ' ' LEU 0.258 1.7 pp -80.11 -43.09 22.31 Favored 'General case' 0 CA--C 1.574 1.888 0 CA-C-O 117.669 -1.158 . . . . 0.0 113.699 178.351 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 23.1 mmt85 -80.1 -34.81 37.65 Favored 'General case' 0 N--CA 1.502 2.166 0 N-CA-C 117.664 2.468 . . . . 0.0 117.664 178.624 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.7 tp . . . . . 0 N--CA 1.518 2.968 0 N-CA-C 118.505 2.78 . . . . 0.0 118.505 -179.28 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . 0.272 34.5 m-85 . . . . . 0 N--CA 1.508 2.44 0 N-CA-C 116.311 1.967 . . . . 0.0 116.311 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -56.0 -46.62 84.07 Favored Glycine 0 N--CA 1.5 2.946 0 CA-C-N 122.09 2.223 . . . . 0.0 113.5 174.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 24.7 t70 -58.89 -56.36 23.26 Favored 'General case' 0 CA--C 1.577 1.999 0 C-N-CA 124.573 1.149 . . . . 0.0 111.509 175.617 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.6 t80 -49.38 -48.68 46.73 Favored 'General case' 0 CA--C 1.586 2.349 0 CA-C-N 119.587 1.085 . . . . 0.0 113.047 176.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 44.7 tp -62.6 -47.94 81.58 Favored 'General case' 0 N--CA 1.489 1.522 0 C-N-CA 123.186 0.595 . . . . 0.0 111.885 175.681 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -56.99 -46.54 82.17 Favored 'General case' 0 N--CA 1.493 1.724 0 CA-C-O 117.846 -1.073 . . . . 0.0 110.634 176.369 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 75.3 t -51.71 -48.73 37.15 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.179 0 C-N-CA 125.126 1.37 . . . . 0.0 111.751 176.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.549 ' HG2' HD13 ' A' ' 133' ' ' LEU . 0.0 OUTLIER -63.71 -45.12 91.39 Favored 'General case' 0 CA--C 1.578 2.021 0 N-CA-C 114.206 1.187 . . . . 0.0 114.206 177.227 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 8.1 p -79.76 -38.88 32.21 Favored 'General case' 0 N--CA 1.501 2.1 0 N-CA-C 114.425 1.269 . . . . 0.0 114.425 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.4 pt20 -70.98 13.67 0.19 Allowed 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 117.688 2.477 . . . . 0.0 117.688 179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 48.5 tttp -51.84 -41.5 61.87 Favored 'General case' 0 CA--C 1.579 2.069 0 N-CA-C 114.666 1.358 . . . . 0.0 114.666 177.606 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 34.0 mmt -95.96 -63.07 1.19 Allowed 'General case' 0 CA--C 1.572 1.805 0 C-N-CA 123.924 0.89 . . . . 0.0 109.21 176.468 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 48.3 t -153.76 -79.93 0.1 Allowed 'General case' 0 N--CA 1.494 1.739 0 CA-C-N 119.252 0.933 . . . . 0.0 108.99 178.54 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . 0.283 2.6 mm-40 61.27 -159.74 0.31 Allowed 'General case' 0 CA--C 1.581 2.161 0 N-CA-C 116.753 2.131 . . . . 0.0 116.753 178.743 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -155.23 158.55 39.03 Favored 'General case' 0 N--CA 1.502 2.156 0 N-CA-C 118.182 2.66 . . . . 0.0 118.182 -174.63 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -169.83 149.17 3.68 Favored 'General case' 0 CA--C 1.576 1.955 0 CA-C-O 123.073 1.416 . . . . 0.0 109.735 175.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 2.4 t -175.73 80.05 0.02 OUTLIER 'General case' 0 N--CA 1.497 1.88 0 N-CA-C 107.128 -1.434 . . . . 0.0 107.128 177.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.273 0.0 OUTLIER 48.57 -172.43 0.02 OUTLIER 'General case' 0 N--CA 1.509 2.52 0 C-N-CA 126.173 1.789 . . . . 0.0 115.464 -178.369 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.4 tp10 68.99 -50.75 0.59 Allowed 'General case' 0 N--CA 1.526 3.364 0 CA-C-N 122.299 2.318 . . . . 0.0 113.493 -177.285 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 16.7 tp10 -62.34 -25.42 67.89 Favored 'General case' 0 CA--C 1.563 1.456 0 C-N-CA 125.715 1.606 . . . . 0.0 113.269 176.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.1 tt -50.35 -47.48 26.06 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.331 0 CA-C-N 121.447 1.93 . . . . 0.0 111.968 174.449 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.438 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 14.8 mt -72.63 -37.73 67.96 Favored 'General case' 0 CA--C 1.564 1.516 0 CA-C-N 114.321 -1.309 . . . . 0.0 112.22 179.744 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 32.4 mmtt -68.86 -35.99 77.59 Favored 'General case' 0 CA--C 1.569 1.673 0 CA-C-N 120.459 1.481 . . . . 0.0 111.095 175.23 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -63.72 -52.03 62.32 Favored 'General case' 0 CA--C 1.557 1.216 0 CA-C-N 121.507 1.958 . . . . 0.0 112.513 177.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.485 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 2.3 t80 -65.47 -44.96 85.53 Favored 'General case' 0 N--CA 1.49 1.566 0 CA-C-N 118.916 0.78 . . . . 0.0 111.838 176.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.1 tptt -65.59 -34.04 77.3 Favored 'General case' 0 CA--C 1.571 1.786 0 CA-C-O 117.198 -1.382 . . . . 0.0 112.31 178.746 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . 0.253 41.9 mt -73.42 -20.0 60.83 Favored 'General case' 0 CA--C 1.588 2.405 0 CA-C-N 122.306 2.321 . . . . 0.0 111.245 172.731 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.12 -46.0 72.09 Favored 'General case' 0 CA--C 1.572 1.821 0 CA-C-N 121.493 1.951 . . . . 0.0 112.478 171.887 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.4 p-10 -86.87 70.23 10.33 Favored 'General case' 0 CA--C 1.59 2.51 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -178.472 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -50.22 -18.12 0.54 Allowed 'General case' 0 N--CA 1.517 2.905 0 O-C-N 118.399 -2.688 . . . . 0.0 116.539 177.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 42.6 m-20 -86.33 -4.71 59.22 Favored 'General case' 0 CA--C 1.584 2.277 0 CA-C-N 121.455 1.934 . . . . 0.0 112.951 176.394 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 20.4 tp10 81.03 -13.9 0.88 Allowed 'General case' 0 N--CA 1.516 2.831 0 N-CA-C 118.537 2.792 . . . . 0.0 118.537 179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 35.2 p -57.81 -37.38 73.69 Favored 'General case' 0 N--CA 1.493 1.679 0 C-N-CA 126.907 2.083 . . . . 0.0 113.909 178.692 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 72.17 56.26 6.45 Favored Glycine 0 N--CA 1.476 1.355 0 N-CA-C 117.399 1.72 . . . . 0.0 117.399 178.48 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 2.0 mptp? -145.29 110.32 5.17 Favored 'General case' 0 CA--C 1.56 1.352 0 N-CA-C 106.047 -1.835 . . . . 0.0 106.047 178.886 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.8 mp -99.92 122.62 52.01 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.142 0 N-CA-C 106.373 -1.714 . . . . 0.0 106.373 178.367 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 68.3 p -99.96 168.0 10.14 Favored 'General case' 0 CA--C 1.577 1.99 0 CA-C-N 111.917 -2.402 . . . . 0.0 107.58 176.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 82.0 t80 -55.21 -36.16 65.65 Favored 'General case' 0 N--CA 1.506 2.363 0 N-CA-C 115.939 1.829 . . . . 0.0 115.939 179.031 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.6 mptm? -64.26 -41.91 96.73 Favored 'General case' 0 CA--C 1.57 1.719 0 O-C-N 121.343 -0.848 . . . . 0.0 112.345 178.199 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -64.49 -33.94 77.05 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-N 120.205 1.366 . . . . 0.0 109.574 174.527 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 83.9 mt -55.5 -49.26 73.03 Favored 'General case' 0 N--CA 1.501 2.101 0 CA-C-N 120.062 1.301 . . . . 0.0 111.245 173.766 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 19.5 mtpt -56.04 -52.78 63.02 Favored 'General case' 0 N--CA 1.499 1.993 0 C-N-CA 124.461 1.104 . . . . 0.0 110.851 175.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 22.4 mmt-85 -49.63 -52.95 27.04 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 123.372 0.669 . . . . 0.0 112.484 175.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 40.5 t -71.67 -39.1 68.81 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.516 0 N-CA-C 113.403 0.89 . . . . 0.0 113.403 -179.393 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -52.98 -49.07 66.86 Favored 'General case' 0 N--CA 1.488 1.439 0 CA-C-N 119.743 1.156 . . . . 0.0 112.85 177.282 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.62 -27.42 51.15 Favored 'General case' 0 CA--C 1.578 2.049 0 CA-C-O 117.664 -1.16 . . . . 0.0 113.336 173.775 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 33.2 tt0 -77.37 -34.61 54.98 Favored 'General case' 0 N--CA 1.493 1.69 0 N-CA-C 117.772 2.508 . . . . 0.0 117.772 179.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.549 HD13 ' HG2' ' A' ' 93' ' ' MET . 21.1 mt -70.55 -72.24 0.21 Allowed 'General case' 0 CA--C 1.564 1.519 0 CA-C-N 120.868 1.667 . . . . 0.0 113.42 179.307 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 177.14 -45.95 0.1 Allowed Glycine 0 N--CA 1.487 2.057 0 N-CA-C 116.304 1.282 . . . . 0.0 116.304 -179.804 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.462 ' HB2' ' SD ' ' A' ' 93' ' ' MET . 6.4 mm-40 -101.17 95.14 6.35 Favored 'General case' 0 N--CA 1.494 1.733 0 CA-C-N 119.08 1.44 . . . . 0.0 109.386 -179.478 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -84.24 117.59 23.63 Favored 'General case' 0 CA--C 1.562 1.43 0 O-C-N 121.448 -0.782 . . . . 0.0 111.548 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -83.88 -122.93 0.03 OUTLIER 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 108.951 -0.759 . . . . 0.0 108.951 177.565 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.499 ' O ' HD13 ' A' ' 142' ' ' LEU . 14.7 t -145.91 163.86 33.8 Favored 'General case' 0 CA--C 1.575 1.906 0 O-C-N 120.678 -1.264 . . . . 0.0 109.827 179.338 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . 0.262 0.5 OUTLIER -54.19 -43.11 70.45 Favored 'General case' 0 CA--C 1.602 2.976 0 CA-C-N 115.07 -0.968 . . . . 0.0 113.241 -176.842 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -63.9 -43.46 95.94 Favored 'General case' 0 CA--C 1.569 1.691 0 C-N-CA 128.054 2.542 . . . . 0.0 113.222 175.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 2.4 mm-40 -55.69 -52.59 63.35 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 120.877 1.671 . . . . 0.0 109.783 174.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.499 HD13 ' O ' ' A' ' 138' ' ' THR . 1.3 mp -57.57 -39.16 76.08 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 114.108 1.151 . . . . 0.0 114.108 174.233 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.252 25.8 tp60 -71.28 -35.13 71.24 Favored 'General case' 0 CA--C 1.567 1.614 0 CA-C-N 119.746 1.157 . . . . 0.0 110.66 -179.249 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 43.4 mt-10 -60.69 -40.78 93.43 Favored 'General case' 0 CA--C 1.583 2.248 0 CA-C-N 119.476 1.035 . . . . 0.0 109.424 173.143 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 52.4 mmm -60.64 -40.41 91.85 Favored 'General case' 0 CA--C 1.579 2.076 0 C-N-CA 124.199 1.0 . . . . 0.0 111.648 173.841 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.2 mm -65.05 -58.29 7.65 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 125.12 1.368 . . . . 0.0 111.804 175.277 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -56.46 -36.94 69.61 Favored 'General case' 0 N--CA 1.5 2.037 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 -178.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -70.79 -42.37 70.41 Favored 'General case' 0 CA--C 1.591 2.519 0 CA-C-N 119.831 1.196 . . . . 0.0 112.656 172.812 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.599 ' HB1' HG22 ' A' ' 157' ' ' VAL . . . -77.95 9.65 3.45 Favored 'General case' 0 CA--C 1.576 1.959 0 N-CA-C 120.116 3.376 . . . . 0.0 120.116 178.816 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.251 0.0 OUTLIER -97.77 21.24 10.74 Favored 'General case' 0 CA--C 1.593 2.621 0 N-CA-C 117.937 2.569 . . . . 0.0 117.937 -176.678 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -59.29 -25.15 63.87 Favored 'General case' 0 N--CA 1.497 1.909 0 N-CA-C 119.766 3.247 . . . . 0.0 119.766 -176.706 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 18.2 t0 -67.63 -23.93 65.41 Favored 'General case' 0 CA--C 1.598 2.809 0 CA-C-N 119.827 1.194 . . . . 0.0 111.068 173.714 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 96.36 49.88 1.95 Allowed Glycine 0 N--CA 1.488 2.155 0 N-CA-C 119.924 2.73 . . . . 0.0 119.924 176.541 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.5 p30 -135.84 -0.36 2.58 Favored 'General case' 0 CA--C 1.578 2.044 0 CA-C-O 116.905 -1.521 . . . . 0.0 113.759 178.775 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 71.31 13.09 73.4 Favored Glycine 0 N--CA 1.509 3.551 0 CA-C-N 123.506 2.866 . . . . 0.0 117.202 -176.499 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -147.28 174.48 11.59 Favored 'General case' 0 CA--C 1.584 2.26 0 C-N-CA 127.737 2.415 . . . . 0.0 106.505 -179.197 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.599 HG22 ' HB1' ' A' ' 149' ' ' ALA . 12.2 t -99.92 120.56 49.5 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.628 0 O-C-N 117.87 -3.019 . . . . 0.0 105.991 179.924 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.94 172.2 7.37 Favored 'General case' 0 CA--C 1.568 1.65 0 CA-C-O 123.613 1.673 . . . . 0.0 112.664 -177.599 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.25 2.9 pm0 -55.24 -40.33 70.79 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 114.803 1.408 . . . . 0.0 114.803 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 4.4 mp0 -63.21 -36.74 84.65 Favored 'General case' 0 CA--C 1.583 2.217 0 CA-C-N 120.824 1.647 . . . . 0.0 112.017 175.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 6.7 mt-10 -76.75 -20.0 56.99 Favored 'General case' 0 N--CA 1.508 2.439 0 CA-C-N 120.88 1.673 . . . . 0.0 112.3 175.833 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.485 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 3.5 t80 -69.8 -54.17 14.88 Favored 'General case' 0 CA--C 1.557 1.241 0 C-N-CA 125.74 1.616 . . . . 0.0 109.946 174.549 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.06 -47.07 15.44 Favored 'General case' 0 CA--C 1.582 2.183 0 CA-C-O 118.118 -0.944 . . . . 0.0 112.878 176.849 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 26.5 mmt180 -80.07 -21.86 42.9 Favored 'General case' 0 N--CA 1.502 2.129 0 N-CA-C 118.413 2.746 . . . . 0.0 118.413 179.716 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 3.2 tp . . . . . 0 N--CA 1.522 3.164 0 N-CA-C 118.375 2.732 . . . . 0.0 118.375 -178.698 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 77.2 m-85 . . . . . 0 N--CA 1.51 2.561 0 N-CA-C 118.75 2.87 . . . . 0.0 118.75 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -52.18 -49.68 49.16 Favored Glycine 0 N--CA 1.498 2.779 0 CA-C-N 120.781 1.628 . . . . 0.0 114.318 177.343 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 6.9 p-10 -57.08 -49.57 75.46 Favored 'General case' 0 CA--C 1.573 1.864 0 C-N-CA 124.264 1.025 . . . . 0.0 113.755 175.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . 0.268 58.5 t80 -55.45 -45.88 76.82 Favored 'General case' 0 CA--C 1.586 2.365 0 C-N-CA 124.913 1.285 . . . . 0.0 111.979 176.116 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.47 -53.89 50.5 Favored 'General case' 0 CA--C 1.562 1.44 0 CA-C-O 118.456 -0.783 . . . . 0.0 111.906 174.658 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.81 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 6.6 t -59.22 -30.68 68.41 Favored 'General case' 0 N--CA 1.502 2.143 0 CA-C-N 119.103 0.865 . . . . 0.0 112.788 177.173 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 44.3 t -61.43 -47.38 93.7 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.137 0 CA-C-N 120.577 1.535 . . . . 0.0 108.928 172.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.415 ' SD ' ' C ' ' A' ' 93' ' ' MET . 1.0 OUTLIER -62.1 -57.13 12.72 Favored 'General case' 0 N--CA 1.507 2.395 0 CA-C-N 120.326 1.421 . . . . 0.0 111.517 173.249 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.81 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 51.3 p -50.93 -51.89 47.72 Favored 'General case' 0 N--CA 1.511 2.606 0 N-CA-C 114.881 1.437 . . . . 0.0 114.881 -178.724 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.411 ' NE2' ' OG1' ' A' ' 91' ' ' THR . 39.6 mt-30 -62.81 -12.91 27.55 Favored 'General case' 0 N--CA 1.501 2.077 0 N-CA-C 116.981 2.215 . . . . 0.0 116.981 179.053 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -54.61 -40.97 69.42 Favored 'General case' 0 N--CA 1.497 1.882 0 CA-C-N 120.647 1.567 . . . . 0.0 114.544 177.881 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 13.8 tpt -113.8 54.68 0.74 Allowed 'General case' 0 CA--C 1.58 2.108 0 C-N-CA 123.65 0.78 . . . . 0.0 109.977 176.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 46.9 m 65.38 -75.64 0.05 OUTLIER 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 115.434 1.642 . . . . 0.0 115.434 -179.592 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . 0.251 18.4 mm-40 57.29 -115.78 0.9 Allowed 'General case' 0 CA--C 1.578 2.028 0 N-CA-C 114.943 1.461 . . . . 0.0 114.943 -179.701 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -160.04 -68.45 0.07 Allowed 'General case' 0 N--CA 1.496 1.875 0 CA-C-N 120.955 1.707 . . . . 0.0 110.017 -179.554 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 13.5 m-20 50.28 100.82 0.01 OUTLIER 'General case' 0 CA--C 1.576 1.974 0 N-CA-C 118.404 2.742 . . . . 0.0 118.404 177.327 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.1 t -166.01 86.97 0.36 Allowed 'General case' 0 N--CA 1.501 2.12 0 O-C-N 120.277 -1.515 . . . . 0.0 110.33 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 6.6 pttm 59.76 177.79 0.09 Allowed 'General case' 0 N--CA 1.512 2.643 0 N-CA-C 115.841 1.793 . . . . 0.0 115.841 -178.605 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 12.1 tt0 69.99 -38.9 0.42 Allowed 'General case' 0 N--CA 1.524 3.261 0 O-C-N 119.364 -2.085 . . . . 0.0 111.994 -173.437 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 12.7 mp0 -54.77 -35.6 63.98 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 127.013 2.125 . . . . 0.0 111.852 175.209 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.3 tt -56.91 -42.42 78.45 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.366 0 CA-C-N 121.446 1.93 . . . . 0.0 111.529 175.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.478 ' HA ' ' HE1' ' A' ' 162' ' ' PHE . 1.2 mp -71.54 -43.23 66.79 Favored 'General case' 0 N--CA 1.489 1.484 0 CA-C-O 118.301 -0.857 . . . . 0.0 113.088 176.751 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 5.0 mptp? -66.82 -40.48 88.05 Favored 'General case' 0 N--CA 1.488 1.474 0 CA-C-N 120.361 1.437 . . . . 0.0 112.252 175.527 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -64.23 -49.54 71.54 Favored 'General case' 0 N--CA 1.48 1.053 0 CA-C-N 121.145 1.793 . . . . 0.0 113.416 177.708 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.51 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 21.3 t80 -67.76 -44.39 77.61 Favored 'General case' 0 N--CA 1.488 1.475 0 CA-C-N 120.001 1.273 . . . . 0.0 112.09 177.854 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 3.6 mmtp -66.22 -38.19 87.34 Favored 'General case' 0 CA--C 1.579 2.081 0 CA-C-O 116.804 -1.57 . . . . 0.0 111.207 178.636 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 63.3 mt -74.25 -19.95 60.33 Favored 'General case' 0 CA--C 1.58 2.121 0 CA-C-N 122.765 2.529 . . . . 0.0 112.869 175.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -68.61 -42.44 78.1 Favored 'General case' 0 CA--C 1.569 1.684 0 CA-C-N 121.419 1.918 . . . . 0.0 111.53 172.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -85.83 78.79 9.46 Favored 'General case' 0 CA--C 1.592 2.58 0 N-CA-C 106.998 -1.482 . . . . 0.0 106.998 178.273 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -48.75 -18.85 0.3 Allowed 'General case' 0 N--CA 1.516 2.835 0 CA-C-N 123.362 2.801 . . . . 0.0 116.909 178.318 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -90.14 -2.99 58.15 Favored 'General case' 0 CA--C 1.592 2.581 0 CA-C-N 121.175 1.807 . . . . 0.0 111.564 175.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 50.6 tp10 71.12 -5.98 1.42 Allowed 'General case' 0 CA--C 1.578 2.057 0 N-CA-C 117.499 2.407 . . . . 0.0 117.499 178.094 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 6.8 p -56.48 -42.93 79.11 Favored 'General case' 0 N--CA 1.498 1.943 0 C-N-CA 125.562 1.545 . . . . 0.0 112.697 177.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 93.83 69.02 1.08 Allowed Glycine 0 CA--C 1.538 1.495 0 N-CA-C 116.941 1.536 . . . . 0.0 116.941 179.107 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -150.87 109.87 3.9 Favored 'General case' 0 CA--C 1.574 1.885 0 CA-C-N 117.86 0.83 . . . . 0.0 109.753 178.729 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.7 mp -106.26 131.36 56.13 Favored 'Isoleucine or valine' 0 N--CA 1.51 2.563 0 CA-C-N 120.806 1.639 . . . . 0.0 109.13 178.239 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 64.6 p -107.41 166.0 10.98 Favored 'General case' 0 CA--C 1.581 2.168 0 CA-C-N 113.231 -1.804 . . . . 0.0 107.481 173.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 3.7 t80 -48.33 -47.23 37.01 Favored 'General case' 0 N--CA 1.512 2.645 0 N-CA-C 116.953 2.205 . . . . 0.0 116.953 179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 30.8 mtpp -56.73 -38.12 71.92 Favored 'General case' 0 CA--C 1.579 2.079 0 CA-C-N 114.266 -1.334 . . . . 0.0 113.423 178.792 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -68.09 -37.34 81.1 Favored 'General case' 0 CA--C 1.59 2.501 0 CA-C-N 121.003 1.728 . . . . 0.0 108.882 174.758 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 8.2 mt -53.08 -45.72 68.31 Favored 'General case' 0 N--CA 1.518 2.943 0 CA-C-N 120.503 1.501 . . . . 0.0 110.803 172.099 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 24.4 mmtp -56.8 -46.8 81.34 Favored 'General case' 0 N--CA 1.49 1.569 0 C-N-CA 124.747 1.219 . . . . 0.0 111.649 174.087 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -50.49 -58.25 6.19 Favored 'General case' 0 N--CA 1.505 2.308 0 CA-C-O 121.475 0.655 . . . . 0.0 112.426 175.795 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 8.6 t -65.4 -34.56 71.31 Favored 'Isoleucine or valine' 0 N--CA 1.508 2.455 0 CA-C-N 114.457 -1.247 . . . . 0.0 112.717 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -61.52 -30.45 70.64 Favored 'General case' 0 CA--C 1.578 2.057 0 CA-C-N 119.033 0.833 . . . . 0.0 112.636 173.733 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.14 -43.02 35.55 Favored 'General case' 0 CA--C 1.57 1.723 0 CA-C-O 117.174 -1.393 . . . . 0.0 110.294 173.356 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.6 mp0 -54.02 -45.96 71.68 Favored 'General case' 0 N--CA 1.506 2.339 0 CA-C-N 121.199 1.818 . . . . 0.0 113.453 174.411 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . 0.347 5.4 mp -69.77 -65.7 0.68 Allowed 'General case' 0 CA--C 1.553 1.087 0 C-N-CA 127.193 2.197 . . . . 0.0 111.735 175.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 79.11 -32.29 2.01 Favored Glycine 0 CA--C 1.559 2.825 0 N-CA-C 114.72 0.648 . . . . 0.0 114.72 -176.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -106.41 68.1 0.75 Allowed 'General case' 0 N--CA 1.493 1.689 0 C-N-CA 125.243 1.417 . . . . 0.0 110.53 -179.548 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 3.6 p30 -144.79 -93.39 0.1 Allowed 'General case' 0 CA--C 1.567 1.609 0 O-C-N 120.709 -1.244 . . . . 0.0 111.815 -176.228 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.403 ' CD2' HD23 ' A' ' 142' ' ' LEU 0.254 0.0 OUTLIER -144.69 -146.24 0.18 Allowed 'General case' 0 CA--C 1.582 2.209 0 CA-C-N 120.742 1.61 . . . . 0.0 112.572 -179.214 . . . . . . . . 4 4 . 1 . 014 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 5.0 t -137.1 171.44 14.5 Favored 'General case' 0 N--CA 1.499 2.005 0 O-C-N 119.972 -1.705 . . . . 0.0 112.222 -177.195 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 2.4 p-10 -39.9 -54.41 2.17 Favored 'General case' 0 CA--C 1.566 1.571 0 N-CA-C 117.351 2.352 . . . . 0.0 117.351 177.06 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -62.34 -47.65 83.27 Favored 'General case' 0 CA--C 1.57 1.737 0 CA-C-N 113.544 -1.662 . . . . 0.0 112.07 178.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -62.58 -43.4 98.9 Favored 'General case' 0 CA--C 1.584 2.284 0 C-N-CA 123.706 0.803 . . . . 0.0 111.952 176.232 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.403 HD23 ' CD2' ' A' ' 137' ' ' LEU . 50.2 mt -56.08 -45.56 79.33 Favored 'General case' 0 CA--C 1.58 2.12 0 O-C-N 119.786 -1.821 . . . . 0.0 111.313 173.437 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.441 HE22 HG21 ' A' ' 146' ' ' ILE . 0.9 OUTLIER -66.4 -32.95 74.65 Favored 'General case' 0 CA--C 1.573 1.846 0 O-C-N 121.209 -0.932 . . . . 0.0 112.772 177.009 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -61.81 -44.04 97.66 Favored 'General case' 0 CA--C 1.582 2.196 0 CA-C-N 120.496 1.498 . . . . 0.0 110.173 174.067 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 20.1 ptp -64.55 -34.11 77.48 Favored 'General case' 0 CA--C 1.582 2.183 0 CA-C-N 119.878 1.217 . . . . 0.0 111.448 174.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.441 HG21 HE22 ' A' ' 143' ' ' GLN . 6.9 mm -60.29 -60.04 3.18 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.465 0 CA-C-N 120.582 1.537 . . . . 0.0 109.505 173.344 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.36 -35.3 62.63 Favored 'General case' 0 N--CA 1.506 2.337 0 CA-C-N 119.695 1.134 . . . . 0.0 113.537 -178.217 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 6.8 pt-20 -68.94 -40.33 79.04 Favored 'General case' 0 CA--C 1.6 2.871 0 CA-C-N 121.322 1.874 . . . . 0.0 111.788 172.242 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -77.28 -24.74 50.97 Favored 'General case' 0 CA--C 1.575 1.918 0 N-CA-C 119.286 3.069 . . . . 0.0 119.286 177.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -66.83 27.41 0.02 OUTLIER 'General case' 0 CA--C 1.584 2.254 0 N-CA-C 120.799 3.629 . . . . 0.0 120.799 -176.495 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -53.95 -33.6 57.28 Favored 'General case' 0 N--CA 1.491 1.613 0 N-CA-C 118.365 2.728 . . . . 0.0 118.365 -176.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 29.9 m-20 -71.3 -26.5 62.88 Favored 'General case' 0 CA--C 1.578 2.042 0 CA-C-O 116.415 -1.755 . . . . 0.0 113.357 175.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 149.58 138.0 2.86 Favored Glycine 0 CA--C 1.554 2.481 0 CA-C-N 123.241 2.746 . . . . 0.0 119.918 178.925 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER 52.55 7.44 0.06 Allowed 'General case' 0 CA--C 1.579 2.076 1 N-CA-C 122.281 4.178 . . . . 0.0 122.281 173.59 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 104.56 41.87 1.95 Allowed Glycine 0 N--CA 1.496 2.669 0 CA-C-N 124.212 3.187 . . . . 0.0 118.038 179.698 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.4 pt-20 -156.26 145.39 20.51 Favored 'General case' 0 CA--C 1.572 1.82 0 N-CA-C 107.093 -1.447 . . . . 0.0 107.093 178.173 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.3 t -99.82 121.22 50.24 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.159 0 C-N-CA 124.137 0.975 . . . . 0.0 109.914 -174.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.7 t -100.22 175.38 5.75 Favored 'General case' 0 CA--C 1.568 1.652 0 CA-C-O 124.075 1.893 . . . . 0.0 112.109 179.305 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -51.22 -50.05 59.86 Favored 'General case' 0 N--CA 1.49 1.558 0 CA-C-O 115.584 -2.15 . . . . 0.0 115.369 177.822 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.505 ' HA ' HD11 ' A' ' 163' ' ' LEU . 3.4 pp0? -62.16 -32.28 72.87 Favored 'General case' 0 CA--C 1.573 1.852 0 CA-C-N 123.641 2.928 . . . . 0.0 114.543 178.449 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.431 ' H ' ' HG2' ' A' ' 161' ' ' GLU . 0.5 OUTLIER -75.15 -29.92 60.61 Favored 'General case' 0 CA--C 1.577 1.984 0 CA-C-N 120.616 1.553 . . . . 0.0 111.906 175.038 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.51 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.3 OUTLIER -62.79 -58.43 7.44 Favored 'General case' 0 CA--C 1.556 1.204 0 C-N-CA 125.471 1.508 . . . . 0.0 112.787 176.13 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.505 HD11 ' HA ' ' A' ' 160' ' ' GLN . 0.4 OUTLIER -80.07 -33.31 39.03 Favored 'General case' 0 CA--C 1.574 1.897 0 N-CA-C 113.985 1.105 . . . . 0.0 113.985 -178.254 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 60.2 ttp85 -75.64 -19.91 58.87 Favored 'General case' 0 CA--C 1.576 1.953 0 CA-C-N 121.45 1.932 . . . . 0.0 116.046 177.576 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 9.2 tp . . . . . 0 N--CA 1.521 3.095 0 N-CA-C 118.196 2.665 . . . . 0.0 118.196 -179.709 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.4 m-30 . . . . . 0 N--CA 1.493 1.695 0 CA-C-O 117.331 -1.318 . . . . 0.0 114.119 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -60.12 -45.74 95.45 Favored Glycine 0 N--CA 1.491 2.362 0 CA-C-N 121.567 1.985 . . . . 0.0 115.43 179.756 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 7.8 t70 -67.5 -55.51 13.27 Favored 'General case' 0 CA--C 1.572 1.812 0 CA-C-O 117.092 -1.432 . . . . 0.0 111.193 177.845 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 25.7 t80 -47.51 -49.31 26.29 Favored 'General case' 0 N--CA 1.507 2.394 0 CA-C-N 120.399 1.454 . . . . 0.0 114.238 177.079 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 14.4 tp -65.25 -47.85 75.31 Favored 'General case' 0 CA--C 1.563 1.443 0 CA-C-O 118.819 -0.61 . . . . 0.0 111.703 176.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.4 m -57.53 -40.06 77.94 Favored 'General case' 0 N--CA 1.502 2.141 0 N-CA-C 113.579 0.955 . . . . 0.0 113.579 175.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.81 -48.13 90.23 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.605 0 C-N-CA 125.77 1.628 . . . . 0.0 111.621 176.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.553 ' SD ' ' HB3' ' A' ' 135' ' ' GLU . 0.0 OUTLIER -70.48 -41.7 72.36 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 112.837 0.681 . . . . 0.0 112.837 176.932 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.437 ' OG1' ' O ' ' A' ' 100' ' ' LYS . 80.0 p -67.41 -52.02 44.75 Favored 'General case' 0 N--CA 1.504 2.228 0 CA-C-O 118.515 -0.755 . . . . 0.0 110.971 177.594 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 22.2 tt0 -58.38 -33.41 69.57 Favored 'General case' 0 CA--C 1.576 1.961 0 N-CA-C 115.555 1.687 . . . . 0.0 115.555 177.129 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 58.8 mtpt -79.45 102.04 8.53 Favored 'General case' 0 CA--C 1.568 1.666 0 CA-C-N 119.549 1.068 . . . . 0.0 109.456 177.732 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 34.0 ttp 76.12 -39.48 0.37 Allowed 'General case' 0 N--CA 1.504 2.261 0 N-CA-C 117.495 2.406 . . . . 0.0 117.495 179.439 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.2 t -77.67 -79.07 0.12 Allowed 'General case' 0 N--CA 1.497 1.89 0 CA-C-N 122.067 2.212 . . . . 0.0 113.982 -179.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -154.63 -83.33 0.07 Allowed 'General case' 0 N--CA 1.495 1.785 0 CA-C-N 121.409 1.913 . . . . 0.0 112.249 178.8 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . 0.437 ' O ' ' OG1' ' A' ' 94' ' ' THR . 0.7 OUTLIER -168.04 -71.48 0.02 OUTLIER 'General case' 0 N--CA 1.504 2.233 0 CA-C-N 121.577 1.989 . . . . 0.0 113.585 -178.893 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 23.9 t0 71.07 144.17 0.06 Allowed 'General case' 0 N--CA 1.504 2.269 0 C-N-CA 125.818 1.647 . . . . 0.0 113.619 -177.849 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.5 t -173.69 125.29 0.38 Allowed 'General case' 0 N--CA 1.509 2.516 0 O-C-N 120.275 -1.516 . . . . 0.0 111.825 -179.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.259 0.0 OUTLIER 56.27 167.36 0.03 OUTLIER 'General case' 0 N--CA 1.509 2.48 0 C-N-CA 127.141 2.176 . . . . 0.0 115.89 -178.475 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 66.42 -48.66 0.44 Allowed 'General case' 0 N--CA 1.524 3.266 0 CA-C-N 122.326 2.33 . . . . 0.0 112.031 -172.398 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.98 -35.06 6.15 Favored 'General case' 0 CA--C 1.55 0.968 0 C-N-CA 128.587 2.755 . . . . 0.0 114.466 175.554 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 6.0 tt -60.48 -41.32 87.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.827 0 CA-C-N 120.497 1.498 . . . . 0.0 111.701 176.286 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.496 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 0.5 OUTLIER -71.78 -46.91 56.78 Favored 'General case' 0 CA--C 1.558 1.256 0 N-CA-C 113.143 0.794 . . . . 0.0 113.143 -179.776 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.3 mptt -67.62 -41.26 84.22 Favored 'General case' 0 N--CA 1.486 1.369 0 CA-C-O 117.487 -1.244 . . . . 0.0 112.534 176.513 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -68.16 -44.65 75.49 Favored 'General case' 0 C--N 1.358 0.939 0 CA-C-N 121.068 1.758 . . . . 0.0 113.167 178.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.522 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 6.3 t80 -67.15 -43.9 81.13 Favored 'General case' 0 N--CA 1.481 1.09 0 CA-C-N 121.61 2.004 . . . . 0.0 112.836 178.634 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . 0.25 7.6 tptt -67.75 -32.42 73.02 Favored 'General case' 0 CA--C 1.58 2.12 0 CA-C-N 120.977 1.717 . . . . 0.0 111.826 178.742 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 49.3 mt -80.02 -19.94 46.55 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-N 122.401 2.364 . . . . 0.0 112.179 172.939 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -65.18 -43.77 90.61 Favored 'General case' 0 CA--C 1.568 1.667 0 CA-C-N 121.642 2.019 . . . . 0.0 111.58 172.822 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -83.98 84.48 7.57 Favored 'General case' 0 CA--C 1.587 2.397 0 CA-C-O 118.263 -0.875 . . . . 0.0 108.938 -179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -44.39 -15.67 0.02 OUTLIER 'General case' 0 CA--C 1.604 3.035 0 N-CA-C 117.782 2.512 . . . . 0.0 117.782 176.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -99.51 -11.26 21.22 Favored 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 120.619 1.554 . . . . 0.0 112.77 176.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 7.2 mt-10 71.04 1.02 3.63 Favored 'General case' 0 N--CA 1.505 2.286 0 N-CA-C 116.089 1.885 . . . . 0.0 116.089 -177.375 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 8.8 t -69.78 -26.28 64.2 Favored 'General case' 0 CA--C 1.582 2.175 0 C-N-CA 125.566 1.546 . . . . 0.0 111.109 175.726 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 77.15 69.09 1.43 Allowed Glycine 0 C--N 1.359 1.813 0 N-CA-C 120.595 2.998 . . . . 0.0 120.595 175.445 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 12.7 mmtt -149.5 109.87 4.19 Favored 'General case' 0 CA--C 1.568 1.64 0 N-CA-C 106.082 -1.821 . . . . 0.0 106.082 175.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.6 mp -108.16 128.11 63.86 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.273 0 CA-C-O 122.544 1.164 . . . . 0.0 108.711 179.377 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 56.9 p -102.45 170.81 7.83 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-N 112.991 -1.913 . . . . 0.0 107.724 174.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.444 ' HE1' HD22 ' A' ' 142' ' ' LEU . 4.7 t80 -56.06 -35.05 66.51 Favored 'General case' 0 N--CA 1.511 2.591 0 O-C-N 120.442 -1.411 . . . . 0.0 114.68 179.052 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -58.09 -45.79 86.6 Favored 'General case' 0 CA--C 1.578 2.029 0 O-C-N 120.551 -1.343 . . . . 0.0 112.66 178.233 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -67.97 -31.91 71.96 Favored 'General case' 0 CA--C 1.576 1.98 0 O-C-N 121.062 -1.024 . . . . 0.0 111.471 175.87 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 85.5 mt -56.83 -48.33 78.28 Favored 'General case' 0 N--CA 1.498 1.942 0 CA-C-N 120.708 1.595 . . . . 0.0 111.263 174.264 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.337 0.0 OUTLIER -70.6 -28.26 64.73 Favored 'General case' 0 CA--C 1.581 2.145 0 CA-C-O 116.647 -1.644 . . . . 0.0 111.034 177.218 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 41.7 mtm180 -57.4 -57.2 13.71 Favored 'General case' 0 N--CA 1.498 1.965 0 CA-C-N 121.832 2.105 . . . . 0.0 108.506 172.086 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.404 HG12 ' HB2' ' A' ' 133' ' ' LEU 0.337 0.1 OUTLIER -67.53 -41.89 86.33 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.466 0 CA-C-O 117.399 -1.286 . . . . 0.0 111.973 -178.92 . . . . . . . . 4 4 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -45.05 -46.78 11.64 Favored 'General case' 0 CA--C 1.576 1.976 0 CA-C-N 121.269 1.85 . . . . 0.0 112.567 174.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 26.2 mtpp -66.34 -41.52 89.45 Favored 'General case' 0 CA--C 1.59 2.51 0 O-C-N 121.118 -0.989 . . . . 0.0 112.865 173.505 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 62.0 mt-10 -72.37 -60.08 2.41 Favored 'General case' 0 N--CA 1.496 1.873 0 N-CA-C 121.376 3.843 . . . . 0.0 121.376 -179.658 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.404 ' HB2' HG12 ' A' ' 129' ' ' VAL 0.488 20.6 tp -33.16 -51.14 0.32 Allowed 'General case' 0 CA--C 1.56 1.362 1 N-CA-C 122.353 4.205 . . . . 0.0 122.353 -177.836 . . . . . . . . 4 3 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 152.64 -23.14 0.83 Allowed Glycine 0 CA--C 1.548 2.118 0 CA-C-N 112.162 -2.29 . . . . 0.0 111.98 -176.562 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . 0.553 ' HB3' ' SD ' ' A' ' 93' ' ' MET . 0.6 OUTLIER -151.37 136.23 17.27 Favored 'General case' 0 N--CA 1.496 1.862 0 CA-C-N 120.763 2.281 . . . . 0.0 109.909 179.766 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 7.9 t30 -93.5 -42.94 8.97 Favored 'General case' 0 N--CA 1.488 1.45 0 N-CA-C 117.811 2.523 . . . . 0.0 117.811 -178.332 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 9.3 tp 66.54 -118.17 0.27 Allowed 'General case' 0 N--CA 1.501 2.101 0 CA-C-O 117.195 -1.384 . . . . 0.0 108.152 -176.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.473 ' O ' HD13 ' A' ' 142' ' ' LEU . 1.7 t -156.71 158.73 37.45 Favored 'General case' 0 CA--C 1.566 1.58 0 CA-C-O 126.036 2.827 . . . . 0.0 111.769 177.107 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 4.9 p30 -39.94 -50.26 2.49 Favored 'General case' 0 CA--C 1.577 1.994 0 CA-C-N 109.851 -3.34 . . . . 0.0 116.888 175.432 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -64.23 -41.33 97.06 Favored 'General case' 0 CA--C 1.574 1.894 0 C-N-CA 125.945 1.698 . . . . 0.0 112.44 178.866 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 18.6 mm-40 -60.5 -47.5 85.86 Favored 'General case' 0 N--CA 1.502 2.174 0 C-N-CA 123.836 0.854 . . . . 0.0 110.488 174.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.473 HD13 ' O ' ' A' ' 138' ' ' THR . 2.6 mp -55.68 -46.54 77.56 Favored 'General case' 0 CA--C 1.563 1.449 0 O-C-N 120.726 -1.234 . . . . 0.0 113.074 174.294 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.25 1.0 OUTLIER -66.57 -30.41 70.7 Favored 'General case' 0 CA--C 1.576 1.955 0 CA-C-O 118.101 -0.952 . . . . 0.0 113.13 177.512 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -63.02 -46.0 89.66 Favored 'General case' 0 CA--C 1.581 2.138 0 CA-C-N 120.527 1.512 . . . . 0.0 110.089 173.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 10.1 ptt? -64.13 -33.54 76.01 Favored 'General case' 0 N--CA 1.501 2.075 0 O-C-N 120.745 -1.222 . . . . 0.0 111.775 175.003 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.7 mm -59.49 -55.03 26.44 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.681 0 CA-C-N 121.643 2.02 . . . . 0.0 109.848 172.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -54.02 -39.27 65.98 Favored 'General case' 0 N--CA 1.495 1.801 0 CA-C-O 117.41 -1.281 . . . . 0.0 113.3 179.983 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -69.54 -51.23 37.44 Favored 'General case' 0 CA--C 1.592 2.563 0 CA-C-N 121.177 1.808 . . . . 0.0 111.223 172.798 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -58.5 -36.89 74.47 Favored 'General case' 0 CA--C 1.557 1.242 0 N-CA-C 120.485 3.513 . . . . 0.0 120.485 -179.245 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 30.0 t70 -68.23 49.33 0.06 Allowed 'General case' 0 CA--C 1.59 2.499 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -179.14 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.7 mpp_? -50.54 -41.02 53.43 Favored 'General case' 0 CA--C 1.572 1.814 0 O-C-N 119.451 -2.031 . . . . 0.0 115.437 179.319 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 22.6 p30 -65.23 -38.83 91.61 Favored 'General case' 0 CA--C 1.584 2.262 0 C-N-CA 124.322 1.049 . . . . 0.0 113.203 174.537 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 101.18 41.02 2.69 Favored Glycine 0 CA--C 1.548 2.155 0 N-CA-C 121.853 3.501 . . . . 0.0 121.853 176.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 18.4 m-20 -119.26 6.17 11.21 Favored 'General case' 0 CA--C 1.586 2.347 0 CA-C-N 119.124 1.462 . . . . 0.0 113.935 177.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 79.08 22.13 66.35 Favored Glycine 0 CA--C 1.571 3.591 0 O-C-N 119.205 -2.184 . . . . 0.0 113.342 -172.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 3.9 pt-20 -160.02 151.19 19.39 Favored 'General case' 0 CA--C 1.574 1.888 0 C-N-CA 126.016 1.726 . . . . 0.0 109.073 -176.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 13.0 t -99.73 130.45 48.79 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.578 0 O-C-N 120.12 -1.613 . . . . 0.0 110.559 -173.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 54.0 p -99.77 171.35 7.94 Favored 'General case' 0 CA--C 1.57 1.74 0 CA-C-O 122.813 1.292 . . . . 0.0 112.193 -179.357 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.314 20.6 pt-20 -58.93 -37.74 77.38 Favored 'General case' 0 N--CA 1.498 1.933 0 O-C-N 120.426 -1.421 . . . . 0.0 114.657 -178.395 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.443 ' HA ' HD22 ' A' ' 163' ' ' LEU . 2.5 pt20 -60.41 -36.58 78.47 Favored 'General case' 0 CA--C 1.584 2.271 0 CA-C-N 122.966 2.621 . . . . 0.0 112.531 173.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.57 -32.31 71.0 Favored 'General case' 0 N--CA 1.513 2.717 0 CA-C-N 122.116 2.235 . . . . 0.0 109.655 175.282 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.522 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.4 OUTLIER -62.14 -37.5 85.41 Favored 'General case' 0 N--CA 1.505 2.289 0 C-N-CA 124.912 1.285 . . . . 0.0 112.941 172.212 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -79.94 -52.04 8.35 Favored 'General case' 0 CA--C 1.579 2.09 0 C-N-CA 126.267 1.827 . . . . 0.0 112.345 177.165 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -46.94 -19.94 0.12 Allowed 'General case' 0 N--CA 1.495 1.819 0 N-CA-C 118.487 2.773 . . . . 0.0 118.487 -179.797 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 CA--C 1.573 1.844 0 N-CA-C 115.51 1.67 . . . . 0.0 115.51 176.562 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.505 2.296 0 N-CA-C 115.745 1.757 . . . . 0.0 115.745 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -49.38 -43.14 34.69 Favored Glycine 0 N--CA 1.499 2.841 0 N-CA-C 116.815 1.486 . . . . 0.0 116.815 176.084 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -62.87 -51.35 67.35 Favored 'General case' 0 CA--C 1.576 1.952 0 CA-C-O 118.379 -0.82 . . . . 0.0 110.948 176.05 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.8 t80 -55.31 -38.94 69.33 Favored 'General case' 0 CA--C 1.59 2.499 0 C-N-CA 124.205 1.002 . . . . 0.0 111.664 175.198 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.1 mt -63.84 -53.26 53.46 Favored 'General case' 0 CA--C 1.563 1.46 0 O-C-N 120.522 -1.361 . . . . 0.0 109.992 174.71 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.494 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 4.2 m -56.15 -39.42 72.26 Favored 'General case' 0 N--CA 1.499 2.003 0 N-CA-C 113.575 0.954 . . . . 0.0 113.575 176.585 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -60.04 -42.15 88.76 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.951 0 C-N-CA 124.782 1.233 . . . . 0.0 112.003 174.707 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.747 ' HB2' HD21 ' A' ' 133' ' ' LEU . 56.7 ttp -65.74 -57.18 8.62 Favored 'General case' 0 CA--C 1.583 2.22 0 CA-C-O 123.742 1.734 . . . . 0.0 112.968 174.233 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.494 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 73.4 p -58.83 -38.45 78.68 Favored 'General case' 0 N--CA 1.499 2.019 0 CA-C-N 111.82 -2.446 . . . . 0.0 115.422 -179.032 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -63.68 -2.77 1.86 Allowed 'General case' 0 CA--C 1.582 2.205 0 N-CA-C 116.467 2.025 . . . . 0.0 116.467 176.405 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 65.1 mmtt -98.03 73.85 2.26 Favored 'General case' 0 CA--C 1.567 1.603 0 O-C-N 120.481 -1.387 . . . . 0.0 109.786 179.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 2.0 mpt? 66.3 58.93 0.67 Allowed 'General case' 0 N--CA 1.501 2.118 0 C-N-CA 125.162 1.385 . . . . 0.0 114.41 -179.316 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 19.1 t -161.1 -55.49 0.05 Allowed 'General case' 0 N--CA 1.499 2.006 0 C-N-CA 124.546 1.138 . . . . 0.0 109.631 178.713 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 57.94 57.95 3.86 Favored 'General case' 0 N--CA 1.496 1.845 0 N-CA-C 116.695 2.109 . . . . 0.0 116.695 175.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 34.2 mtmm -143.45 177.9 8.13 Favored 'General case' 0 CA--C 1.576 1.962 0 C-N-CA 124.777 1.231 . . . . 0.0 111.651 -179.446 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 85.79 100.3 0.04 OUTLIER 'General case' 0 N--CA 1.499 1.998 0 C-N-CA 126.615 1.966 . . . . 0.0 113.967 177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 23.2 m -158.91 94.72 1.24 Allowed 'General case' 0 N--CA 1.492 1.67 0 N-CA-C 104.963 -2.236 . . . . 0.0 104.963 178.526 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 62.98 155.58 0.05 Allowed 'General case' 0 N--CA 1.513 2.675 0 C-N-CA 126.976 2.11 . . . . 0.0 114.172 -176.609 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 10.4 mt-10 64.51 -46.2 0.31 Allowed 'General case' 0 N--CA 1.533 3.677 0 CA-C-N 123.413 2.824 . . . . 0.0 113.341 -173.62 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 15.3 mm-40 -70.71 -20.2 62.68 Favored 'General case' 0 CA--C 1.559 1.303 0 C-N-CA 125.887 1.675 . . . . 0.0 113.654 177.19 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -51.28 -36.95 17.55 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.202 0 CA-C-N 120.15 1.341 . . . . 0.0 111.699 172.786 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.471 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 3.2 mp -68.25 -45.77 72.28 Favored 'General case' 0 CA--C 1.562 1.422 0 N-CA-C 113.029 0.751 . . . . 0.0 113.029 178.309 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -67.77 -41.82 82.69 Favored 'General case' 0 N--CA 1.497 1.916 0 CA-C-O 117.692 -1.146 . . . . 0.0 110.918 175.779 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -62.3 -46.25 89.58 Favored 'General case' 0 CA--C 1.562 1.407 0 CA-C-N 121.091 1.769 . . . . 0.0 113.832 177.667 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.428 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 0.5 OUTLIER -65.03 -49.02 71.79 Favored 'General case' 0 N--CA 1.494 1.756 0 CA-C-N 121.109 1.777 . . . . 0.0 110.398 175.73 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 34.6 tptt -62.06 -36.6 82.12 Favored 'General case' 0 CA--C 1.579 2.079 0 CA-C-O 117.799 -1.096 . . . . 0.0 112.697 -179.718 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.6 mt -76.74 -19.96 57.06 Favored 'General case' 0 CA--C 1.579 2.096 0 CA-C-N 121.109 1.777 . . . . 0.0 111.812 173.534 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.3 OUTLIER -63.46 -40.17 96.41 Favored 'General case' 0 CA--C 1.581 2.153 0 CA-C-N 121.745 2.066 . . . . 0.0 110.115 170.499 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.2 m-20 -73.92 72.95 1.62 Allowed 'General case' 0 CA--C 1.586 2.351 0 N-CA-C 114.242 1.201 . . . . 0.0 114.242 178.666 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -54.3 -11.72 0.55 Allowed 'General case' 0 CA--C 1.616 3.517 0 O-C-N 118.609 -2.557 . . . . 0.0 113.916 172.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 18.2 t70 -98.2 -9.55 25.49 Favored 'General case' 0 CA--C 1.585 2.312 0 C-N-CA 125.647 1.579 . . . . 0.0 111.963 176.707 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 19.9 tp10 74.98 -11.92 1.01 Allowed 'General case' 0 N--CA 1.507 2.388 0 CA-C-N 122.538 2.426 . . . . 0.0 114.794 -179.383 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.0 t -57.58 -24.05 54.07 Favored 'General case' 0 CA--C 1.568 1.653 0 C-N-CA 125.866 1.667 . . . . 0.0 114.897 179.159 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.2 53.49 13.9 Favored Glycine 0 C--N 1.354 1.559 0 N-CA-C 119.196 2.438 . . . . 0.0 119.196 176.951 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -157.8 109.94 2.35 Favored 'General case' 0 CA--C 1.56 1.361 0 C-N-CA 123.678 0.791 . . . . 0.0 109.362 179.894 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.7 mp -100.0 122.13 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.027 0 N-CA-C 107.877 -1.157 . . . . 0.0 107.877 177.553 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 7.7 t -104.51 176.85 5.02 Favored 'General case' 0 CA--C 1.583 2.222 0 CA-C-O 124.402 2.049 . . . . 0.0 106.113 173.696 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -48.25 -48.9 35.04 Favored 'General case' 0 N--CA 1.507 2.407 0 N-CA-C 117.637 2.458 . . . . 0.0 117.637 179.849 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 33.9 mmtp -58.2 -40.0 80.46 Favored 'General case' 0 CA--C 1.582 2.186 0 N-CA-C 114.243 1.201 . . . . 0.0 114.243 -178.529 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -70.7 -30.11 66.59 Favored 'General case' 0 N--CA 1.512 2.644 0 CA-C-N 120.549 1.522 . . . . 0.0 109.294 174.085 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.3 mt -54.94 -45.96 74.92 Favored 'General case' 0 N--CA 1.508 2.452 0 CA-C-N 121.692 2.042 . . . . 0.0 109.468 170.84 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 67.7 mttm -56.02 -48.76 75.36 Favored 'General case' 0 N--CA 1.499 1.997 0 C-N-CA 125.48 1.512 . . . . 0.0 111.286 173.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 34.5 mmt180 -54.05 -48.85 70.12 Favored 'General case' 0 N--CA 1.502 2.133 0 CA-C-N 118.698 0.681 . . . . 0.0 112.723 175.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 92.8 t -68.52 -44.62 82.87 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.549 0 CA-C-O 118.612 -0.709 . . . . 0.0 111.032 178.131 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -50.12 -38.81 40.79 Favored 'General case' 0 CA--C 1.58 2.118 0 CA-C-N 120.647 1.567 . . . . 0.0 113.269 175.508 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 14.4 mmmm -71.8 -43.96 64.77 Favored 'General case' 0 CA--C 1.583 2.217 0 CA-C-O 118.298 -0.858 . . . . 0.0 110.909 172.654 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 2.8 tm-20 -54.36 -56.62 16.72 Favored 'General case' 0 N--CA 1.506 2.359 0 C-N-CA 125.15 1.38 . . . . 0.0 113.503 175.834 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.747 HD21 ' HB2' ' A' ' 93' ' ' MET 0.317 9.0 mp -51.63 -37.1 48.65 Favored 'General case' 0 CA--C 1.556 1.173 0 N-CA-C 117.762 2.504 . . . . 0.0 117.762 174.194 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 98.26 -39.89 2.64 Favored Glycine 0 CA--C 1.547 2.071 0 CA-C-N 112.91 -1.95 . . . . 0.0 113.647 -177.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.8 tt0 -86.85 84.56 7.33 Favored 'General case' 0 N--CA 1.49 1.562 0 N-CA-C 106.858 -1.534 . . . . 0.0 106.858 178.117 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 5.1 t30 -81.64 115.52 20.94 Favored 'General case' 0 CA--C 1.558 1.279 0 N-CA-C 115.556 1.687 . . . . 0.0 115.556 -176.309 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 mp -70.69 145.02 50.82 Favored 'General case' 0 N--CA 1.494 1.758 0 N-CA-C 109.231 -0.655 . . . . 0.0 109.231 175.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 14.1 t -75.89 163.59 27.06 Favored 'General case' 0 N--CA 1.495 1.811 0 O-C-N 120.784 -1.198 . . . . 0.0 112.777 -177.014 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -43.21 -46.66 6.16 Favored 'General case' 0 CA--C 1.572 1.821 0 N-CA-C 118.087 2.625 . . . . 0.0 118.087 -178.311 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.6 mm-40 -63.94 -49.08 74.0 Favored 'General case' 0 CA--C 1.574 1.883 0 CA-C-N 113.116 -1.856 . . . . 0.0 111.496 177.016 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 49.0 mt-10 -54.7 -51.41 65.65 Favored 'General case' 0 N--CA 1.505 2.281 0 C-N-CA 123.826 0.85 . . . . 0.0 112.879 176.225 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 31.7 mt -58.72 -45.84 88.68 Favored 'General case' 0 CA--C 1.563 1.457 0 C-N-CA 124.79 1.236 . . . . 0.0 113.204 177.242 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -67.85 -34.67 77.16 Favored 'General case' 0 CA--C 1.572 1.82 0 CA-C-N 120.255 1.389 . . . . 0.0 112.523 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 51.4 mt-10 -60.44 -44.76 95.48 Favored 'General case' 0 N--CA 1.504 2.244 0 CA-C-N 121.004 1.729 . . . . 0.0 109.753 173.18 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.5 OUTLIER -55.83 -43.19 76.75 Favored 'General case' 0 CA--C 1.579 2.095 0 C-N-CA 124.947 1.299 . . . . 0.0 111.583 174.31 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.419 ' O ' ' HB3' ' A' ' 150' ' ' ASP . 9.7 mm -58.91 -60.01 2.97 Favored 'Isoleucine or valine' 0 CA--C 1.553 1.072 0 CA-C-O 115.877 -2.011 . . . . 0.0 109.884 175.277 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -53.4 -36.81 61.88 Favored 'General case' 0 N--CA 1.509 2.5 0 CA-C-N 121.603 2.001 . . . . 0.0 114.158 -179.104 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -57.52 -52.15 66.55 Favored 'General case' 0 N--CA 1.516 2.848 0 CA-C-O 121.92 0.866 . . . . 0.0 109.919 172.601 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.405 ' HB1' HG22 ' A' ' 157' ' ' VAL . . . -60.01 -48.52 81.37 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-N 114.664 -1.153 . . . . 0.0 112.565 173.231 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.419 ' HB3' ' O ' ' A' ' 146' ' ' ILE 0.261 0.0 OUTLIER -78.9 40.5 0.4 Allowed 'General case' 0 CA--C 1.585 2.304 0 C-N-CA 127.565 2.346 . . . . 0.0 114.505 179.439 . . . . . . . . 4 4 . 1 . 016 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 1.3 tpp180 -59.7 -33.24 71.35 Favored 'General case' 0 N--CA 1.5 2.064 0 O-C-N 117.518 -3.239 . . . . 0.0 116.664 -178.561 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 40.3 m-20 -69.28 -27.07 65.09 Favored 'General case' 0 CA--C 1.59 2.485 0 C-N-CA 123.693 0.797 . . . . 0.0 112.799 175.06 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 102.24 63.53 0.73 Allowed Glycine 0 N--CA 1.492 2.414 0 N-CA-C 121.67 3.428 . . . . 0.0 121.67 176.306 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -132.97 -4.34 3.14 Favored 'General case' 0 CA--C 1.592 2.568 0 N-CA-C 114.817 1.414 . . . . 0.0 114.817 176.459 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 73.14 16.0 78.61 Favored Glycine 0 N--CA 1.51 3.622 0 CA-C-N 123.287 2.767 . . . . 0.0 117.781 -177.544 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.11 163.45 33.8 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 126.164 1.786 . . . . 0.0 109.964 -177.926 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.405 HG22 ' HB1' ' A' ' 149' ' ' ALA . 2.3 t -99.88 110.11 26.28 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.619 0 N-CA-C 105.343 -2.095 . . . . 0.0 105.343 178.67 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER -100.33 171.86 7.51 Favored 'General case' 0 CA--C 1.565 1.541 0 CA-C-O 123.235 1.493 . . . . 0.0 110.677 179.518 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -49.1 -47.52 45.21 Favored 'General case' 0 N--CA 1.493 1.689 0 CA-C-O 115.251 -2.309 . . . . 0.0 115.741 179.802 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.466 ' HA ' ' CD2' ' A' ' 163' ' ' LEU 0.263 3.2 pp0? -63.25 -35.36 80.08 Favored 'General case' 0 CA--C 1.582 2.195 0 CA-C-N 123.745 2.975 . . . . 0.0 113.791 178.081 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -72.92 -30.3 63.78 Favored 'General case' 0 N--CA 1.517 2.906 0 CA-C-N 123.067 2.667 . . . . 0.0 111.781 174.736 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.471 ' CE1' ' HA ' ' A' ' 107' ' ' LEU . 7.6 t80 -60.92 -55.95 26.89 Favored 'General case' 0 N--CA 1.489 1.512 0 C-N-CA 125.664 1.585 . . . . 0.0 112.435 175.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.466 ' CD2' ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -80.01 -41.66 25.38 Favored 'General case' 0 CA--C 1.575 1.93 0 CA-C-O 117.472 -1.251 . . . . 0.0 114.045 178.191 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 21.1 ptt85 -66.22 -19.9 65.96 Favored 'General case' 0 N--CA 1.503 2.206 0 CA-C-N 122.478 2.399 . . . . 0.0 117.36 179.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.269 4.6 tp . . . . . 0 N--CA 1.508 2.434 0 C-N-CA 130.516 3.526 . . . . 0.0 117.628 179.297 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 61.3 m-85 . . . . . 0 N--CA 1.498 1.974 0 N-CA-C 116.126 1.898 . . . . 0.0 116.126 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.36 -43.63 99.11 Favored Glycine 0 N--CA 1.503 3.125 0 CA-C-N 121.052 1.751 . . . . 0.0 114.887 175.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -67.22 -47.52 70.58 Favored 'General case' 0 N--CA 1.495 1.781 0 C-N-CA 124.321 1.048 . . . . 0.0 111.604 176.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.17 -41.2 78.78 Favored 'General case' 0 CA--C 1.585 2.301 0 C-N-CA 124.162 0.985 . . . . 0.0 110.629 175.766 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.484 HD13 ' OG1' ' A' ' 94' ' ' THR . 2.1 tm? -57.83 -57.81 11.12 Favored 'General case' 0 N--CA 1.493 1.724 0 C-N-CA 125.661 1.584 . . . . 0.0 112.052 175.12 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.1 t -54.89 -37.32 66.15 Favored 'General case' 0 N--CA 1.507 2.407 0 N-CA-C 112.512 0.56 . . . . 0.0 112.512 178.495 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.53 HG12 HD23 ' A' ' 133' ' ' LEU . 85.3 t -61.73 -44.76 99.24 Favored 'Isoleucine or valine' 0 CA--C 1.581 2.154 0 O-C-N 120.758 -1.214 . . . . 0.0 110.95 174.056 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.536 ' HG2' HD11 ' A' ' 133' ' ' LEU . 3.9 mtt -64.64 -60.04 3.57 Favored 'General case' 0 CA--C 1.587 2.38 0 CA-C-O 122.9 1.333 . . . . 0.0 113.261 176.33 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.484 ' OG1' HD13 ' A' ' 90' ' ' LEU . 34.5 p -80.27 -51.76 8.53 Favored 'General case' 0 N--CA 1.499 2.012 0 N-CA-C 120.002 3.334 . . . . 0.0 120.002 -175.045 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -49.74 -29.47 7.7 Favored 'General case' 0 N--CA 1.508 2.453 0 N-CA-C 117.301 2.334 . . . . 0.0 117.301 -177.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 7.6 ptpp? -55.07 -28.17 50.33 Favored 'General case' 0 CA--C 1.583 2.23 0 N-CA-C 114.983 1.475 . . . . 0.0 114.983 174.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 18.6 ptm -105.19 -62.81 1.3 Allowed 'General case' 0 CA--C 1.573 1.835 0 C-N-CA 124.552 1.141 . . . . 0.0 110.491 176.679 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 14.0 t -161.43 -144.19 0.1 Allowed 'General case' 0 CA--C 1.583 2.216 0 CA-C-N 120.932 1.697 . . . . 0.0 110.67 179.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 21.1 tt0 70.72 143.29 0.05 Allowed 'General case' 0 N--CA 1.5 2.07 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 177.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -166.92 123.52 1.2 Allowed 'General case' 0 CA--C 1.57 1.712 0 N-CA-C 107.141 -1.429 . . . . 0.0 107.141 178.72 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -127.34 -64.01 1.01 Allowed 'General case' 0 N--CA 1.501 2.097 0 N-CA-C 115.289 1.588 . . . . 0.0 115.289 -177.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 65.2 p 91.77 97.18 0.02 OUTLIER 'General case' 0 N--CA 1.503 2.204 0 C-N-CA 126.609 1.964 . . . . 0.0 106.191 -177.121 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 22.8 ttmt 75.06 -58.05 0.58 Allowed 'General case' 0 N--CA 1.501 2.092 0 C-N-CA 125.971 1.709 . . . . 0.0 115.03 -177.712 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -46.26 -32.68 3.22 Favored 'General case' 0 CA--C 1.591 2.533 0 N-CA-C 117.471 2.397 . . . . 0.0 117.471 177.02 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -62.68 -26.24 68.56 Favored 'General case' 0 CA--C 1.56 1.347 0 CA-C-O 115.974 -1.965 . . . . 0.0 114.291 175.774 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.37 -41.04 42.73 Favored 'Isoleucine or valine' 0 N--CA 1.514 2.731 0 CA-C-N 122.985 2.63 . . . . 0.0 111.087 173.565 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.518 ' HA ' ' CE1' ' A' ' 162' ' ' PHE . 3.6 mp -68.94 -44.04 73.86 Favored 'General case' 0 CA--C 1.561 1.404 0 N-CA-C 112.718 0.636 . . . . 0.0 112.718 178.208 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 55.0 mtmt -64.64 -42.85 95.17 Favored 'General case' 0 CA--C 1.564 1.509 0 CA-C-N 119.416 1.007 . . . . 0.0 111.356 174.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.439 ' HB2' ' HB2' ' A' ' 90' ' ' LEU . . . -57.9 -51.46 69.51 Favored 'General case' 0 N--CA 1.479 1.006 0 N-CA-C 114.774 1.398 . . . . 0.0 114.774 177.862 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.489 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 1.3 t80 -67.13 -43.22 82.91 Favored 'General case' 0 CA--C 1.558 1.279 0 CA-C-O 118.63 -0.7 . . . . 0.0 111.76 177.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.1 tptp -69.03 -31.12 69.68 Favored 'General case' 0 CA--C 1.574 1.867 0 CA-C-O 117.333 -1.318 . . . . 0.0 113.384 179.056 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 pp -74.8 -28.53 60.76 Favored 'General case' 0 CA--C 1.574 1.883 0 CA-C-N 122.437 2.381 . . . . 0.0 111.164 171.812 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -57.76 -37.55 73.86 Favored 'General case' 0 CA--C 1.56 1.35 0 N-CA-C 114.571 1.323 . . . . 0.0 114.571 174.027 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 1.9 p-10 -84.17 51.18 2.01 Favored 'General case' 0 CA--C 1.6 2.897 0 N-CA-C 113.621 0.971 . . . . 0.0 113.621 178.962 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 6.6 p-10 -43.69 -29.24 0.49 Allowed 'General case' 0 N--CA 1.512 2.642 0 N-CA-C 118.411 2.745 . . . . 0.0 118.411 178.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 16.2 p-10 -86.73 -56.66 3.3 Favored 'General case' 0 CA--C 1.556 1.185 0 CA-C-O 116.486 -1.721 . . . . 0.0 112.428 179.408 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 2.5 mt-10 165.56 -22.54 0.0 OUTLIER 'General case' 0 N--CA 1.51 2.542 0 CA-C-N 121.162 1.801 . . . . 0.0 115.117 -174.95 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 2.7 t -84.3 69.81 10.52 Favored 'General case' 0 CA--C 1.551 0.982 0 C-N-CA 126.148 1.779 . . . . 0.0 112.364 -177.359 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . -65.75 52.66 0.15 Allowed Glycine 0 N--CA 1.492 2.428 0 N-CA-C 119.845 2.698 . . . . 0.0 119.845 177.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 4.2 mmpt? -145.49 122.43 11.33 Favored 'General case' 0 CA--C 1.583 2.238 1 N-CA-C 99.175 -4.38 . . . . 0.0 99.175 178.093 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.4 mp -99.72 120.34 48.98 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.382 0 CA-C-N 123.836 3.016 . . . . 0.0 109.065 -176.14 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 8.0 t -100.16 169.88 8.85 Favored 'General case' 0 CA--C 1.589 2.467 0 CA-C-N 111.591 -2.55 . . . . 0.0 105.651 173.855 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 65.8 t80 -52.08 -37.91 55.5 Favored 'General case' 0 N--CA 1.511 2.581 0 N-CA-C 117.05 2.241 . . . . 0.0 117.05 179.997 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 56.5 tttp -60.95 -39.4 89.34 Favored 'General case' 0 N--CA 1.498 1.972 0 O-C-N 120.918 -1.114 . . . . 0.0 113.202 178.022 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -67.03 -37.07 83.46 Favored 'General case' 0 CA--C 1.585 2.309 0 O-C-N 121.596 -0.69 . . . . 0.0 109.729 175.13 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 93.6 mt -53.72 -44.5 69.93 Favored 'General case' 0 N--CA 1.51 2.531 0 CA-C-N 119.884 1.22 . . . . 0.0 110.603 172.762 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 69.2 mttt -60.93 -44.75 96.77 Favored 'General case' 0 CA--C 1.572 1.808 0 CA-C-O 118.202 -0.904 . . . . 0.0 111.915 174.283 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -50.9 -53.92 28.52 Favored 'General case' 0 N--CA 1.508 2.428 0 CA-C-N 119.682 1.128 . . . . 0.0 112.451 175.62 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 3.5 t -72.59 -32.42 41.31 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.256 0 N-CA-C 113.98 1.104 . . . . 0.0 113.98 -179.062 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.66 -50.55 73.43 Favored 'General case' 0 CA--C 1.57 1.744 0 C-N-CA 124.013 0.925 . . . . 0.0 110.939 175.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt -68.37 -33.93 75.14 Favored 'General case' 0 CA--C 1.575 1.941 0 CA-C-N 119.844 1.202 . . . . 0.0 113.53 174.369 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.9 tm-20 -56.43 -46.47 80.24 Favored 'General case' 0 N--CA 1.5 2.07 0 CA-C-N 120.395 1.452 . . . . 0.0 114.891 176.833 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.536 HD11 ' HG2' ' A' ' 93' ' ' MET 0.372 5.2 mp -71.05 -54.39 11.33 Favored 'General case' 0 CA--C 1.55 0.956 0 C-N-CA 127.172 2.189 . . . . 0.0 114.104 177.339 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 100.65 -47.85 1.21 Allowed Glycine 0 N--CA 1.485 1.916 0 CA-C-O 118.913 -0.937 . . . . 0.0 112.209 -178.744 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -91.56 83.82 5.42 Favored 'General case' 0 N--CA 1.495 1.807 0 N-CA-C 106.489 -1.671 . . . . 0.0 106.489 178.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . 0.282 7.8 p30 -116.35 -134.61 0.34 Allowed 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 114.593 1.331 . . . . 0.0 114.593 -175.554 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -134.84 -125.41 0.16 Allowed 'General case' 0 CA--C 1.569 1.701 0 N-CA-C 106.973 -1.492 . . . . 0.0 106.973 -177.585 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 7.0 t -154.14 163.34 40.27 Favored 'General case' 0 N--CA 1.494 1.758 0 O-C-N 120.385 -1.447 . . . . 0.0 108.585 178.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 7.0 p-10 -39.95 -53.69 2.3 Favored 'General case' 0 CA--C 1.572 1.824 0 N-CA-C 116.698 2.111 . . . . 0.0 116.698 176.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -63.49 -45.06 92.45 Favored 'General case' 0 CA--C 1.575 1.939 0 C-N-CA 125.45 1.5 . . . . 0.0 112.717 178.544 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 13.2 tp10 -63.96 -46.73 83.33 Favored 'General case' 0 CA--C 1.583 2.241 0 C-N-CA 124.429 1.092 . . . . 0.0 111.046 176.129 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 29.9 mt -56.57 -37.41 70.55 Favored 'General case' 0 CA--C 1.579 2.072 0 CA-C-N 121.248 1.84 . . . . 0.0 110.891 172.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -70.12 -36.23 74.67 Favored 'General case' 0 CA--C 1.569 1.695 0 CA-C-O 117.649 -1.167 . . . . 0.0 111.154 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 25.2 tt0 -62.06 -38.85 90.33 Favored 'General case' 0 CA--C 1.586 2.356 0 CA-C-N 120.674 1.579 . . . . 0.0 109.941 173.236 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 56.9 mtt -61.07 -39.67 90.76 Favored 'General case' 0 CA--C 1.584 2.264 0 O-C-N 121.323 -0.861 . . . . 0.0 111.227 173.004 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 5.9 mm -62.16 -56.95 14.36 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.441 0 O-C-N 120.621 -1.299 . . . . 0.0 110.302 173.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -52.75 -39.62 62.34 Favored 'General case' 0 N--CA 1.501 2.084 0 N-CA-C 114.294 1.22 . . . . 0.0 114.294 -179.243 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.1 pp20? -71.58 -39.98 70.23 Favored 'General case' 0 CA--C 1.592 2.587 0 CA-C-N 119.557 1.071 . . . . 0.0 113.397 173.607 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.483 ' HB1' HG22 ' A' ' 157' ' ' VAL . . . -79.12 -29.99 43.5 Favored 'General case' 0 CA--C 1.577 2.005 0 N-CA-C 120.45 3.5 . . . . 0.0 120.45 179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -65.23 61.86 0.03 OUTLIER 'General case' 0 CA--C 1.588 2.422 0 N-CA-C 118.965 2.95 . . . . 0.0 118.965 -176.278 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 2.5 tmm_? -52.75 -38.11 60.42 Favored 'General case' 0 N--CA 1.506 2.338 0 O-C-N 118.736 -2.477 . . . . 0.0 114.33 175.706 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -62.44 -32.31 73.15 Favored 'General case' 0 CA--C 1.579 2.093 0 CA-C-O 118.083 -0.96 . . . . 0.0 113.208 176.09 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 93.9 112.78 2.33 Favored Glycine 0 CA--C 1.553 2.421 0 N-CA-C 117.515 1.766 . . . . 0.0 117.515 177.342 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . 0.265 15.3 t70 123.07 -57.13 0.0 OUTLIER 'General case' 0 N--CA 1.507 2.38 0 C-N-CA 127.573 2.349 . . . . 0.0 108.567 178.502 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 175.34 48.89 0.06 OUTLIER Glycine 0 N--CA 1.482 1.705 0 N-CA-C 120.139 2.816 . . . . 0.0 120.139 177.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -160.0 145.46 15.3 Favored 'General case' 0 N--CA 1.498 1.939 0 CA-C-N 121.31 2.555 . . . . 0.0 114.107 178.055 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.483 HG22 ' HB1' ' A' ' 149' ' ' ALA . 20.2 t -99.87 123.55 52.74 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.984 0 N-CA-C 105.733 -1.951 . . . . 0.0 105.733 179.371 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 1.6 m -100.83 176.41 5.3 Favored 'General case' 0 CA--C 1.573 1.836 0 CA-C-O 124.718 2.199 . . . . 0.0 113.589 -177.742 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.275 81.3 tt0 -52.81 -50.08 64.39 Favored 'General case' 0 N--CA 1.509 2.494 0 CA-C-N 112.541 -2.118 . . . . 0.0 115.322 -178.771 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.443 ' HA ' HD22 ' A' ' 163' ' ' LEU . 3.4 mp0 -65.5 -31.46 72.55 Favored 'General case' 0 CA--C 1.585 2.298 0 CA-C-N 122.521 2.418 . . . . 0.0 110.965 175.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -67.33 -28.94 68.39 Favored 'General case' 0 N--CA 1.519 2.98 0 CA-C-N 122.893 2.588 . . . . 0.0 112.868 176.662 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.518 ' CE1' ' HA ' ' A' ' 107' ' ' LEU 0.276 5.3 t80 -68.96 -40.81 78.69 Favored 'General case' 0 CA--C 1.583 2.228 0 C-N-CA 127.652 2.381 . . . . 0.0 111.768 171.855 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.443 HD22 ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -77.38 -32.75 55.14 Favored 'General case' 0 CA--C 1.571 1.787 0 C-N-CA 126.968 2.107 . . . . 0.0 113.632 177.284 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 26.2 mtt-85 -46.91 -19.95 0.12 Allowed 'General case' 0 N--CA 1.502 2.164 0 N-CA-C 116.605 2.076 . . . . 0.0 116.605 178.182 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 8.1 tp . . . . . 0 CA--C 1.592 2.558 0 N-CA-C 116.082 1.882 . . . . 0.0 116.082 175.674 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 7.8 m-85 . . . . . 0 CA--C 1.582 2.178 0 CA-C-O 116.773 -1.584 . . . . 0.0 114.433 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -66.05 -42.82 94.39 Favored Glycine 0 N--CA 1.498 2.795 0 CA-C-N 123.447 2.84 . . . . 0.0 114.183 176.647 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 3.5 m-20 -64.33 -41.96 96.52 Favored 'General case' 0 CA--C 1.572 1.817 0 C-N-CA 124.247 1.019 . . . . 0.0 110.909 176.088 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 2.4 t80 -58.23 -49.62 76.45 Favored 'General case' 0 N--CA 1.506 2.346 0 CA-C-N 120.459 1.481 . . . . 0.0 108.296 173.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 8.5 tt -50.4 -56.39 11.63 Favored 'General case' 0 N--CA 1.497 1.898 0 C-N-CA 124.467 1.107 . . . . 0.0 113.829 176.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 10.4 m -57.37 -39.37 75.88 Favored 'General case' 0 N--CA 1.502 2.152 0 N-CA-C 113.492 0.923 . . . . 0.0 113.492 176.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.05 -43.79 92.28 Favored 'Isoleucine or valine' 0 CA--C 1.573 1.831 0 C-N-CA 125.235 1.414 . . . . 0.0 111.445 175.472 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.581 ' SD ' HD21 ' A' ' 137' ' ' LEU . 27.0 mmt -59.06 -50.9 72.31 Favored 'General case' 0 N--CA 1.499 1.983 0 C-N-CA 123.836 0.855 . . . . 0.0 110.896 175.602 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 29.8 p -68.69 -26.7 65.42 Favored 'General case' 0 N--CA 1.499 1.998 0 N-CA-C 113.307 0.855 . . . . 0.0 113.307 176.697 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 38.0 tp60 61.77 47.93 5.85 Favored 'General case' 0 CA--C 1.574 1.885 0 C-N-CA 126.817 2.047 . . . . 0.0 112.299 -177.124 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 31.0 mmtm -129.56 162.56 27.93 Favored 'General case' 0 N--CA 1.496 1.825 0 CA-C-O 121.883 0.849 . . . . 0.0 111.55 -179.084 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.6 ttt -76.04 100.57 4.97 Favored 'General case' 0 N--CA 1.495 1.776 0 O-C-N 120.167 -1.583 . . . . 0.0 112.203 -179.607 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 12.9 t 70.6 -69.61 0.17 Allowed 'General case' 0 N--CA 1.503 2.209 0 C-N-CA 125.28 1.432 . . . . 0.0 112.838 -178.736 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.4 tt0 63.96 -60.03 0.19 Allowed 'General case' 0 CA--C 1.57 1.749 0 N-CA-C 119.014 2.968 . . . . 0.0 119.014 177.901 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 47.4 mttp -139.61 138.37 36.11 Favored 'General case' 0 N--CA 1.495 1.792 0 CA-C-N 120.868 1.667 . . . . 0.0 115.248 -177.38 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 52.97 152.57 0.0 OUTLIER 'General case' 0 CA--C 1.583 2.22 1 N-CA-C 121.916 4.043 . . . . 0.0 121.916 175.213 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 40.0 p -145.89 104.22 3.83 Favored 'General case' 0 N--CA 1.497 1.892 1 N-CA-C 99.21 -4.367 . . . . 0.0 99.21 176.571 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.26 0.0 OUTLIER 73.63 172.65 0.29 Allowed 'General case' 0 N--CA 1.513 2.678 0 C-N-CA 124.544 1.138 . . . . 0.0 108.772 -172.038 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.3 tt0 72.87 -55.62 0.68 Allowed 'General case' 0 N--CA 1.531 3.589 0 CA-C-N 123.979 3.082 . . . . 0.0 110.503 -174.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER -47.94 -36.5 12.57 Favored 'General case' 0 N--CA 1.485 1.277 0 C-N-CA 128.021 2.528 . . . . 0.0 114.583 176.151 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 58.2 mt -63.9 -53.6 42.26 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.903 0 CA-C-N 121.926 2.148 . . . . 0.0 109.089 175.877 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . 0.263 0.2 OUTLIER -69.64 -40.53 76.46 Favored 'General case' 0 N--CA 1.494 1.755 0 N-CA-C 114.584 1.327 . . . . 0.0 114.584 179.653 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 36.9 ttmt -69.03 -45.87 69.39 Favored 'General case' 0 CA--C 1.556 1.208 0 CA-C-O 116.973 -1.489 . . . . 0.0 112.619 175.808 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.24 -46.0 68.4 Favored 'General case' 0 C--N 1.365 1.256 0 CA-C-N 121.867 2.121 . . . . 0.0 111.519 178.39 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.463 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 13.7 t80 -64.02 -43.9 94.18 Favored 'General case' 0 N--CA 1.491 1.6 0 CA-C-N 122.543 2.429 . . . . 0.0 112.966 177.986 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.5 mmtt -66.52 -36.68 83.29 Favored 'General case' 0 CA--C 1.586 2.361 0 CA-C-N 120.743 1.611 . . . . 0.0 111.414 -179.506 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.9 mt -78.8 -19.92 50.99 Favored 'General case' 0 CA--C 1.586 2.343 0 CA-C-N 122.536 2.425 . . . . 0.0 113.268 174.642 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.78 -40.29 88.11 Favored 'General case' 0 CA--C 1.568 1.665 0 C-N-CA 126.026 1.73 . . . . 0.0 110.128 171.876 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -79.21 80.39 5.57 Favored 'General case' 0 CA--C 1.594 2.65 0 N-CA-C 109.814 -0.439 . . . . 0.0 109.814 178.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -45.34 -19.51 0.04 OUTLIER 'General case' 0 N--CA 1.513 2.68 0 N-CA-C 117.632 2.456 . . . . 0.0 117.632 175.118 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -92.77 -1.79 56.51 Favored 'General case' 0 CA--C 1.591 2.523 0 CA-C-N 120.8 1.637 . . . . 0.0 112.441 176.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 70.5 -5.1 1.46 Allowed 'General case' 0 N--CA 1.502 2.168 0 N-CA-C 117.796 2.517 . . . . 0.0 117.796 179.232 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 11.9 p -65.66 -51.29 60.68 Favored 'General case' 0 N--CA 1.488 1.467 0 C-N-CA 125.825 1.65 . . . . 0.0 110.366 177.127 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 101.15 73.07 1.01 Allowed Glycine 0 CA--C 1.536 1.388 0 N-CA-C 115.231 0.853 . . . . 0.0 115.231 179.542 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 21.8 tttm -159.36 113.48 2.34 Favored 'General case' 0 CA--C 1.565 1.548 0 N-CA-C 105.964 -1.865 . . . . 0.0 105.964 177.18 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 1.4 mp -99.79 124.89 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.401 0 CA-C-O 124.054 1.883 . . . . 0.0 111.154 -176.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 82.3 p -106.11 169.17 8.66 Favored 'General case' 0 CA--C 1.578 2.025 0 CA-C-N 110.314 -3.13 . . . . 0.0 106.473 174.027 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 38.4 t80 -52.99 -33.49 51.7 Favored 'General case' 0 CA--C 1.583 2.238 0 N-CA-C 116.19 1.922 . . . . 0.0 116.19 -179.714 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -59.6 -44.47 93.39 Favored 'General case' 0 N--CA 1.498 1.957 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 177.351 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -60.62 -42.87 97.75 Favored 'General case' 0 CA--C 1.577 2.018 0 CA-C-N 115.12 -0.945 . . . . 0.0 109.67 175.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 78.8 mt -53.87 -46.29 71.27 Favored 'General case' 0 N--CA 1.504 2.262 0 CA-C-N 119.529 1.059 . . . . 0.0 112.241 174.085 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 49.8 mtmt -58.5 -50.79 72.48 Favored 'General case' 0 N--CA 1.493 1.683 0 CA-C-O 117.44 -1.267 . . . . 0.0 113.043 176.233 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 2.8 ppt_? -60.02 -45.15 93.72 Favored 'General case' 0 N--CA 1.501 2.106 0 CA-C-O 117.191 -1.385 . . . . 0.0 112.206 177.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -64.08 -54.94 25.24 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.217 0 CA-C-N 120.735 1.607 . . . . 0.0 110.312 177.939 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -43.8 -42.18 5.43 Favored 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 115.721 1.748 . . . . 0.0 115.721 177.572 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.08 -22.21 42.5 Favored 'General case' 0 CA--C 1.594 2.643 0 CA-C-N 120.036 1.289 . . . . 0.0 113.05 172.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -75.46 -42.9 52.05 Favored 'General case' 0 N--CA 1.493 1.704 0 N-CA-C 119.432 3.123 . . . . 0.0 119.432 178.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -58.28 -47.19 84.43 Favored 'General case' 0 N--CA 1.49 1.558 0 N-CA-C 117.327 2.343 . . . . 0.0 117.327 -177.68 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 161.68 -42.5 0.39 Allowed Glycine 0 N--CA 1.487 2.053 0 N-CA-C 117.364 1.706 . . . . 0.0 117.364 179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 46.8 mt-10 -123.13 122.21 37.88 Favored 'General case' 0 N--CA 1.496 1.856 0 CA-C-N 119.383 1.591 . . . . 0.0 109.32 -178.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 9.6 t-20 -83.54 150.82 25.72 Favored 'General case' 0 CA--C 1.573 1.852 0 N-CA-C 115.285 1.587 . . . . 0.0 115.285 -177.71 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . 0.581 HD21 ' SD ' ' A' ' 93' ' ' MET . 0.3 OUTLIER -119.09 -130.79 0.3 Allowed 'General case' 0 CA--C 1.567 1.627 0 C-N-CA 125.692 1.597 . . . . 0.0 108.43 -178.7 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.479 ' O ' HD13 ' A' ' 142' ' ' LEU . 2.0 t -152.98 160.61 43.04 Favored 'General case' 0 CA--C 1.56 1.356 0 CA-C-O 126.221 2.915 . . . . 0.0 111.581 179.018 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 10.5 p-10 -43.21 -52.06 5.8 Favored 'General case' 0 CA--C 1.573 1.835 0 CA-C-N 109.468 -3.514 . . . . 0.0 115.932 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 pt-20 -60.23 -42.32 94.97 Favored 'General case' 0 CA--C 1.569 1.673 0 C-N-CA 125.463 1.505 . . . . 0.0 113.643 178.682 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 8.9 tp10 -59.27 -51.34 70.4 Favored 'General case' 0 CA--C 1.584 2.283 0 C-N-CA 123.95 0.9 . . . . 0.0 109.93 174.46 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 138' ' ' THR . 2.8 mp -57.56 -43.07 84.22 Favored 'General case' 0 CA--C 1.56 1.338 0 O-C-N 120.137 -1.602 . . . . 0.0 114.312 174.714 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.422 HE22 HG21 ' A' ' 146' ' ' ILE 0.274 1.0 OUTLIER -67.45 -32.51 73.41 Favored 'General case' 0 CA--C 1.567 1.613 0 CA-C-N 119.997 1.271 . . . . 0.0 112.185 178.855 . . . . . . . . 4 4 . 1 . 018 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -62.11 -42.13 98.92 Favored 'General case' 0 CA--C 1.587 2.371 0 CA-C-N 120.715 1.598 . . . . 0.0 109.903 173.072 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 38.6 mmt -59.66 -43.46 93.93 Favored 'General case' 0 CA--C 1.58 2.097 0 C-N-CA 123.592 0.757 . . . . 0.0 112.11 174.869 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.422 HG21 HE22 ' A' ' 143' ' ' GLN . 14.8 mm -59.81 -54.88 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.515 0 C-N-CA 124.948 1.299 . . . . 0.0 111.319 175.316 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -55.76 -39.55 71.34 Favored 'General case' 0 N--CA 1.5 2.029 0 CA-C-O 118.293 -0.86 . . . . 0.0 113.306 -179.712 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 5.8 pt-20 -69.25 -38.27 78.36 Favored 'General case' 0 CA--C 1.597 2.785 0 CA-C-N 120.337 1.426 . . . . 0.0 113.561 173.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.452 ' HB1' HG22 ' A' ' 157' ' ' VAL . . . -74.7 -40.4 61.37 Favored 'General case' 0 CA--C 1.574 1.888 0 N-CA-C 118.906 2.928 . . . . 0.0 118.906 179.5 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.293 26.1 t70 -67.8 49.42 0.05 Allowed 'General case' 0 CA--C 1.594 2.651 0 C-N-CA 126.903 2.081 . . . . 0.0 115.743 -179.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.293 3.4 tmm_? -39.78 -50.11 2.36 Favored 'General case' 0 N--CA 1.51 2.546 0 N-CA-C 118.614 2.82 . . . . 0.0 118.614 -173.768 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -142.97 55.08 1.38 Allowed 'General case' 0 CA--C 1.578 2.051 0 N-CA-C 103.821 -2.659 . . . . 0.0 103.821 173.123 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -114.25 -141.58 7.75 Favored Glycine 0 CA--C 1.563 3.054 0 CA-C-N 122.434 2.379 . . . . 0.0 114.214 -177.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -129.44 42.53 3.28 Favored 'General case' 0 CA--C 1.599 2.846 0 N-CA-C 106.177 -1.786 . . . . 0.0 106.177 -177.898 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 76.95 31.0 54.95 Favored Glycine 1 CA--C 1.58 4.133 0 CA-C-N 124.11 3.141 . . . . 0.0 110.107 -169.94 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 7.3 pt-20 -160.05 154.66 24.06 Favored 'General case' 0 CA--C 1.579 2.085 0 C-N-CA 126.21 1.804 . . . . 0.0 111.488 -175.379 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.452 HG22 ' HB1' ' A' ' 149' ' ' ALA . 9.7 t -99.84 121.63 50.75 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.378 0 O-C-N 119.921 -1.737 . . . . 0.0 108.283 -176.235 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 2.4 p -99.85 172.48 7.22 Favored 'General case' 0 CA--C 1.575 1.907 0 CA-C-O 123.602 1.668 . . . . 0.0 111.984 -179.77 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -43.9 -50.03 8.17 Favored 'General case' 0 N--CA 1.501 2.125 0 N-CA-C 116.264 1.95 . . . . 0.0 116.264 178.378 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . 0.26 3.1 pt20 -61.17 -40.12 92.7 Favored 'General case' 0 CA--C 1.581 2.169 0 CA-C-N 122.06 2.209 . . . . 0.0 113.431 178.396 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -70.59 -30.56 67.27 Favored 'General case' 0 CA--C 1.586 2.355 0 CA-C-N 120.487 1.494 . . . . 0.0 111.71 173.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.463 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 1.6 t80 -64.84 -45.77 84.71 Favored 'General case' 0 N--CA 1.492 1.629 0 N-CA-C 115.62 1.711 . . . . 0.0 115.62 175.322 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 1.3 mt -79.98 -47.62 14.67 Favored 'General case' 0 CA--C 1.547 0.852 0 CA-C-O 117.318 -1.325 . . . . 0.0 112.123 -176.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 1.4 tpp180 -79.97 -60.21 2.43 Favored 'General case' 0 CA--C 1.566 1.573 0 CA-C-N 121.071 1.76 . . . . 0.0 113.152 177.529 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 1.3 tp . . . . . 0 CA--C 1.587 2.379 0 C-N-CA 130.992 3.717 . . . . 0.0 108.496 -177.126 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 . . . . . 0 N--CA 1.494 1.77 0 CA-C-O 117.86 -1.067 . . . . 0.0 113.528 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -63.1 -49.44 71.61 Favored Glycine 0 N--CA 1.489 2.189 0 CA-C-N 120.812 1.642 . . . . 0.0 114.091 176.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -62.44 -51.69 66.5 Favored 'General case' 0 CA--C 1.572 1.796 0 CA-C-O 117.776 -1.107 . . . . 0.0 110.756 176.594 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 38.9 t80 -50.74 -45.76 58.85 Favored 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 119.931 1.242 . . . . 0.0 112.224 175.224 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 6.0 tt -59.12 -56.58 20.34 Favored 'General case' 0 CA--C 1.565 1.539 0 C-N-CA 124.726 1.21 . . . . 0.0 110.454 174.233 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.567 ' CB ' ' HG1' ' A' ' 102' ' ' THR . 2.9 m -50.11 -40.37 45.72 Favored 'General case' 0 N--CA 1.5 2.063 0 C-N-CA 125.065 1.346 . . . . 0.0 113.755 176.47 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 70.3 t -61.32 -49.57 84.0 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.816 0 C-N-CA 124.773 1.229 . . . . 0.0 109.362 174.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -63.2 -44.92 93.99 Favored 'General case' 0 CA--C 1.581 2.147 0 CA-C-N 119.114 0.87 . . . . 0.0 111.197 174.023 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.558 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 65.5 p -57.2 -47.51 81.09 Favored 'General case' 0 N--CA 1.505 2.298 0 C-N-CA 124.643 1.177 . . . . 0.0 111.811 176.014 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 5.3 tm0? -60.79 -46.31 91.01 Favored 'General case' 0 CA--C 1.569 1.706 0 C-N-CA 124.203 1.001 . . . . 0.0 112.659 176.365 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 46.6 mtmt -70.6 -36.91 73.77 Favored 'General case' 0 CA--C 1.578 2.029 0 N-CA-C 113.701 1.0 . . . . 0.0 113.701 177.704 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 9.7 tpt -85.97 -29.98 23.11 Favored 'General case' 0 CA--C 1.578 2.036 0 N-CA-C 115.907 1.817 . . . . 0.0 115.907 178.175 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 28.0 t 79.69 76.68 0.05 OUTLIER 'General case' 0 N--CA 1.495 1.821 0 C-N-CA 127.293 2.237 . . . . 0.0 113.821 -179.625 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -129.83 -77.37 0.54 Allowed 'General case' 0 N--CA 1.498 1.95 0 CA-C-O 117.39 -1.29 . . . . 0.0 112.62 178.695 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.32 178.61 10.11 Favored 'General case' 0 CA--C 1.583 2.22 0 CA-C-N 122.564 2.438 . . . . 0.0 115.684 -178.576 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -64.87 174.73 1.75 Allowed 'General case' 0 CA--C 1.579 2.073 0 N-CA-C 118.669 2.84 . . . . 0.0 118.669 -179.067 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.567 ' HG1' ' CB ' ' A' ' 91' ' ' THR . 8.1 m -99.72 -176.18 3.19 Favored 'General case' 0 CA--C 1.582 2.182 0 C-N-CA 124.927 1.291 . . . . 0.0 113.592 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . 0.464 ' H ' HG22 ' A' ' 102' ' ' THR 0.256 0.0 OUTLIER 69.82 159.74 0.19 Allowed 'General case' 0 N--CA 1.512 2.643 0 C-N-CA 126.553 1.941 . . . . 0.0 112.63 -179.858 . . . . . . . . 4 4 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 2.1 mm-40 69.31 -48.97 0.6 Allowed 'General case' 0 N--CA 1.533 3.717 0 CA-C-N 123.138 2.699 . . . . 0.0 113.586 -173.514 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 50.4 tt0 -71.86 -19.97 61.88 Favored 'General case' 0 CA--C 1.557 1.235 0 C-N-CA 127.505 2.322 . . . . 0.0 113.524 178.133 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . 0.464 HG21 HG21 ' A' ' 165' ' ' ILE . 0.3 OUTLIER -46.62 -42.27 5.43 Favored 'Isoleucine or valine' 0 N--CA 1.518 2.936 0 CA-C-N 123.847 3.022 . . . . 0.0 112.463 175.728 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.505 ' HA ' ' HE1' ' A' ' 162' ' ' PHE . 1.3 mp -70.47 -43.5 69.68 Favored 'General case' 0 CA--C 1.564 1.512 0 N-CA-C 113.686 0.995 . . . . 0.0 113.686 177.698 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 4.0 mptt -68.95 -38.75 79.62 Favored 'General case' 0 CA--C 1.564 1.508 0 CA-C-O 117.817 -1.087 . . . . 0.0 112.273 176.773 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.02 -48.24 71.81 Favored 'General case' 0 CA--C 1.555 1.148 0 CA-C-N 120.964 1.711 . . . . 0.0 112.415 177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.509 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.7 t80 -66.65 -46.32 76.12 Favored 'General case' 0 N--CA 1.491 1.623 0 CA-C-N 121.1 1.773 . . . . 0.0 111.357 176.857 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -65.24 -32.23 73.79 Favored 'General case' 0 CA--C 1.578 2.044 0 CA-C-N 120.272 1.396 . . . . 0.0 112.305 179.549 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 46.9 mt -76.57 -19.91 57.38 Favored 'General case' 0 CA--C 1.59 2.512 0 CA-C-N 122.004 2.184 . . . . 0.0 111.387 172.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -66.74 -46.65 74.77 Favored 'General case' 0 CA--C 1.568 1.66 0 CA-C-N 121.558 1.981 . . . . 0.0 112.01 172.659 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -80.39 71.98 7.23 Favored 'General case' 0 CA--C 1.585 2.303 0 N-CA-C 112.603 0.594 . . . . 0.0 112.603 -179.505 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -48.67 -16.85 0.13 Allowed 'General case' 0 CA--C 1.598 2.818 0 N-CA-C 117.021 2.23 . . . . 0.0 117.021 176.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 40.1 m-20 -95.22 3.7 54.33 Favored 'General case' 0 CA--C 1.59 2.493 0 CA-C-N 120.554 1.525 . . . . 0.0 112.072 176.771 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 36.8 tt0 69.36 -3.72 1.51 Allowed 'General case' 0 N--CA 1.504 2.235 0 N-CA-C 118.905 2.928 . . . . 0.0 118.905 177.254 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 7.5 t -75.97 -26.86 57.19 Favored 'General case' 0 CA--C 1.567 1.604 0 O-C-N 120.452 -1.405 . . . . 0.0 113.934 177.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 75.15 67.33 1.75 Allowed Glycine 0 C--N 1.355 1.637 0 N-CA-C 118.663 2.225 . . . . 0.0 118.663 177.551 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -149.0 109.89 4.31 Favored 'General case' 0 CA--C 1.579 2.058 0 N-CA-C 107.247 -1.39 . . . . 0.0 107.247 177.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 0.9 OUTLIER -104.42 123.26 58.2 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.408 0 N-CA-C 105.348 -2.093 . . . . 0.0 105.348 177.026 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -103.58 165.72 10.86 Favored 'General case' 0 CA--C 1.581 2.135 0 CA-C-N 112.366 -2.197 . . . . 0.0 107.222 175.556 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 19.2 t80 -44.89 -45.25 10.22 Favored 'General case' 0 N--CA 1.511 2.598 0 N-CA-C 119.091 2.997 . . . . 0.0 119.091 -178.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 3.9 mptp? -62.62 -44.8 95.39 Favored 'General case' 0 CA--C 1.579 2.085 0 CA-C-N 114.086 -1.415 . . . . 0.0 112.237 179.141 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.262 0.7 OUTLIER -67.21 -31.26 71.53 Favored 'General case' 0 N--CA 1.511 2.576 0 CA-C-N 119.909 1.231 . . . . 0.0 108.755 174.901 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 95.1 mt -54.87 -44.67 74.24 Favored 'General case' 0 N--CA 1.506 2.33 0 CA-C-N 122.363 2.347 . . . . 0.0 110.68 171.398 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 68.2 mttm -56.59 -50.55 71.62 Favored 'General case' 0 N--CA 1.493 1.684 0 C-N-CA 124.514 1.126 . . . . 0.0 112.41 175.293 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -60.21 -47.65 85.08 Favored 'General case' 0 N--CA 1.504 2.265 0 CA-C-O 117.304 -1.332 . . . . 0.0 111.975 177.335 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 21.2 t -66.96 -33.49 63.73 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.641 0 CA-C-N 119.988 1.267 . . . . 0.0 112.133 -179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.98 -50.53 72.4 Favored 'General case' 0 CA--C 1.569 1.682 0 CA-C-N 119.656 1.116 . . . . 0.0 111.426 175.123 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 29.5 pttt -77.34 -33.1 55.49 Favored 'General case' 0 CA--C 1.587 2.391 0 CA-C-N 120.197 1.362 . . . . 0.0 114.61 174.643 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 32.5 tt0 -72.22 -22.3 61.28 Favored 'General case' 0 N--CA 1.498 1.964 0 N-CA-C 117.346 2.35 . . . . 0.0 117.346 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 12.4 mt -71.71 -72.38 0.23 Allowed 'General case' 0 CA--C 1.564 1.515 0 C-N-CA 124.775 1.23 . . . . 0.0 111.641 178.04 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -159.78 -48.33 0.01 OUTLIER Glycine 0 N--CA 1.487 2.073 0 CA-C-O 118.622 -1.099 . . . . 0.0 115.363 179.128 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -141.98 139.69 32.5 Favored 'General case' 0 CA--C 1.574 1.886 0 CA-C-N 119.375 1.587 . . . . 0.0 106.734 178.77 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 8.4 t-20 -67.13 167.05 12.74 Favored 'General case' 0 CA--C 1.579 2.077 0 N-CA-C 119.417 3.117 . . . . 0.0 119.417 -175.522 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 5.7 tp -136.96 131.93 33.68 Favored 'General case' 0 CA--C 1.575 1.934 0 N-CA-C 104.422 -2.436 . . . . 0.0 104.422 178.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 2.3 t -78.98 166.45 22.35 Favored 'General case' 0 N--CA 1.491 1.589 0 CA-C-O 123.533 1.635 . . . . 0.0 114.359 -175.325 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.2 p-10 -40.15 -52.15 2.59 Favored 'General case' 0 CA--C 1.568 1.671 0 N-CA-C 117.643 2.46 . . . . 0.0 117.643 178.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -62.65 -45.84 90.96 Favored 'General case' 0 CA--C 1.576 1.971 0 C-N-CA 125.235 1.414 . . . . 0.0 112.212 178.177 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 31.4 mt-10 -56.24 -55.55 31.92 Favored 'General case' 0 N--CA 1.507 2.404 0 CA-C-O 122.341 1.067 . . . . 0.0 112.024 176.134 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 16.2 mt -58.17 -35.97 72.36 Favored 'General case' 0 CA--C 1.561 1.37 0 C-N-CA 124.833 1.253 . . . . 0.0 112.984 176.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . 0.261 22.4 tp60 -72.43 -36.69 68.65 Favored 'General case' 0 CA--C 1.566 1.57 0 CA-C-N 120.441 1.473 . . . . 0.0 111.131 -179.738 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -60.52 -41.34 94.19 Favored 'General case' 0 CA--C 1.587 2.396 0 CA-C-N 120.741 1.609 . . . . 0.0 110.116 172.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 39.3 mmt -60.28 -42.32 95.21 Favored 'General case' 0 CA--C 1.579 2.068 0 C-N-CA 123.34 0.656 . . . . 0.0 111.598 174.317 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.402 ' O ' ' HB3' ' A' ' 150' ' ' ASP . 3.5 mm -58.39 -60.11 2.7 Favored 'Isoleucine or valine' 0 N--CA 1.483 1.18 0 CA-C-O 116.604 -1.665 . . . . 0.0 110.447 175.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 2.4 t0 -55.88 -41.72 74.88 Favored 'General case' 0 N--CA 1.499 1.997 0 CA-C-O 116.933 -1.508 . . . . 0.0 113.186 -177.67 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -60.36 -39.27 86.56 Favored 'General case' 0 N--CA 1.515 2.792 0 CA-C-N 122.736 2.516 . . . . 0.0 112.97 174.31 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.485 ' HB1' HG22 ' A' ' 157' ' ' VAL 0.261 . . -80.04 -26.48 39.72 Favored 'General case' 0 CA--C 1.572 1.805 0 N-CA-C 120.268 3.433 . . . . 0.0 120.268 177.826 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . 0.402 ' HB3' ' O ' ' A' ' 146' ' ' ILE . 0.0 OUTLIER -72.82 12.66 0.48 Allowed 'General case' 0 N--CA 1.501 2.114 0 N-CA-C 121.644 3.942 . . . . 0.0 121.644 -175.833 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . 0.278 0.3 OUTLIER -45.53 -44.22 12.51 Favored 'General case' 0 CA--C 1.556 1.21 0 N-CA-C 121.308 3.818 . . . . 0.0 121.308 -172.702 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 23.1 t70 -116.12 50.83 1.0 Allowed 'General case' 0 CA--C 1.575 1.921 0 CA-C-N 119.494 1.043 . . . . 0.0 109.448 175.51 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -148.73 -144.39 3.95 Favored Glycine 0 CA--C 1.563 3.033 0 O-C-N 119.803 -1.811 . . . . 0.0 113.845 179.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 26.3 t70 -129.5 47.49 2.49 Favored 'General case' 0 CA--C 1.599 2.841 0 N-CA-C 104.16 -2.533 . . . . 0.0 104.16 -178.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 82.59 31.69 29.49 Favored Glycine 0 CA--C 1.571 3.551 0 CA-C-N 124.54 3.336 . . . . 0.0 113.071 -173.743 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -152.05 154.77 36.61 Favored 'General case' 0 CA--C 1.568 1.641 0 C-N-CA 126.455 1.902 . . . . 0.0 108.84 -178.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.485 HG22 ' HB1' ' A' ' 149' ' ' ALA . 2.3 t -99.8 125.39 53.46 Favored 'Isoleucine or valine' 0 N--CA 1.499 1.98 0 O-C-N 120.662 -1.273 . . . . 0.0 110.112 -175.141 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.409 ' H ' ' CG ' ' A' ' 161' ' ' GLU . 0.7 OUTLIER -100.02 170.4 8.52 Favored 'General case' 0 CA--C 1.563 1.448 0 C-N-CA 125.289 1.436 . . . . 0.0 111.567 -179.649 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.287 0.0 OUTLIER -54.07 -46.71 72.06 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 116.474 2.027 . . . . 0.0 116.474 -178.608 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.441 ' HA ' HD22 ' A' ' 163' ' ' LEU . 3.1 pt20 -67.27 -33.25 74.92 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 119.516 -1.99 . . . . 0.0 112.288 176.43 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.409 ' CG ' ' H ' ' A' ' 158' ' ' SER 0.262 2.3 pt-20 -73.05 -23.25 60.55 Favored 'General case' 0 CA--C 1.604 3.041 0 CA-C-N 121.619 2.009 . . . . 0.0 110.411 172.693 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.509 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.2 OUTLIER -65.45 -41.86 92.98 Favored 'General case' 0 N--CA 1.508 2.458 0 C-N-CA 126.75 2.02 . . . . 0.0 111.427 170.945 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.441 HD22 ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -77.02 -28.72 55.04 Favored 'General case' 0 CA--C 1.576 1.973 0 C-N-CA 126.803 2.041 . . . . 0.0 112.616 176.154 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -50.4 -21.16 1.33 Allowed 'General case' 0 N--CA 1.504 2.228 0 N-CA-C 116.629 2.085 . . . . 0.0 116.629 179.427 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.464 HG21 HG21 ' A' ' 106' ' ' ILE . 0.0 OUTLIER . . . . . 0 CA--C 1.575 1.926 0 C-N-CA 125.256 1.422 . . . . 0.0 114.126 175.648 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.6 m-85 . . . . . 0 N--CA 1.494 1.736 0 CA-C-O 116.396 -1.764 . . . . 0.0 115.159 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -53.95 -33.12 49.96 Favored Glycine 0 N--CA 1.498 2.772 0 CA-C-N 122.616 2.462 . . . . 0.0 116.603 177.779 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 4.6 t70 -70.0 -54.32 13.76 Favored 'General case' 0 CA--C 1.578 2.033 0 C-N-CA 123.859 0.863 . . . . 0.0 110.437 175.608 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 26.8 t80 -56.65 -43.73 80.62 Favored 'General case' 0 N--CA 1.512 2.64 0 CA-C-N 121.051 1.75 . . . . 0.0 111.179 174.171 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 5.6 tt -58.63 -55.18 38.34 Favored 'General case' 0 CA--C 1.56 1.355 0 C-N-CA 125.282 1.433 . . . . 0.0 113.043 175.153 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 6.5 t -56.22 -40.19 73.67 Favored 'General case' 0 N--CA 1.506 2.334 0 CA-C-N 118.724 0.693 . . . . 0.0 112.273 178.073 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 61.2 t -56.89 -50.28 76.03 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.199 0 C-N-CA 124.43 1.092 . . . . 0.0 110.388 174.096 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 3.1 tpp -64.12 -41.51 97.21 Favored 'General case' 0 CA--C 1.58 2.11 0 N-CA-C 113.819 1.044 . . . . 0.0 113.819 176.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 71.3 p -73.78 -53.57 9.99 Favored 'General case' 0 N--CA 1.505 2.276 0 C-N-CA 124.082 0.953 . . . . 0.0 112.221 178.1 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -49.57 -37.61 28.05 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 116.392 1.997 . . . . 0.0 116.392 179.499 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 44.5 mtpt -79.04 87.16 4.84 Favored 'General case' 0 CA--C 1.573 1.839 0 N-CA-C 105.72 -1.955 . . . . 0.0 105.72 176.558 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 37.0 mmt 107.32 20.18 0.0 OUTLIER 'General case' 0 CA--C 1.6 2.889 0 C-N-CA 129.124 2.97 . . . . 0.0 111.307 -174.547 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 23.1 t 63.12 -75.14 0.04 OUTLIER 'General case' 0 N--CA 1.498 1.933 0 N-CA-C 117.116 2.265 . . . . 0.0 117.116 179.146 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . 0.275 4.6 mm-40 59.85 -113.73 0.64 Allowed 'General case' 0 CA--C 1.577 1.985 0 CA-C-O 116.886 -1.531 . . . . 0.0 113.635 -178.475 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -162.1 -128.18 0.02 OUTLIER 'General case' 0 CA--C 1.583 2.244 0 CA-C-N 123.028 2.649 . . . . 0.0 111.955 -178.157 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . 0.281 73.3 m-20 70.08 -132.37 0.06 Allowed 'General case' 0 CA--C 1.578 2.04 0 C-N-CA 127.384 2.274 . . . . 0.0 116.405 177.256 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 11.8 m 73.89 107.97 0.07 Allowed 'General case' 0 N--CA 1.51 2.536 0 CA-C-N 120.998 1.726 . . . . 0.0 109.249 -176.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.251 0.0 OUTLIER 60.6 160.55 0.05 OUTLIER 'General case' 0 N--CA 1.515 2.809 0 C-N-CA 127.436 2.294 . . . . 0.0 115.256 -176.203 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER 67.46 -47.87 0.5 Allowed 'General case' 0 N--CA 1.535 3.777 0 CA-C-N 123.201 2.728 . . . . 0.0 110.676 -171.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -49.38 -33.78 14.55 Favored 'General case' 0 C--N 1.358 0.974 0 C-N-CA 128.452 2.701 . . . . 0.0 115.053 175.064 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.4 OUTLIER -64.42 -48.0 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.306 0 CA-C-N 123.114 2.688 . . . . 0.0 108.53 175.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 mp -70.89 -43.46 68.3 Favored 'General case' 0 N--CA 1.489 1.477 0 N-CA-C 113.432 0.901 . . . . 0.0 113.432 176.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 6.8 tppt? -70.12 -40.5 74.83 Favored 'General case' 0 CA--C 1.56 1.346 0 CA-C-O 116.782 -1.58 . . . . 0.0 113.537 177.237 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -71.1 -39.37 72.12 Favored 'General case' 0 N--CA 1.487 1.395 0 CA-C-N 122.244 2.293 . . . . 0.0 112.342 177.313 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.458 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 5.8 t80 -69.85 -47.07 64.08 Favored 'General case' 0 N--CA 1.486 1.364 0 CA-C-N 121.455 1.934 . . . . 0.0 111.963 177.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 30.1 mmtt -65.24 -36.09 83.05 Favored 'General case' 0 CA--C 1.587 2.393 0 CA-C-N 120.587 1.54 . . . . 0.0 110.321 178.845 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 48.5 mt -75.28 -20.01 59.38 Favored 'General case' 0 CA--C 1.584 2.264 0 CA-C-N 122.244 2.293 . . . . 0.0 112.916 174.18 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.522 ' CE1' HG11 ' A' ' 129' ' ' VAL . 6.4 m-85 -64.46 -45.98 85.07 Favored 'General case' 0 N--CA 1.489 1.502 0 CA-C-N 122.157 2.253 . . . . 0.0 110.102 171.123 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -78.43 86.01 4.5 Favored 'General case' 0 CA--C 1.592 2.569 0 N-CA-C 105.656 -1.979 . . . . 0.0 105.656 179.067 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -47.57 -14.29 0.04 OUTLIER 'General case' 0 CA--C 1.599 2.844 0 N-CA-C 117.786 2.513 . . . . 0.0 117.786 179.01 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.8 t70 -105.1 -1.51 25.48 Favored 'General case' 0 CA--C 1.595 2.683 0 C-N-CA 125.36 1.464 . . . . 0.0 112.106 176.465 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 31.0 tp10 73.03 -2.07 2.84 Favored 'General case' 0 CA--C 1.584 2.258 0 N-CA-C 117.649 2.463 . . . . 0.0 117.649 178.276 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 9.4 p -57.39 -41.75 80.85 Favored 'General case' 0 N--CA 1.499 1.992 0 O-C-N 119.281 -2.137 . . . . 0.0 112.328 176.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 92.45 72.75 1.22 Allowed Glycine 0 CA--C 1.534 1.247 0 N-CA-C 116.8 1.48 . . . . 0.0 116.8 178.78 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -150.06 110.06 4.12 Favored 'General case' 0 CA--C 1.58 2.112 0 CA-C-O 118.57 -0.728 . . . . 0.0 111.742 179.826 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . 0.418 HD13 ' CE2' ' A' ' 110' ' ' PHE . 0.2 OUTLIER -111.23 128.06 67.95 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.355 0 CA-C-N 121.474 1.943 . . . . 0.0 109.015 178.136 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 78.6 p -108.95 172.24 6.96 Favored 'General case' 0 CA--C 1.584 2.255 0 CA-C-N 112.272 -2.24 . . . . 0.0 107.159 172.533 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . 0.454 ' HE1' HD22 ' A' ' 142' ' ' LEU . 1.3 t80 -49.38 -43.51 44.27 Favored 'General case' 0 N--CA 1.516 2.874 0 N-CA-C 116.78 2.141 . . . . 0.0 116.78 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -50.75 -50.08 56.48 Favored 'General case' 0 CA--C 1.577 2.006 0 N-CA-C 114.302 1.223 . . . . 0.0 114.302 179.061 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . 0.478 ' O ' HG12 ' A' ' 129' ' ' VAL . 0.9 OUTLIER -68.86 -34.11 74.91 Favored 'General case' 0 N--CA 1.503 2.207 0 CA-C-O 116.959 -1.495 . . . . 0.0 109.913 175.475 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 69.9 mt -58.02 -38.53 76.35 Favored 'General case' 0 N--CA 1.502 2.16 0 CA-C-N 122.629 2.468 . . . . 0.0 112.86 175.129 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . 0.333 11.9 ptpt -74.42 -33.97 63.13 Favored 'General case' 0 CA--C 1.575 1.937 0 CA-C-O 114.652 -2.594 . . . . 0.0 109.628 175.099 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . 0.28 0.6 OUTLIER -60.72 -49.2 78.47 Favored 'General case' 0 N--CA 1.512 2.648 0 CA-C-N 124.785 3.448 . . . . 0.0 110.067 173.191 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.522 HG11 ' CE1' ' A' ' 113' ' ' PHE . 0.1 OUTLIER -56.21 -45.05 80.88 Favored 'Isoleucine or valine' 0 N--CA 1.495 1.796 0 CA-C-N 120.411 1.46 . . . . 0.0 113.111 178.242 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.94 -49.52 71.16 Favored 'General case' 0 CA--C 1.573 1.85 0 CA-C-O 118.387 -0.816 . . . . 0.0 112.648 176.398 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -80.03 -20.98 44.07 Favored 'General case' 0 CA--C 1.584 2.272 0 N-CA-C 115.01 1.485 . . . . 0.0 115.01 174.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 22.4 tt0 -79.96 -32.1 39.9 Favored 'General case' 0 N--CA 1.498 1.942 0 N-CA-C 115.74 1.756 . . . . 0.0 115.74 179.516 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 20.8 mt -75.25 -74.36 0.21 Allowed 'General case' 0 CA--C 1.565 1.523 0 C-N-CA 124.868 1.267 . . . . 0.0 112.283 178.698 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -163.37 -44.98 0.02 OUTLIER Glycine 0 N--CA 1.488 2.13 0 CA-C-O 117.54 -1.7 . . . . 0.0 117.175 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 30.9 tt0 -129.29 109.33 11.02 Favored 'General case' 0 N--CA 1.494 1.746 0 CA-C-N 120.563 2.181 . . . . 0.0 112.312 -178.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 53.7 t30 -78.76 122.62 26.25 Favored 'General case' 0 CA--C 1.566 1.559 0 O-C-N 120.943 -1.098 . . . . 0.0 110.747 178.208 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 49.5 mt -80.84 -111.61 0.02 OUTLIER 'General case' 0 N--CA 1.499 2.005 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 -179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.561 ' O ' HD13 ' A' ' 142' ' ' LEU . 2.1 t -150.78 156.4 41.2 Favored 'General case' 0 CA--C 1.561 1.381 0 CA-C-O 126.986 3.279 . . . . 0.0 110.623 178.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -41.56 -48.6 4.0 Favored 'General case' 0 CA--C 1.572 1.814 0 CA-C-N 109.082 -3.69 . . . . 0.0 116.964 176.162 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -64.14 -42.45 96.78 Favored 'General case' 0 CA--C 1.567 1.626 0 C-N-CA 125.121 1.368 . . . . 0.0 113.224 178.579 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 5.4 tp10 -57.34 -51.76 68.09 Favored 'General case' 0 CA--C 1.578 2.058 0 C-N-CA 124.819 1.248 . . . . 0.0 110.148 174.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.561 HD13 ' O ' ' A' ' 138' ' ' THR . 1.2 mp -60.47 -49.63 76.78 Favored 'General case' 0 CA--C 1.564 1.498 0 N-CA-C 114.9 1.445 . . . . 0.0 114.9 176.04 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 45.7 tp60 -66.23 -33.61 76.14 Favored 'General case' 0 CA--C 1.577 2.016 0 CA-C-O 118.221 -0.895 . . . . 0.0 111.899 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 19.5 mm-40 -64.75 -39.84 94.3 Favored 'General case' 0 CA--C 1.583 2.227 0 CA-C-N 120.545 1.521 . . . . 0.0 109.34 173.491 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 21.8 mmt -58.48 -39.54 80.26 Favored 'General case' 0 CA--C 1.578 2.057 0 CA-C-N 119.555 1.071 . . . . 0.0 110.699 173.165 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 16.7 mm -58.04 -53.5 44.77 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.513 0 C-N-CA 124.631 1.172 . . . . 0.0 110.407 173.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.5 t70 -55.15 -37.66 67.25 Favored 'General case' 0 N--CA 1.503 2.219 0 CA-C-N 119.598 1.09 . . . . 0.0 113.226 179.238 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 1.4 mm-40 -65.02 -48.14 74.94 Favored 'General case' 0 N--CA 1.512 2.647 0 CA-C-O 122.866 1.317 . . . . 0.0 112.432 172.546 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.468 ' HB1' ' CG2' ' A' ' 157' ' ' VAL . . . -69.54 -32.1 70.71 Favored 'General case' 0 CA--C 1.574 1.895 0 N-CA-C 120.293 3.442 . . . . 0.0 120.293 -179.403 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 21.6 t0 -78.56 62.8 3.22 Favored 'General case' 0 CA--C 1.594 2.668 0 C-N-CA 125.791 1.636 . . . . 0.0 112.022 -179.579 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -53.55 -44.19 69.04 Favored 'General case' 0 CA--C 1.561 1.39 0 O-C-N 118.245 -2.784 . . . . 0.0 115.832 -178.195 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.1 p30 -66.49 -30.22 70.51 Favored 'General case' 0 CA--C 1.585 2.317 0 CA-C-N 119.923 1.238 . . . . 0.0 112.785 174.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 90.14 22.22 36.09 Favored Glycine 0 N--CA 1.486 2.008 0 N-CA-C 120.693 3.037 . . . . 0.0 120.693 178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -90.33 -30.95 17.13 Favored 'General case' 0 N--CA 1.503 2.204 0 CA-C-N 119.843 1.821 . . . . 0.0 112.717 177.014 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 148.18 -22.27 1.4 Allowed Glycine 0 CA--C 1.55 2.251 0 N-CA-C 118.288 2.075 . . . . 0.0 118.288 -179.405 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -129.82 177.54 7.17 Favored 'General case' 0 CA--C 1.578 2.024 0 CA-C-O 123.221 1.486 . . . . 0.0 110.962 -179.748 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.468 ' CG2' ' HB1' ' A' ' 149' ' ' ALA . 4.6 t -101.55 121.21 52.2 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.913 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 179.459 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 35.8 m -99.97 170.93 8.17 Favored 'General case' 0 CA--C 1.565 1.542 0 CA-C-O 122.05 0.928 . . . . 0.0 112.573 -178.594 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . 0.274 9.3 pt-20 -59.75 -41.53 91.18 Favored 'General case' 0 N--CA 1.498 1.93 0 N-CA-C 115.561 1.689 . . . . 0.0 115.561 -177.795 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -60.91 -36.92 80.53 Favored 'General case' 0 CA--C 1.582 2.197 0 CA-C-N 121.454 1.933 . . . . 0.0 112.413 175.077 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -75.73 -20.01 58.65 Favored 'General case' 0 N--CA 1.497 1.911 0 O-C-N 120.4 -1.437 . . . . 0.0 112.943 176.758 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.458 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.2 OUTLIER -71.63 -57.5 4.33 Favored 'General case' 0 CA--C 1.556 1.173 0 C-N-CA 126.009 1.724 . . . . 0.0 110.578 174.791 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -80.13 -60.03 2.49 Favored 'General case' 0 CA--C 1.572 1.794 0 N-CA-C 114.947 1.462 . . . . 0.0 114.947 179.811 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . 0.252 6.6 ptt-85 -80.19 -40.37 27.37 Favored 'General case' 0 N--CA 1.499 1.984 0 N-CA-C 121.625 3.935 . . . . 0.0 121.625 -175.156 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 2.4 tp . . . . . 0 N--CA 1.523 3.221 0 CA-C-N 125.667 3.849 . . . . 0.0 118.388 -178.982 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.1 m-85 . . . . . 0 CA--C 1.599 2.852 1 N-CA-C 99.799 -4.148 . . . . 0.0 99.799 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -39.79 -38.37 1.11 Allowed Glycine 0 N--CA 1.512 3.736 0 CA-C-N 124.68 3.4 . . . . 0.0 118.435 -177.92 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . 0.406 ' O ' HG23 ' A' ' 92' ' ' VAL . 21.6 t70 -70.19 -52.62 21.96 Favored 'General case' 0 CA--C 1.58 2.114 0 CA-C-O 117.077 -1.439 . . . . 0.0 108.616 171.972 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.01 -40.6 76.96 Favored 'General case' 0 CA--C 1.6 2.884 0 CA-C-N 122.77 2.532 . . . . 0.0 112.385 175.04 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 tt -58.64 -60.05 4.44 Favored 'General case' 0 N--CA 1.482 1.168 0 C-N-CA 126.002 1.721 . . . . 0.0 111.541 176.175 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . 0.549 ' HA ' ' OG1' ' A' ' 94' ' ' THR . 4.9 m -53.6 -40.19 65.52 Favored 'General case' 0 N--CA 1.502 2.157 0 N-CA-C 114.509 1.3 . . . . 0.0 114.509 178.668 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . 0.406 HG23 ' O ' ' A' ' 88' ' ' ASP . 69.9 t -60.76 -42.94 94.07 Favored 'Isoleucine or valine' 0 N--CA 1.49 1.525 0 C-N-CA 123.698 0.799 . . . . 0.0 111.685 175.41 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.535 ' CG ' HD13 ' A' ' 133' ' ' LEU . 0.0 OUTLIER -78.1 -46.2 21.38 Favored 'General case' 0 CA--C 1.587 2.374 0 N-CA-C 113.902 1.075 . . . . 0.0 113.902 175.993 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . 0.549 ' OG1' ' HA ' ' A' ' 91' ' ' THR . 46.5 p -49.17 -32.79 10.86 Favored 'General case' 0 N--CA 1.51 2.555 0 C-N-CA 127.216 2.206 . . . . 0.0 115.46 179.452 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.5 pp0? -53.82 -25.23 18.42 Favored 'General case' 0 CA--C 1.585 2.314 0 CA-C-N 120.7 1.591 . . . . 0.0 113.975 174.415 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 16.9 ttmm -83.29 -50.53 8.29 Favored 'General case' 0 CA--C 1.581 2.137 0 CA-C-N 119.506 1.048 . . . . 0.0 110.705 174.999 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 16.9 tpt -133.47 117.7 17.49 Favored 'General case' 0 N--CA 1.491 1.589 0 N-CA-C 106.655 -1.609 . . . . 0.0 106.655 178.393 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 10.9 t -31.27 -58.23 0.24 Allowed 'General case' 0 N--CA 1.504 2.271 0 N-CA-C 119.954 3.316 . . . . 0.0 119.954 -177.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 18.9 mm-40 38.02 97.3 0.0 OUTLIER 'General case' 0 CA--C 1.582 2.208 0 N-CA-C 121.71 3.967 . . . . 0.0 121.71 176.942 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 2.5 mppt? 63.64 168.15 0.15 Allowed 'General case' 0 N--CA 1.507 2.423 0 N-CA-C 118.862 2.912 . . . . 0.0 118.862 176.394 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 3.6 p30 -122.14 -93.96 0.51 Allowed 'General case' 0 CA--C 1.579 2.07 0 N-CA-C 116.106 1.891 . . . . 0.0 116.106 -176.976 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.6 t -160.2 154.56 23.59 Favored 'General case' 0 N--CA 1.506 2.374 0 O-C-N 119.05 -2.281 . . . . 0.0 114.239 -178.064 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER 70.59 148.33 0.08 Allowed 'General case' 0 N--CA 1.515 2.812 0 C-N-CA 126.434 1.894 . . . . 0.0 110.483 -177.636 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 48.1 mm-40 73.45 -54.68 0.69 Allowed 'General case' 0 N--CA 1.538 3.928 0 CA-C-N 124.028 3.104 . . . . 0.0 107.99 -169.161 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 56.5 mm-40 -39.96 -46.26 2.03 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 131.437 3.895 . . . . 0.0 114.57 175.348 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 4.8 tt -68.96 -41.94 82.07 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.299 0 CA-C-N 120.51 1.505 . . . . 0.0 112.935 176.967 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.2 mm? -71.79 -47.59 52.36 Favored 'General case' 0 N--CA 1.488 1.474 0 N-CA-C 114.264 1.209 . . . . 0.0 114.264 179.401 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 27.2 mmtt -68.04 -38.88 83.01 Favored 'General case' 0 N--CA 1.492 1.66 0 CA-C-N 120.096 1.317 . . . . 0.0 112.072 176.895 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -69.23 -42.3 75.88 Favored 'General case' 0 C--N 1.364 1.222 0 CA-C-N 121.353 1.888 . . . . 0.0 113.851 178.482 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.479 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 9.4 t80 -66.67 -47.26 73.05 Favored 'General case' 0 N--CA 1.485 1.291 0 CA-C-N 121.016 1.735 . . . . 0.0 110.562 176.356 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 4.0 mmmp? -61.92 -36.63 81.94 Favored 'General case' 0 CA--C 1.575 1.939 0 CA-C-N 120.85 1.659 . . . . 0.0 113.314 -179.451 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 51.5 mt -80.06 -19.97 46.33 Favored 'General case' 0 CA--C 1.579 2.091 0 CA-C-N 121.984 2.174 . . . . 0.0 112.186 173.512 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.576 ' CE1' HG21 ' A' ' 129' ' ' VAL . 0.0 OUTLIER -66.34 -42.25 88.4 Favored 'General case' 0 CA--C 1.558 1.253 0 CA-C-N 121.334 1.879 . . . . 0.0 111.399 172.562 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.7 p-10 -76.12 75.76 2.97 Favored 'General case' 0 CA--C 1.594 2.638 0 CA-C-N 118.385 0.538 . . . . 0.0 112.084 -179.316 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 25.0 m-20 -39.97 -11.94 0.01 OUTLIER 'General case' 0 CA--C 1.609 3.222 0 N-CA-C 118.929 2.937 . . . . 0.0 118.929 175.81 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -100.3 -12.12 19.76 Favored 'General case' 0 CA--C 1.585 2.324 0 C-N-CA 125.77 1.628 . . . . 0.0 112.304 177.419 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 48.6 tp10 78.36 -7.99 1.72 Allowed 'General case' 0 CA--C 1.597 2.768 0 C-N-CA 126.768 2.027 . . . . 0.0 115.116 -178.73 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.9 t -71.79 -21.7 61.68 Favored 'General case' 0 CA--C 1.572 1.813 0 C-N-CA 127.094 2.157 . . . . 0.0 115.25 178.433 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 82.55 65.53 1.61 Allowed Glycine 0 C--N 1.348 1.246 0 N-CA-C 117.668 1.827 . . . . 0.0 117.668 178.637 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -155.33 124.14 6.1 Favored 'General case' 0 CA--C 1.561 1.388 0 C-N-CA 123.789 0.836 . . . . 0.0 108.797 178.509 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . 0.27 0.5 OUTLIER -99.9 119.97 48.68 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.96 0 N-CA-C 104.101 -2.555 . . . . 0.0 104.101 176.448 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 77.7 p -100.34 163.13 12.52 Favored 'General case' 0 CA--C 1.584 2.263 0 CA-C-N 111.695 -2.502 . . . . 0.0 106.479 174.318 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -51.82 -38.55 56.24 Favored 'General case' 0 N--CA 1.521 3.114 0 O-C-N 119.757 -1.839 . . . . 0.0 113.961 177.016 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 41.0 tptt -54.56 -45.39 73.47 Favored 'General case' 0 N--CA 1.499 2.007 0 C-N-CA 124.586 1.155 . . . . 0.0 113.05 177.15 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 1.8 m120 -65.44 -35.87 82.21 Favored 'General case' 0 CA--C 1.585 2.296 0 CA-C-N 119.296 0.953 . . . . 0.0 109.693 174.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.545 ' HA ' HG22 ' A' ' 129' ' ' VAL . 76.5 mt -58.59 -40.72 84.0 Favored 'General case' 0 N--CA 1.501 2.08 0 CA-C-N 120.1 1.318 . . . . 0.0 111.506 174.67 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 58.7 mttp -61.43 -48.37 81.49 Favored 'General case' 0 N--CA 1.504 2.235 0 CA-C-N 119.646 1.112 . . . . 0.0 110.344 173.606 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 1.7 mmm-85 -51.76 -56.59 12.96 Favored 'General case' 0 N--CA 1.503 2.22 0 C-N-CA 123.118 0.567 . . . . 0.0 112.474 174.14 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.576 HG21 ' CE1' ' A' ' 113' ' ' PHE 0.286 14.6 m -65.99 -35.27 74.67 Favored 'Isoleucine or valine' 0 N--CA 1.489 1.483 0 C-N-CA 124.958 1.303 . . . . 0.0 113.708 -178.297 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -59.4 -48.92 79.82 Favored 'General case' 0 CA--C 1.572 1.813 0 CA-C-N 119.036 0.835 . . . . 0.0 110.703 173.861 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 26.6 mtpp -68.4 -42.19 79.4 Favored 'General case' 0 CA--C 1.582 2.198 0 N-CA-C 112.702 0.63 . . . . 0.0 112.702 174.035 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 17.8 tt0 -69.21 -25.46 64.33 Favored 'General case' 0 N--CA 1.49 1.555 0 N-CA-C 117.487 2.402 . . . . 0.0 117.487 -179.105 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.535 HD13 ' CG ' ' A' ' 93' ' ' MET . 17.5 mt -69.81 -66.56 0.57 Allowed 'General case' 0 CA--C 1.586 2.345 0 CA-C-N 120.577 1.535 . . . . 0.0 113.011 176.758 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 158.91 -43.79 0.47 Allowed Glycine 0 CA--C 1.557 2.68 0 C-N-CA 125.179 1.371 . . . . 0.0 112.177 -177.139 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 4.5 tp10 -94.99 106.73 18.74 Favored 'General case' 0 CA--C 1.565 1.527 0 N-CA-C 106.657 -1.608 . . . . 0.0 106.657 177.328 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 1.2 t30 -77.61 101.93 6.78 Favored 'General case' 0 CA--C 1.566 1.565 0 N-CA-C 115.336 1.606 . . . . 0.0 115.336 -177.212 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 2.4 mp -77.53 155.26 31.73 Favored 'General case' 0 N--CA 1.494 1.764 0 C-N-CA 123.242 0.617 . . . . 0.0 111.9 177.011 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . 0.65 ' O ' HD13 ' A' ' 142' ' ' LEU . 2.6 t -94.92 162.63 13.67 Favored 'General case' 0 N--CA 1.485 1.303 0 CA-C-O 125.158 2.409 . . . . 0.0 111.737 -177.799 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 11.2 p-10 -39.95 -50.97 2.52 Favored 'General case' 0 CA--C 1.572 1.803 0 CA-C-N 110.893 -2.867 . . . . 0.0 116.878 178.505 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -61.85 -41.79 98.26 Favored 'General case' 0 CA--C 1.571 1.758 0 C-N-CA 124.998 1.319 . . . . 0.0 113.251 177.258 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 27.0 mt-10 -60.12 -49.96 75.59 Favored 'General case' 0 CA--C 1.577 1.995 0 C-N-CA 123.892 0.877 . . . . 0.0 111.618 175.873 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . 0.65 HD13 ' O ' ' A' ' 138' ' ' THR . 0.7 OUTLIER -60.76 -49.6 76.83 Favored 'General case' 0 CA--C 1.557 1.233 0 N-CA-C 114.973 1.471 . . . . 0.0 114.973 177.579 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 41.1 tp60 -67.05 -32.16 73.16 Favored 'General case' 0 CA--C 1.58 2.134 0 CA-C-N 119.506 1.048 . . . . 0.0 111.584 178.905 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -61.1 -47.39 86.49 Favored 'General case' 0 CA--C 1.578 2.021 0 CA-C-N 120.151 1.341 . . . . 0.0 109.929 173.981 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 19.9 ptp -63.94 -31.37 72.52 Favored 'General case' 0 N--CA 1.5 2.045 0 CA-C-N 120.077 1.308 . . . . 0.0 111.951 175.073 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 17.8 mm -60.05 -54.12 39.19 Favored 'Isoleucine or valine' 0 N--CA 1.491 1.586 0 CA-C-N 121.686 2.039 . . . . 0.0 109.33 172.469 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -57.65 -34.64 69.56 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 113.97 1.1 . . . . 0.0 113.97 179.894 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 3.2 mm-40 -64.46 -54.58 30.34 Favored 'General case' 0 N--CA 1.509 2.496 0 CA-C-O 121.811 0.815 . . . . 0.0 109.945 171.863 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . 0.41 ' HB1' ' CG2' ' A' ' 157' ' ' VAL . . . -56.76 -39.45 74.04 Favored 'General case' 0 CA--C 1.572 1.801 0 N-CA-C 117.481 2.4 . . . . 0.0 117.481 178.71 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 38.6 t0 -90.33 96.19 10.54 Favored 'General case' 0 CA--C 1.59 2.49 0 CA-C-O 116.575 -1.678 . . . . 0.0 106.779 178.656 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -57.82 -32.87 68.01 Favored 'General case' 0 N--CA 1.504 2.252 0 CA-C-N 125.954 3.979 . . . . 0.0 118.286 -175.929 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -78.49 -36.11 45.58 Favored 'General case' 0 CA--C 1.589 2.46 0 CA-C-N 118.893 0.77 . . . . 0.0 110.668 173.363 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 88.05 51.89 3.07 Favored Glycine 0 N--CA 1.487 2.087 0 N-CA-C 118.647 2.219 . . . . 0.0 118.647 178.804 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 15.6 t70 -91.6 -42.63 10.1 Favored 'General case' 0 N--CA 1.501 2.115 0 CA-C-O 118.955 -0.545 . . . . 0.0 111.397 176.784 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 151.69 -0.97 0.32 Allowed Glycine 0 CA--C 1.552 2.375 0 N-CA-C 119.777 2.671 . . . . 0.0 119.777 -179.574 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.8 pt-20 -156.21 153.15 28.75 Favored 'General case' 0 N--CA 1.494 1.731 0 CA-C-N 120.631 2.215 . . . . 0.0 111.347 -179.355 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . 0.41 ' CG2' ' HB1' ' A' ' 149' ' ' ALA . 8.6 t -99.8 120.44 49.21 Favored 'Isoleucine or valine' 0 N--CA 1.503 2.197 0 N-CA-C 105.46 -2.052 . . . . 0.0 105.46 -178.231 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 7.1 t -99.91 173.41 6.68 Favored 'General case' 0 CA--C 1.561 1.369 0 CA-C-O 123.768 1.747 . . . . 0.0 112.187 -178.063 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -46.28 -49.35 17.52 Favored 'General case' 0 N--CA 1.489 1.525 0 CA-C-N 113.603 -1.635 . . . . 0.0 115.011 178.455 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 2.0 pp0? -61.45 -41.24 96.9 Favored 'General case' 0 CA--C 1.569 1.695 0 CA-C-O 116.295 -1.812 . . . . 0.0 113.447 177.163 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -72.71 -23.85 60.91 Favored 'General case' 0 N--CA 1.506 2.369 0 CA-C-N 123.572 2.896 . . . . 0.0 113.422 175.206 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.479 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.5 OUTLIER -62.72 -59.93 4.2 Favored 'General case' 0 CA--C 1.558 1.251 0 C-N-CA 124.822 1.249 . . . . 0.0 110.683 174.988 . . . . . . . . 3 3 . 1 . 021 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.41 ' H ' ' HG ' ' A' ' 163' ' ' LEU . 1.3 pp -80.16 -50.46 10.25 Favored 'General case' 0 CA--C 1.575 1.92 0 N-CA-C 114.231 1.197 . . . . 0.0 114.231 178.829 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 4.3 tmm_? -80.12 -33.8 38.37 Favored 'General case' 0 CA--C 1.581 2.169 0 N-CA-C 118.661 2.837 . . . . 0.0 118.661 -179.422 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 6.6 tp . . . . . 0 N--CA 1.517 2.879 0 N-CA-C 119.765 3.246 . . . . 0.0 119.765 179.97 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 9.6 m-85 . . . . . 0 CA--C 1.581 2.171 0 CA-C-O 118.446 -0.788 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -61.34 -41.1 99.43 Favored Glycine 0 N--CA 1.5 2.901 0 CA-C-N 120.509 1.504 . . . . 0.0 114.243 174.859 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 39.6 m-20 -64.24 -45.43 88.19 Favored 'General case' 0 CA--C 1.567 1.6 0 C-N-CA 124.724 1.21 . . . . 0.0 111.206 175.82 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 18.7 t80 -57.11 -44.76 83.55 Favored 'General case' 0 N--CA 1.497 1.923 0 CA-C-N 119.797 1.18 . . . . 0.0 110.215 174.641 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 4.6 mt -56.25 -56.95 14.73 Favored 'General case' 0 CA--C 1.558 1.269 0 CA-C-N 119.276 0.944 . . . . 0.0 112.361 177.424 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.0 t -56.8 -36.02 69.41 Favored 'General case' 0 N--CA 1.515 2.775 0 N-CA-C 113.889 1.07 . . . . 0.0 113.889 177.823 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -66.86 -45.24 88.04 Favored 'Isoleucine or valine' 0 CA--C 1.572 1.797 0 C-N-CA 125.288 1.435 . . . . 0.0 112.82 175.813 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.414 ' SD ' ' HA ' ' A' ' 130' ' ' ALA . 36.2 mmt -65.89 -42.77 89.86 Favored 'General case' 0 N--CA 1.493 1.711 0 CA-C-O 117.743 -1.122 . . . . 0.0 113.908 177.832 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 10.6 p -64.38 -35.11 79.84 Favored 'General case' 0 N--CA 1.483 1.195 0 CA-C-N 121.233 1.833 . . . . 0.0 111.555 177.764 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 2.8 pt20 52.82 19.5 1.32 Allowed 'General case' 0 CA--C 1.574 1.875 0 N-CA-C 114.996 1.48 . . . . 0.0 114.996 -177.928 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 55.6 mmtt -113.27 -74.9 0.61 Allowed 'General case' 0 N--CA 1.496 1.846 0 CA-C-O 117.79 -1.1 . . . . 0.0 111.09 -178.607 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 57.2 mmm -140.62 -69.98 0.39 Allowed 'General case' 0 N--CA 1.497 1.893 0 CA-C-N 120.725 1.602 . . . . 0.0 112.51 -179.526 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 6.9 t 73.17 -50.8 0.7 Allowed 'General case' 0 N--CA 1.51 2.545 0 C-N-CA 125.21 1.404 . . . . 0.0 114.058 -177.737 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 8.2 mm-40 69.53 -69.97 0.15 Allowed 'General case' 0 N--CA 1.493 1.689 0 N-CA-C 119.132 3.012 . . . . 0.0 119.132 176.037 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 66.0 pttt -160.5 152.47 20.11 Favored 'General case' 0 N--CA 1.499 1.991 0 N-CA-C 117.596 2.443 . . . . 0.0 117.596 -176.009 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 6.3 t70 -163.27 -82.53 0.03 OUTLIER 'General case' 0 CA--C 1.574 1.901 0 N-CA-C 107.248 -1.39 . . . . 0.0 107.248 175.404 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 71.3 p 63.72 109.43 0.03 OUTLIER 'General case' 0 N--CA 1.512 2.647 0 CA-C-N 120.409 1.459 . . . . 0.0 111.379 179.935 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 70.2 157.19 0.16 Allowed 'General case' 0 N--CA 1.513 2.699 0 C-N-CA 124.909 1.283 . . . . 0.0 109.516 -175.326 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 21.7 tt0 73.98 -56.78 0.64 Allowed 'General case' 0 N--CA 1.532 3.67 0 CA-C-N 124.357 3.253 . . . . 0.0 108.702 -172.904 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 1.9 pp20? -49.04 -37.1 19.78 Favored 'General case' 0 N--CA 1.488 1.445 0 C-N-CA 127.072 2.149 . . . . 0.0 114.23 176.161 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 49.5 mt -64.02 -54.13 35.34 Favored 'Isoleucine or valine' 0 N--CA 1.498 1.948 0 CA-C-N 121.698 2.045 . . . . 0.0 109.125 175.614 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 4.3 mp -68.45 -41.74 79.84 Favored 'General case' 0 N--CA 1.492 1.63 0 N-CA-C 113.903 1.075 . . . . 0.0 113.903 179.71 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 34.8 ttpt -66.89 -45.82 76.83 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-O 116.58 -1.676 . . . . 0.0 112.15 175.647 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -67.48 -44.31 78.87 Favored 'General case' 0 N--CA 1.483 1.183 0 CA-C-N 122.307 2.321 . . . . 0.0 113.72 178.687 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.467 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 8.5 t80 -68.62 -43.15 76.96 Favored 'General case' 0 N--CA 1.49 1.542 0 CA-C-N 120.479 1.49 . . . . 0.0 112.39 177.285 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 21.2 mmmt -65.28 -36.27 83.57 Favored 'General case' 0 CA--C 1.571 1.771 0 CA-C-O 116.848 -1.548 . . . . 0.0 112.048 -179.405 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 2.8 pp -69.72 -33.02 71.91 Favored 'General case' 0 CA--C 1.58 2.109 0 CA-C-N 122.464 2.393 . . . . 0.0 111.772 172.477 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER -59.1 -46.08 89.23 Favored 'General case' 0 CA--C 1.56 1.359 0 C-N-CA 125.33 1.452 . . . . 0.0 114.185 174.834 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.2 p30 -75.08 66.65 1.66 Allowed 'General case' 0 CA--C 1.602 2.947 0 CA-C-N 119.978 1.263 . . . . 0.0 113.58 178.924 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 14.1 t0 -39.96 -24.46 0.02 OUTLIER 'General case' 0 N--CA 1.533 3.678 0 N-CA-C 116.121 1.897 . . . . 0.0 116.121 175.303 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -92.75 0.19 57.38 Favored 'General case' 0 CA--C 1.59 2.489 0 O-C-N 120.367 -1.458 . . . . 0.0 113.076 177.911 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 72.86 -7.55 1.44 Allowed 'General case' 0 N--CA 1.504 2.239 0 N-CA-C 117.518 2.414 . . . . 0.0 117.518 177.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 23.1 p -71.05 -24.37 62.33 Favored 'General case' 0 N--CA 1.489 1.518 0 O-C-N 119.369 -2.082 . . . . 0.0 115.33 -179.799 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 78.08 56.23 3.82 Favored Glycine 0 CA--C 1.54 1.656 0 N-CA-C 116.803 1.481 . . . . 0.0 116.803 179.773 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -153.0 109.94 3.47 Favored 'General case' 0 CA--C 1.568 1.658 0 N-CA-C 108.461 -0.94 . . . . 0.0 108.461 -179.274 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 2.3 mp -99.99 129.19 51.04 Favored 'Isoleucine or valine' 0 N--CA 1.511 2.58 0 CA-C-O 123.236 1.493 . . . . 0.0 109.596 179.505 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER -106.67 170.04 8.17 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 111.79 -2.459 . . . . 0.0 108.47 175.533 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 74.4 t80 -54.92 -38.1 67.23 Favored 'General case' 0 N--CA 1.508 2.451 0 N-CA-C 116.545 2.054 . . . . 0.0 116.545 179.432 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 70.8 tttt -65.18 -40.13 93.82 Favored 'General case' 0 CA--C 1.574 1.902 0 O-C-N 121.371 -0.831 . . . . 0.0 111.886 178.87 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -66.24 -34.76 78.74 Favored 'General case' 0 CA--C 1.583 2.219 0 CA-C-O 117.754 -1.117 . . . . 0.0 109.107 174.072 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 94.9 mt -54.03 -47.48 71.51 Favored 'General case' 0 N--CA 1.504 2.271 0 CA-C-N 121.06 1.754 . . . . 0.0 110.38 172.95 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 49.0 mtmt -56.65 -45.62 81.51 Favored 'General case' 0 CA--C 1.576 1.958 0 C-N-CA 124.575 1.15 . . . . 0.0 111.801 174.919 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 67.4 mtp180 -54.4 -52.27 62.24 Favored 'General case' 0 N--CA 1.508 2.47 0 CA-C-N 119.271 0.941 . . . . 0.0 112.126 175.404 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . 0.266 6.1 t -67.9 -36.07 74.38 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.363 0 C-N-CA 123.193 0.597 . . . . 0.0 110.837 178.386 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.414 ' HA ' ' SD ' ' A' ' 93' ' ' MET . . . -56.91 -45.15 82.84 Favored 'General case' 0 CA--C 1.573 1.853 0 CA-C-N 120.231 1.378 . . . . 0.0 113.216 175.451 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 1.2 mmmm -71.68 -47.46 54.04 Favored 'General case' 0 CA--C 1.58 2.103 0 CA-C-N 120.401 1.455 . . . . 0.0 112.508 174.274 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -51.35 -44.92 62.19 Favored 'General case' 0 N--CA 1.499 2.016 0 N-CA-C 118.053 2.612 . . . . 0.0 118.053 179.53 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -60.36 -41.13 93.04 Favored 'General case' 0 N--CA 1.492 1.641 0 N-CA-C 117.658 2.466 . . . . 0.0 117.658 179.759 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 175.79 -63.82 0.1 OUTLIER Glycine 0 CA--C 1.542 1.767 0 CA-C-N 112.173 -2.285 . . . . 0.0 111.174 178.769 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 1.9 tp10 -165.06 135.89 3.95 Favored 'General case' 0 N--CA 1.495 1.813 0 CA-C-N 120.714 2.257 . . . . 0.0 108.885 178.775 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 2.7 t30 -60.3 145.39 47.77 Favored 'General case' 0 CA--C 1.56 1.346 0 N-CA-C 114.791 1.404 . . . . 0.0 114.791 -179.323 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.7 tt -78.71 -93.29 0.03 OUTLIER 'General case' 0 CA--C 1.562 1.405 0 CA-C-N 115.044 -0.98 . . . . 0.0 108.381 179.593 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 1.2 m -157.86 143.71 17.26 Favored 'General case' 0 CA--C 1.554 1.132 0 CA-C-N 120.873 1.67 . . . . 0.0 106.94 176.236 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 18.8 p-10 -42.73 -50.3 5.57 Favored 'General case' 0 N--CA 1.493 1.71 0 N-CA-C 117.339 2.348 . . . . 0.0 117.339 179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -63.2 -41.71 99.2 Favored 'General case' 0 CA--C 1.574 1.881 0 C-N-CA 125.281 1.433 . . . . 0.0 113.708 177.878 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 6.6 mm-40 -61.89 -51.62 67.42 Favored 'General case' 0 N--CA 1.499 2.003 0 C-N-CA 124.799 1.24 . . . . 0.0 111.156 175.889 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 12.2 mt -57.03 -38.53 73.3 Favored 'General case' 0 CA--C 1.58 2.11 0 O-C-N 120.908 -1.12 . . . . 0.0 111.849 174.289 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . . . . . . . . . 33.1 tp60 -70.84 -38.6 73.2 Favored 'General case' 0 CA--C 1.568 1.659 0 CA-C-O 118.029 -0.986 . . . . 0.0 110.736 -179.934 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 24.1 mm-40 -58.68 -38.26 77.83 Favored 'General case' 0 CA--C 1.584 2.258 0 CA-C-N 120.077 1.308 . . . . 0.0 109.836 172.711 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -60.05 -45.3 93.29 Favored 'General case' 0 CA--C 1.578 2.032 0 C-N-CA 124.248 1.019 . . . . 0.0 110.624 173.265 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . . . . . . . . . 11.8 mm -58.64 -56.39 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.493 1.68 0 C-N-CA 124.871 1.268 . . . . 0.0 111.27 174.23 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -55.74 -38.64 70.06 Favored 'General case' 0 N--CA 1.497 1.886 0 N-CA-C 113.577 0.954 . . . . 0.0 113.577 -179.594 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -71.66 -47.43 54.37 Favored 'General case' 0 CA--C 1.59 2.498 0 CA-C-N 120.082 1.31 . . . . 0.0 110.885 172.952 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -60.23 -37.16 79.48 Favored 'General case' 0 CA--C 1.556 1.204 0 N-CA-C 117.401 2.371 . . . . 0.0 117.401 178.752 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.311 27.0 t70 -70.33 44.0 0.07 Allowed 'General case' 0 CA--C 1.604 3.023 0 CA-C-N 120.66 1.573 . . . . 0.0 113.308 178.315 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 4.1 tpp180 -39.91 -50.01 2.46 Favored 'General case' 0 N--CA 1.493 1.719 0 N-CA-C 120.284 3.439 . . . . 0.0 120.284 -171.758 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 2.0 m-20 -137.5 55.73 1.79 Allowed 'General case' 0 CA--C 1.575 1.904 0 N-CA-C 105.4 -2.074 . . . . 0.0 105.4 175.426 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -128.46 -141.28 5.17 Favored Glycine 0 CA--C 1.567 3.32 0 CA-C-N 121.681 2.037 . . . . 0.0 114.731 -178.612 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 4.9 p-10 -129.47 16.95 5.95 Favored 'General case' 0 CA--C 1.593 2.6 0 C-N-CA 125.69 1.596 . . . . 0.0 114.911 -177.247 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 114.31 19.31 6.31 Favored Glycine 0 CA--C 1.568 3.355 0 O-C-N 119.526 -1.984 . . . . 0.0 113.64 -175.528 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.1 OUTLIER -157.24 163.39 38.83 Favored 'General case' 0 CA--C 1.58 2.125 0 C-N-CA 125.979 1.712 . . . . 0.0 107.883 -177.773 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.5 t -99.89 116.2 42.65 Favored 'Isoleucine or valine' 0 N--CA 1.505 2.282 0 O-C-N 119.095 -2.253 . . . . 0.0 107.349 -176.706 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 4.2 t -100.75 171.81 7.46 Favored 'General case' 0 CA--C 1.56 1.358 0 CA-C-O 122.849 1.309 . . . . 0.0 114.246 -178.466 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -47.19 -46.21 23.71 Favored 'General case' 0 N--CA 1.494 1.771 0 C-N-CA 125.304 1.442 . . . . 0.0 114.504 176.076 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -61.0 -42.87 99.28 Favored 'General case' 0 N--CA 1.488 1.453 0 O-C-N 120.214 -1.554 . . . . 0.0 114.783 177.981 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.256 2.0 tp10 -72.19 -34.54 68.49 Favored 'General case' 0 CA--C 1.591 2.531 0 CA-C-N 120.418 1.463 . . . . 0.0 110.42 174.441 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.467 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 4.0 t80 -57.4 -50.6 72.46 Favored 'General case' 0 C--N 1.361 1.07 0 CA-C-N 120.626 1.557 . . . . 0.0 113.397 176.665 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -80.08 -55.59 4.83 Favored 'General case' 0 CA--C 1.57 1.719 0 CA-C-O 119.146 -0.454 . . . . 0.0 112.126 179.893 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.445 ' O ' HG22 ' A' ' 165' ' ' ILE . 16.4 mmp_? -80.27 -60.0 2.49 Favored 'General case' 0 N--CA 1.497 1.907 0 N-CA-C 118.019 2.6 . . . . 0.0 118.019 -179.984 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . 0.445 HG22 ' O ' ' A' ' 164' ' ' ARG 0.261 7.2 tp . . . . . 0 N--CA 1.511 2.607 1 C-N-CA 131.874 4.07 . . . . 0.0 112.773 -177.462 . . . . . . . . 3 2 . 1 . 023 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 0.2 OUTLIER . . . . . 0 N--CA 1.514 2.726 0 N-CA-C 117.184 2.29 . . . . 0.0 117.184 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -50.69 -37.02 33.38 Favored Glycine 0 N--CA 1.495 2.585 0 N-CA-C 116.999 1.56 . . . . 0.0 116.999 177.42 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 2.1 t70 -64.04 -42.27 97.13 Favored 'General case' 0 CA--C 1.579 2.088 0 CA-C-O 118.583 -0.723 . . . . 0.0 111.668 175.915 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 34.1 t80 -62.39 -45.84 91.31 Favored 'General case' 0 CA--C 1.589 2.48 0 CA-C-N 120.926 1.694 . . . . 0.0 107.352 172.923 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . 0.52 HD23 ' HB2' ' A' ' 109' ' ' ALA . 0.1 OUTLIER -50.24 -55.63 14.51 Favored 'General case' 0 N--CA 1.509 2.511 0 CA-C-N 120.378 1.445 . . . . 0.0 113.999 174.663 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 8.0 m -55.3 -46.54 76.23 Favored 'General case' 0 N--CA 1.503 2.2 0 N-CA-C 112.976 0.732 . . . . 0.0 112.976 178.328 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 55.9 t -63.98 -45.09 97.74 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.365 0 C-N-CA 123.567 0.747 . . . . 0.0 110.639 175.497 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . . . . . . . . . 31.9 ttp -56.42 -46.62 80.13 Favored 'General case' 0 N--CA 1.494 1.731 0 C-N-CA 124.835 1.254 . . . . 0.0 113.032 176.487 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 36.6 p -74.13 -49.41 23.9 Favored 'General case' 0 N--CA 1.499 1.992 0 CA-C-O 117.369 -1.301 . . . . 0.0 109.93 176.985 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.0 tp60 -47.79 -32.9 6.53 Favored 'General case' 0 N--CA 1.502 2.14 0 N-CA-C 116.138 1.903 . . . . 0.0 116.138 177.272 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 5.3 tptp -52.86 -34.99 56.92 Favored 'General case' 0 CA--C 1.583 2.246 0 N-CA-C 114.538 1.31 . . . . 0.0 114.538 175.241 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 27.5 ttt -113.23 -47.28 3.03 Favored 'General case' 0 CA--C 1.577 1.986 0 C-N-CA 125.267 1.427 . . . . 0.0 111.303 176.944 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 58.8 m -164.84 125.01 1.95 Allowed 'General case' 0 N--CA 1.493 1.694 0 O-C-N 120.349 -1.469 . . . . 0.0 108.223 179.032 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -62.23 152.46 33.32 Favored 'General case' 0 N--CA 1.497 1.895 0 N-CA-C 116.259 1.948 . . . . 0.0 116.259 -178.396 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 3.7 tptp -105.29 -175.87 2.92 Favored 'General case' 0 CA--C 1.571 1.784 0 N-CA-C 115.718 1.748 . . . . 0.0 115.718 -178.813 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -75.45 -111.59 0.01 OUTLIER 'General case' 0 CA--C 1.58 2.101 0 C-N-CA 125.519 1.528 . . . . 0.0 113.898 -176.956 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 3.5 t -178.42 133.54 0.14 Allowed 'General case' 0 N--CA 1.502 2.142 0 C-N-CA 125.864 1.665 . . . . 0.0 106.935 -179.661 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . 0.287 0.0 OUTLIER 56.72 155.8 0.01 OUTLIER 'General case' 0 N--CA 1.513 2.72 0 C-N-CA 126.014 1.726 . . . . 0.0 114.371 -177.603 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.1 mp0 65.38 -32.14 0.15 Allowed 'General case' 0 N--CA 1.527 3.403 0 O-C-N 119.276 -2.14 . . . . 0.0 112.765 -170.389 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 40.6 mm-40 -69.14 -30.45 68.71 Favored 'General case' 0 CA--C 1.568 1.638 0 CA-C-N 121.616 2.007 . . . . 0.0 112.476 175.78 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER -53.82 -37.2 32.12 Favored 'Isoleucine or valine' 0 N--CA 1.507 2.408 0 CA-C-N 119.665 1.121 . . . . 0.0 111.434 173.559 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.461 HD13 ' CZ ' ' A' ' 162' ' ' PHE . 1.0 OUTLIER -62.87 -46.42 87.96 Favored 'General case' 0 N--CA 1.482 1.135 0 N-CA-C 113.829 1.048 . . . . 0.0 113.829 177.031 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 7.3 mptt -67.1 -40.65 86.95 Favored 'General case' 0 N--CA 1.494 1.727 0 CA-C-N 119.336 0.971 . . . . 0.0 112.596 176.344 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . 0.52 ' HB2' HD23 ' A' ' 90' ' ' LEU . . . -63.2 -54.87 30.71 Favored 'General case' 0 CA--C 1.552 1.032 0 CA-C-O 117.358 -1.306 . . . . 0.0 113.023 177.389 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.554 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 3.2 t80 -62.84 -45.63 91.7 Favored 'General case' 0 N--CA 1.496 1.875 0 CA-C-N 121.032 1.742 . . . . 0.0 112.141 178.257 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 10.3 mmtt -64.49 -30.02 71.06 Favored 'General case' 0 CA--C 1.587 2.371 0 CA-C-N 120.481 1.491 . . . . 0.0 111.726 179.754 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 50.7 mt -79.76 -19.98 47.41 Favored 'General case' 0 CA--C 1.58 2.116 0 CA-C-N 122.382 2.355 . . . . 0.0 111.931 172.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.3 m-85 -62.17 -44.46 96.56 Favored 'General case' 0 N--CA 1.492 1.647 0 CA-C-N 122.625 2.466 . . . . 0.0 110.792 171.234 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 9.7 m-20 -71.87 76.76 0.89 Allowed 'General case' 0 CA--C 1.581 2.173 0 N-CA-C 114.609 1.337 . . . . 0.0 114.609 -178.295 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -50.86 -10.09 0.06 Allowed 'General case' 0 CA--C 1.617 3.528 0 O-C-N 119.773 -1.829 . . . . 0.0 115.472 172.636 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.8 t70 -104.66 -18.76 14.18 Favored 'General case' 0 CA--C 1.584 2.288 0 C-N-CA 126.57 1.948 . . . . 0.0 111.583 177.269 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 5.6 tp10 81.18 -5.25 1.65 Allowed 'General case' 0 CA--C 1.589 2.445 0 CA-C-N 121.796 2.089 . . . . 0.0 114.835 -179.328 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 10.1 t -64.89 -21.83 66.88 Favored 'General case' 0 CA--C 1.572 1.805 0 O-C-N 119.732 -1.855 . . . . 0.0 115.032 179.16 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 70.56 57.35 6.67 Favored Glycine 0 C--N 1.353 1.482 0 N-CA-C 118.784 2.274 . . . . 0.0 118.784 177.788 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -148.95 110.62 4.51 Favored 'General case' 0 N--CA 1.486 1.365 0 N-CA-C 107.422 -1.325 . . . . 0.0 107.422 178.17 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . 0.25 0.5 OUTLIER -99.94 118.58 46.8 Favored 'Isoleucine or valine' 0 N--CA 1.488 1.451 0 CA-C-O 123.908 1.813 . . . . 0.0 106.937 178.978 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 76.2 p -100.01 162.2 13.13 Favored 'General case' 0 CA--C 1.574 1.875 0 CA-C-N 111.212 -2.722 . . . . 0.0 106.438 174.981 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 12.9 t80 -52.25 -35.87 50.96 Favored 'General case' 0 CA--C 1.583 2.226 0 N-CA-C 116.189 1.922 . . . . 0.0 116.189 -179.477 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 45.5 mmtt -63.06 -39.06 93.6 Favored 'General case' 0 CA--C 1.571 1.754 0 CA-C-O 117.329 -1.319 . . . . 0.0 113.874 178.061 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . 0.26 0.4 OUTLIER -72.08 -29.65 64.33 Favored 'General case' 0 N--CA 1.513 2.695 0 CA-C-N 121.623 2.011 . . . . 0.0 110.103 176.161 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 12.0 mt -57.47 -42.34 82.4 Favored 'General case' 0 N--CA 1.514 2.763 0 CA-C-N 121.56 1.982 . . . . 0.0 110.175 169.953 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 18.2 mtpp -60.14 -45.94 91.32 Favored 'General case' 0 N--CA 1.501 2.113 0 C-N-CA 124.135 0.974 . . . . 0.0 111.505 174.468 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 5.5 mmm-85 -50.74 -60.11 3.39 Favored 'General case' 0 N--CA 1.499 2.02 0 C-N-CA 123.717 0.807 . . . . 0.0 111.423 174.954 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . . . . . . . . . 34.3 m -62.88 -41.27 91.99 Favored 'Isoleucine or valine' 0 CA--C 1.562 1.422 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 -179.13 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -56.52 -50.51 71.62 Favored 'General case' 0 CA--C 1.567 1.601 0 N-CA-C 113.995 1.109 . . . . 0.0 113.995 177.617 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -77.21 -37.05 54.2 Favored 'General case' 0 CA--C 1.577 2.015 0 CA-C-O 118.624 -0.703 . . . . 0.0 111.929 174.803 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 27.3 tt0 -66.98 -25.73 66.46 Favored 'General case' 0 N--CA 1.497 1.899 0 N-CA-C 114.542 1.312 . . . . 0.0 114.542 176.421 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . . . . . . . . . 10.8 mt -60.78 -61.69 2.4 Favored 'General case' 0 CA--C 1.574 1.872 0 CA-C-N 119.746 1.157 . . . . 0.0 113.712 176.281 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 154.33 35.96 0.03 OUTLIER Glycine 0 CA--C 1.552 2.385 0 C-N-CA 124.65 1.119 . . . . 0.0 114.975 179.766 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER 68.84 122.09 0.03 OUTLIER 'General case' 0 N--CA 1.492 1.653 0 C-N-CA 126.205 1.802 . . . . 0.0 113.145 -178.731 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -166.75 -50.13 0.03 OUTLIER 'General case' 0 N--CA 1.497 1.889 0 N-CA-C 113.583 0.957 . . . . 0.0 113.583 -178.549 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 1.3 pt? -129.19 169.23 15.05 Favored 'General case' 0 N--CA 1.498 1.974 0 CA-C-N 120.295 1.407 . . . . 0.0 113.303 -179.63 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 13.4 t -110.17 162.38 14.64 Favored 'General case' 0 N--CA 1.491 1.596 0 N-CA-C 114.25 1.204 . . . . 0.0 114.25 -176.004 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -43.3 -51.25 6.37 Favored 'General case' 0 CA--C 1.57 1.726 0 N-CA-C 117.606 2.447 . . . . 0.0 117.606 179.375 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.5 mm-40 -61.6 -46.83 88.16 Favored 'General case' 0 CA--C 1.578 2.048 0 CA-C-N 113.785 -1.552 . . . . 0.0 113.041 178.129 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . 0.263 8.1 tp10 -57.25 -48.72 78.13 Favored 'General case' 0 CA--C 1.591 2.537 0 C-N-CA 124.539 1.136 . . . . 0.0 111.562 175.744 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 30.4 mt -56.41 -40.77 75.22 Favored 'General case' 0 CA--C 1.577 2.0 0 O-C-N 119.769 -1.832 . . . . 0.0 111.672 172.903 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.451 HE22 HG21 ' A' ' 146' ' ' ILE . 0.5 OUTLIER -62.91 -39.35 94.29 Favored 'General case' 0 CA--C 1.57 1.715 0 CA-C-O 117.008 -1.473 . . . . 0.0 111.009 177.78 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 10.4 pt-20 -63.38 -32.7 74.2 Favored 'General case' 0 CA--C 1.593 2.598 0 CA-C-N 121.834 2.106 . . . . 0.0 110.722 173.23 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 1.1 mpt? -64.44 -34.46 78.25 Favored 'General case' 0 CA--C 1.589 2.473 0 O-C-N 120.627 -1.295 . . . . 0.0 111.609 172.23 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.451 HG21 HE22 ' A' ' 143' ' ' GLN . 2.2 mm -60.33 -58.03 9.17 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.769 0 O-C-N 119.861 -1.775 . . . . 0.0 108.775 173.419 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -54.61 -35.41 63.36 Favored 'General case' 0 N--CA 1.503 2.19 0 CA-C-O 117.866 -1.064 . . . . 0.0 113.252 179.652 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -67.66 -38.15 83.37 Favored 'General case' 0 N--CA 1.513 2.697 0 CA-C-N 121.637 2.017 . . . . 0.0 112.039 172.988 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -80.0 -28.02 39.52 Favored 'General case' 0 CA--C 1.586 2.334 0 N-CA-C 120.411 3.486 . . . . 0.0 120.411 177.418 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -65.62 41.71 0.02 OUTLIER 'General case' 0 CA--C 1.596 2.743 0 N-CA-C 120.261 3.43 . . . . 0.0 120.261 -176.013 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -60.25 -22.98 63.72 Favored 'General case' 0 N--CA 1.498 1.947 0 N-CA-C 121.608 3.929 . . . . 0.0 121.608 -174.624 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 6.5 t70 -67.94 -29.04 68.01 Favored 'General case' 0 CA--C 1.596 2.727 0 CA-C-N 120.347 1.43 . . . . 0.0 110.922 172.909 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 109.3 18.25 9.33 Favored Glycine 0 N--CA 1.491 2.343 0 N-CA-C 122.466 3.746 . . . . 0.0 122.466 176.28 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 9.5 t70 -123.94 9.52 8.78 Favored 'General case' 0 CA--C 1.586 2.355 0 CA-C-N 119.827 1.813 . . . . 0.0 112.759 178.587 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 84.19 22.29 54.96 Favored Glycine 0 N--CA 1.505 3.258 0 CA-C-N 123.651 2.932 . . . . 0.0 118.31 -178.693 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -148.06 150.39 33.82 Favored 'General case' 0 CA--C 1.569 1.698 0 CA-C-N 119.314 1.557 . . . . 0.0 108.746 178.056 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.3 t -99.89 117.98 45.86 Favored 'Isoleucine or valine' 0 N--CA 1.497 1.916 0 O-C-N 121.116 -0.99 . . . . 0.0 110.561 -175.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . 0.476 ' H ' ' CG ' ' A' ' 161' ' ' GLU . 1.2 m -99.86 169.63 9.09 Favored 'General case' 0 CA--C 1.563 1.455 0 C-N-CA 125.146 1.378 . . . . 0.0 111.702 -179.134 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.99 -49.98 65.08 Favored 'General case' 0 N--CA 1.504 2.247 0 CA-C-O 116.177 -1.868 . . . . 0.0 113.554 178.655 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . 0.422 ' HA ' ' CD2' ' A' ' 163' ' ' LEU . 2.2 mp0 -59.53 -41.94 91.17 Favored 'General case' 0 CA--C 1.571 1.759 0 CA-C-N 122.797 2.544 . . . . 0.0 113.757 176.468 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . 0.476 ' CG ' ' H ' ' A' ' 158' ' ' SER . 6.6 pt-20 -72.44 -19.8 61.51 Favored 'General case' 0 CA--C 1.587 2.401 0 CA-C-N 120.696 1.589 . . . . 0.0 112.948 174.989 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.554 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.7 OUTLIER -69.14 -59.98 2.66 Favored 'General case' 0 CA--C 1.566 1.577 0 O-C-N 119.38 -2.075 . . . . 0.0 109.813 174.3 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.422 ' CD2' ' HA ' ' A' ' 160' ' ' GLN . 0.0 OUTLIER -80.14 -51.58 8.81 Favored 'General case' 0 CA--C 1.58 2.118 0 N-CA-C 116.608 2.077 . . . . 0.0 116.608 178.743 . . . . . . . . 3 3 . 1 . 023 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 15.0 mtm-85 -80.18 -19.81 46.22 Favored 'General case' 0 N--CA 1.494 1.769 0 N-CA-C 120.824 3.639 . . . . 0.0 120.824 -176.224 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . . 0.1 OUTLIER . . . . . 0 N--CA 1.498 1.969 0 CA-C-N 124.777 3.444 . . . . 0.0 116.817 179.598 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 . . . . . 0 CA--C 1.627 3.918 1 N-CA-C 96.404 -5.406 . . . . 0.0 96.404 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -39.87 -40.53 1.66 Allowed Glycine 1 C--N 1.407 4.49 0 CA-C-N 124.969 3.531 . . . . 0.0 118.161 -175.587 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 9.0 m-20 -67.72 -49.8 60.75 Favored 'General case' 0 CA--C 1.582 2.209 0 CA-C-N 111.664 -2.268 . . . . 0.0 109.462 174.644 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -60.81 -38.93 87.09 Favored 'General case' 0 N--CA 1.518 2.97 0 CA-C-N 123.173 2.715 . . . . 0.0 110.622 173.16 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 7.1 tt -59.35 -59.08 6.02 Favored 'General case' 0 N--CA 1.484 1.271 0 O-C-N 119.584 -1.948 . . . . 0.0 111.763 176.37 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 5.1 m -53.82 -39.54 65.63 Favored 'General case' 0 N--CA 1.501 2.099 0 N-CA-C 113.914 1.079 . . . . 0.0 113.914 177.134 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.4 OUTLIER -59.89 -46.84 93.4 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.385 0 C-N-CA 124.63 1.172 . . . . 0.0 111.695 176.566 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.43 ' HB3' ' HB3' ' A' ' 133' ' ' LEU . 0.0 OUTLIER -80.05 -44.27 20.38 Favored 'General case' 0 CA--C 1.592 2.577 0 CA-C-N 119.616 1.098 . . . . 0.0 113.879 175.466 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 59.6 p -59.11 -24.59 63.1 Favored 'General case' 0 N--CA 1.506 2.349 0 C-N-CA 127.004 2.122 . . . . 0.0 114.794 179.156 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 20.6 pt20 -46.85 -29.07 1.79 Allowed 'General case' 0 CA--C 1.586 2.328 0 CA-C-N 121.75 2.068 . . . . 0.0 114.769 174.525 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 23.3 mmtp -92.14 -2.46 56.57 Favored 'General case' 0 CA--C 1.585 2.326 0 N-CA-C 115.084 1.512 . . . . 0.0 115.084 175.163 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 26.3 mmt -127.65 -34.49 2.2 Favored 'General case' 0 N--CA 1.5 2.051 0 N-CA-C 115.097 1.518 . . . . 0.0 115.097 -179.745 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 32.5 t 71.79 68.7 0.15 Allowed 'General case' 0 N--CA 1.499 1.988 0 C-N-CA 126.137 1.775 . . . . 0.0 115.325 -179.972 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 40.5 mm-40 -82.36 175.98 9.81 Favored 'General case' 0 CA--C 1.574 1.879 0 N-CA-C 114.959 1.466 . . . . 0.0 114.959 179.082 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -130.53 -173.15 2.99 Favored 'General case' 0 CA--C 1.581 2.138 0 N-CA-C 114.425 1.268 . . . . 0.0 114.425 -175.083 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . . . . . . . . . 10.5 t0 77.56 164.71 0.23 Allowed 'General case' 0 CA--C 1.579 2.087 0 N-CA-C 117.061 2.245 . . . . 0.0 117.061 177.211 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . . . . . . . . . 4.8 t -161.4 114.12 1.87 Allowed 'General case' 0 N--CA 1.499 1.993 0 N-CA-C 104.191 -2.522 . . . . 0.0 104.191 179.359 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 91.12 157.1 0.04 OUTLIER 'General case' 0 N--CA 1.524 3.27 0 C-N-CA 126.818 2.047 . . . . 0.0 108.341 -172.929 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 3.8 mm-40 68.55 -53.0 0.55 Allowed 'General case' 1 N--CA 1.546 4.363 1 CA-C-N 126.13 4.059 . . . . 0.0 110.38 -173.137 . . . . . . . . 3 2 . 1 . 024 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . 0.323 2.6 tt0 -39.97 -50.32 2.52 Favored 'General case' 0 N--CA 1.485 1.284 0 C-N-CA 131.664 3.985 . . . . 0.0 111.137 171.605 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 5.0 tt -63.47 -45.09 98.8 Favored 'Isoleucine or valine' 0 N--CA 1.504 2.263 0 CA-C-N 119.426 1.012 . . . . 0.0 112.837 177.654 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . . . . . . . . . 1.6 mm? -68.28 -45.95 71.7 Favored 'General case' 0 N--CA 1.489 1.51 0 N-CA-C 113.398 0.888 . . . . 0.0 113.398 178.029 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 45.7 mmtm -66.14 -48.3 71.25 Favored 'General case' 0 CA--C 1.559 1.293 0 CA-C-O 117.325 -1.322 . . . . 0.0 112.255 176.556 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -66.76 -38.88 87.48 Favored 'General case' 0 N--CA 1.484 1.259 0 CA-C-N 121.245 1.839 . . . . 0.0 114.433 179.083 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.461 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 6.8 t80 -68.52 -45.74 71.45 Favored 'General case' 0 N--CA 1.483 1.212 0 CA-C-O 116.93 -1.51 . . . . 0.0 111.428 175.986 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . . 12.3 tptp -63.48 -33.8 76.37 Favored 'General case' 0 CA--C 1.58 2.124 0 CA-C-N 120.384 1.447 . . . . 0.0 112.264 -178.447 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 3.0 pp -76.33 -22.66 54.65 Favored 'General case' 0 CA--C 1.569 1.703 0 CA-C-N 121.247 1.839 . . . . 0.0 112.582 172.33 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . 0.555 ' CE1' HG21 ' A' ' 129' ' ' VAL . 13.7 m-85 -62.34 -52.77 62.32 Favored 'General case' 0 CA--C 1.567 1.62 0 CA-C-N 121.232 1.833 . . . . 0.0 109.967 172.369 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -68.51 71.42 0.19 Allowed 'General case' 0 CA--C 1.591 2.552 0 N-CA-C 115.975 1.843 . . . . 0.0 115.975 -176.301 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . 0.435 ' CG ' HH21 ' A' ' 128' ' ' ARG . 66.0 m-20 -40.03 -16.12 0.01 OUTLIER 'General case' 0 N--CA 1.515 2.82 0 N-CA-C 119.095 2.998 . . . . 0.0 119.095 174.646 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -101.32 -2.9 29.91 Favored 'General case' 0 CA--C 1.589 2.475 0 CA-C-N 120.45 1.477 . . . . 0.0 112.292 177.62 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 73.55 -6.16 1.83 Allowed 'General case' 0 CA--C 1.586 2.359 0 N-CA-C 116.997 2.221 . . . . 0.0 116.997 178.51 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 22.6 p -72.16 -28.51 63.28 Favored 'General case' 0 N--CA 1.492 1.641 0 O-C-N 119.24 -2.163 . . . . 0.0 114.268 179.367 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 83.81 55.18 2.88 Favored Glycine 0 CA--C 1.541 1.706 0 N-CA-C 117.08 1.592 . . . . 0.0 117.08 179.74 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 1.9 mptt -146.15 109.92 4.87 Favored 'General case' 0 CA--C 1.561 1.404 0 N-CA-C 108.801 -0.815 . . . . 0.0 108.801 179.327 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 3.3 mp -102.07 119.09 49.88 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.837 0 CA-C-O 124.032 1.873 . . . . 0.0 108.218 178.042 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 33.2 p -99.97 165.93 11.3 Favored 'General case' 0 CA--C 1.596 2.715 0 CA-C-N 111.152 -2.749 . . . . 0.0 104.951 172.243 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 40.5 t80 -49.05 -40.7 32.39 Favored 'General case' 0 N--CA 1.511 2.603 0 N-CA-C 117.268 2.322 . . . . 0.0 117.268 -179.888 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 1.7 tmtp? -59.29 -42.82 92.17 Favored 'General case' 0 N--CA 1.505 2.295 0 N-CA-C 114.096 1.147 . . . . 0.0 114.096 178.466 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 23.3 t-20 -66.13 -36.8 84.1 Favored 'General case' 0 N--CA 1.508 2.439 0 CA-C-O 117.069 -1.443 . . . . 0.0 109.16 174.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . 0.469 ' HA ' HG23 ' A' ' 129' ' ' VAL . 49.7 mt -55.72 -39.43 71.08 Favored 'General case' 0 CA--C 1.592 2.591 0 CA-C-N 121.997 2.181 . . . . 0.0 110.4 173.55 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 65.1 mttt -57.64 -48.72 78.67 Favored 'General case' 0 N--CA 1.5 2.069 0 C-N-CA 125.563 1.545 . . . . 0.0 110.621 172.966 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . 0.435 HH21 ' CG ' ' A' ' 115' ' ' ASP . 2.6 ppt_? -57.16 -44.0 83.07 Favored 'General case' 0 N--CA 1.517 2.881 0 CA-C-N 120.175 1.352 . . . . 0.0 112.855 175.832 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.555 HG21 ' CE1' ' A' ' 113' ' ' PHE . 0.0 OUTLIER -67.78 -43.54 86.26 Favored 'Isoleucine or valine' 0 CA--C 1.564 1.502 0 N-CA-C 112.16 0.43 . . . . 0.0 112.16 178.377 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -48.48 -47.16 38.78 Favored 'General case' 0 CA--C 1.562 1.415 0 C-N-CA 125.05 1.34 . . . . 0.0 113.5 176.222 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 13.6 pttp -75.15 -34.29 61.61 Favored 'General case' 0 CA--C 1.589 2.47 0 N-CA-C 113.254 0.835 . . . . 0.0 113.254 173.823 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -75.5 -29.87 59.67 Favored 'General case' 0 CA--C 1.572 1.79 0 N-CA-C 119.1 3.0 . . . . 0.0 119.1 179.41 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.43 ' HB3' ' HB3' ' A' ' 93' ' ' MET . 37.7 mt -64.69 -75.31 0.09 Allowed 'General case' 0 CA--C 1.562 1.421 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -178.728 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . -166.91 -41.54 0.02 OUTLIER Glycine 0 N--CA 1.492 2.417 0 N-CA-C 118.738 2.255 . . . . 0.0 118.738 -179.114 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 5.0 tp10 -128.16 119.85 26.11 Favored 'General case' 0 N--CA 1.492 1.65 0 CA-C-N 119.552 1.676 . . . . 0.0 108.415 -179.635 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 16.4 t-20 -90.03 109.07 20.14 Favored 'General case' 0 N--CA 1.49 1.574 0 O-C-N 121.21 -0.931 . . . . 0.0 111.369 179.882 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -87.16 -116.78 0.04 OUTLIER 'General case' 0 N--CA 1.492 1.634 0 C-N-CA 122.869 0.468 . . . . 0.0 111.088 179.805 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.8 t -150.06 163.2 38.79 Favored 'General case' 0 CA--C 1.551 0.992 0 CA-C-O 125.683 2.659 . . . . 0.0 110.124 179.655 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 12.9 p-10 -44.67 -49.16 10.52 Favored 'General case' 0 CA--C 1.569 1.704 0 CA-C-N 110.377 -3.101 . . . . 0.0 117.249 177.573 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.7 pt-20 -62.88 -43.41 98.86 Favored 'General case' 0 CA--C 1.574 1.878 0 C-N-CA 125.761 1.625 . . . . 0.0 113.144 178.172 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -56.05 -54.8 40.64 Favored 'General case' 0 N--CA 1.505 2.291 0 C-N-CA 124.192 0.997 . . . . 0.0 110.779 174.119 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.3 mt -59.55 -35.09 73.54 Favored 'General case' 0 CA--C 1.574 1.873 0 O-C-N 120.886 -1.134 . . . . 0.0 113.282 175.973 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.458 HE22 HG21 ' A' ' 146' ' ' ILE . 0.6 OUTLIER -68.36 -38.75 81.74 Favored 'General case' 0 CA--C 1.561 1.396 0 CA-C-O 117.002 -1.475 . . . . 0.0 111.187 178.953 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 34.1 tt0 -63.77 -35.77 81.7 Favored 'General case' 0 CA--C 1.586 2.328 0 CA-C-N 121.246 1.839 . . . . 0.0 109.456 172.623 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 78.2 mmm -59.98 -39.62 86.31 Favored 'General case' 0 CA--C 1.588 2.417 0 O-C-N 120.091 -1.631 . . . . 0.0 110.965 173.144 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.458 HG21 HE22 ' A' ' 143' ' ' GLN . 3.2 mm -60.43 -55.93 21.08 Favored 'Isoleucine or valine' 0 N--CA 1.494 1.747 0 C-N-CA 124.453 1.101 . . . . 0.0 109.18 172.175 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -48.3 -41.21 27.45 Favored 'General case' 0 CA--C 1.564 1.51 0 N-CA-C 116.109 1.892 . . . . 0.0 116.109 -179.545 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 2.3 pt-20 -73.41 -45.59 53.72 Favored 'General case' 0 CA--C 1.587 2.384 0 N-CA-C 111.442 0.164 . . . . 0.0 111.442 174.536 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -64.28 -37.65 88.24 Favored 'General case' 0 CA--C 1.571 1.765 0 N-CA-C 117.78 2.511 . . . . 0.0 117.78 177.932 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . 0.31 32.7 t70 -77.52 44.44 0.44 Allowed 'General case' 0 CA--C 1.583 2.22 0 C-N-CA 126.075 1.75 . . . . 0.0 115.133 -178.737 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -41.09 -50.02 3.43 Favored 'General case' 0 N--CA 1.502 2.142 0 N-CA-C 119.241 3.052 . . . . 0.0 119.241 -175.362 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 9.4 m-20 -127.11 46.25 2.55 Favored 'General case' 0 CA--C 1.588 2.409 0 N-CA-C 107.241 -1.392 . . . . 0.0 107.241 175.799 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . -118.95 -32.84 1.22 Allowed Glycine 0 N--CA 1.497 2.706 0 N-CA-C 123.015 3.966 . . . . 0.0 123.015 -176.926 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 16.1 t70 79.71 -13.73 0.92 Allowed 'General case' 0 CA--C 1.598 2.816 0 CA-C-N 120.02 1.91 . . . . 0.0 113.594 -176.629 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 172.36 9.1 0.02 OUTLIER Glycine 0 CA--C 1.559 2.84 0 N-CA-C 118.689 2.236 . . . . 0.0 118.689 179.214 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -160.05 148.9 17.34 Favored 'General case' 0 CA--C 1.57 1.714 0 CA-C-N 120.333 2.067 . . . . 0.0 111.838 -179.438 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 3.4 t -99.84 112.05 31.2 Favored 'Isoleucine or valine' 0 N--CA 1.496 1.829 0 N-CA-C 104.187 -2.523 . . . . 0.0 104.187 -179.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 83.8 p -99.91 173.84 6.48 Favored 'General case' 0 CA--C 1.56 1.357 0 CA-C-O 122.159 0.98 . . . . 0.0 113.386 -178.103 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -47.28 -49.19 24.23 Favored 'General case' 0 N--CA 1.501 2.118 0 N-CA-C 114.934 1.457 . . . . 0.0 114.934 179.481 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 9.9 pt20 -61.97 -42.58 99.29 Favored 'General case' 0 N--CA 1.486 1.346 0 CA-C-O 116.749 -1.596 . . . . 0.0 114.788 177.739 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . 0.321 6.4 tp10 -72.81 -25.35 61.11 Favored 'General case' 0 CA--C 1.589 2.477 0 CA-C-N 122.147 2.249 . . . . 0.0 112.522 175.842 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.461 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.6 OUTLIER -63.85 -59.22 4.81 Favored 'General case' 0 CA--C 1.554 1.105 0 O-C-N 119.676 -1.89 . . . . 0.0 110.915 175.263 . . . . . . . . 3 3 . 1 . 024 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.409 ' H ' ' HG ' ' A' ' 163' ' ' LEU 0.262 0.3 OUTLIER -80.18 -47.6 14.44 Favored 'General case' 0 CA--C 1.575 1.936 0 CA-C-O 117.406 -1.283 . . . . 0.0 113.366 -179.868 . . . . . . . . 4 4 . 1 . 024 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -80.04 -19.91 46.51 Favored 'General case' 0 N--CA 1.505 2.314 0 CA-C-N 122.439 2.381 . . . . 0.0 117.276 177.751 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.253 6.7 tp . . . . . 0 N--CA 1.512 2.633 0 CA-C-N 122.582 2.446 . . . . 0.0 117.526 -178.705 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 74.6 m-85 . . . . . 0 N--CA 1.51 2.527 0 N-CA-C 119.987 3.328 . . . . 0.0 119.987 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 87' ' ' GLY . . . . . . . . . . . . . . . -44.98 -47.1 9.59 Favored Glycine 0 N--CA 1.495 2.583 0 N-CA-C 116.605 1.402 . . . . 0.0 116.605 179.234 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 88' ' ' ASP . . . . . . . . . . . . . 49.8 p-10 -62.81 -55.09 29.51 Favored 'General case' 0 CA--C 1.569 1.705 0 CA-C-O 117.431 -1.271 . . . . 0.0 112.193 176.203 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 89' ' ' PHE . . . . . . . . . . . . . 4.9 t80 -52.44 -46.73 66.56 Favored 'General case' 0 N--CA 1.512 2.641 0 CA-C-N 120.363 1.438 . . . . 0.0 111.309 175.463 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 90' ' ' LEU . . . . . . . . . . . . . 9.0 tt -58.24 -56.01 27.57 Favored 'General case' 0 CA--C 1.564 1.497 0 C-N-CA 124.627 1.171 . . . . 0.0 112.984 175.171 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 91' ' ' THR . . . . . . . . . . . . . 9.2 m -55.02 -39.17 68.83 Favored 'General case' 0 N--CA 1.501 2.094 0 C-N-CA 124.714 1.206 . . . . 0.0 112.813 176.092 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 92' ' ' VAL . . . . . . . . . . . . . 0.5 OUTLIER -60.35 -44.86 96.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.039 0 C-N-CA 123.954 0.902 . . . . 0.0 112.447 176.869 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 93' ' ' MET . . . . . 0.466 ' HG2' HD23 ' A' ' 133' ' ' LEU . 5.5 mmt -80.06 -44.64 19.71 Favored 'General case' 0 CA--C 1.578 2.024 0 N-CA-C 113.54 0.941 . . . . 0.0 113.54 175.85 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 94' ' ' THR . . . . . . . . . . . . . 19.4 p -79.99 -60.01 2.5 Favored 'General case' 0 N--CA 1.502 2.127 0 N-CA-C 115.079 1.511 . . . . 0.0 115.079 -176.844 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 9.6 tp60 -61.32 -39.7 91.46 Favored 'General case' 0 N--CA 1.501 2.088 0 N-CA-C 114.875 1.435 . . . . 0.0 114.875 179.034 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 96' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -60.68 -26.4 67.07 Favored 'General case' 0 CA--C 1.577 2.008 0 N-CA-C 115.477 1.658 . . . . 0.0 115.477 177.265 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 97' ' ' MET . . . . . . . . . . . . . 11.0 tpt -84.84 -77.71 0.27 Allowed 'General case' 0 CA--C 1.569 1.681 0 CA-C-N 119.294 0.952 . . . . 0.0 108.567 177.37 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 98' ' ' SER . . . . . . . . . . . . . 78.8 p -167.3 73.92 0.13 Allowed 'General case' 0 N--CA 1.494 1.748 0 CA-C-N 119.548 1.067 . . . . 0.0 109.658 178.586 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 99' ' ' GLU . . . . . . . . . . . . . 5.6 tm-20 -151.65 -144.66 0.15 Allowed 'General case' 0 CA--C 1.578 2.05 0 O-C-N 121.211 -0.93 . . . . 0.0 111.518 -179.148 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 100' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -156.15 116.89 3.76 Favored 'General case' 0 N--CA 1.497 1.92 0 O-C-N 119.714 -1.866 . . . . 0.0 112.588 -179.148 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 101' ' ' ASP . . . . . 0.42 ' O ' ' OG1' ' A' ' 102' ' ' THR . 1.4 t70 -161.85 164.25 28.82 Favored 'General case' 0 N--CA 1.501 2.11 0 CA-C-N 120.859 1.663 . . . . 0.0 114.844 178.73 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 102' ' ' THR . . . . . 0.42 ' OG1' ' O ' ' A' ' 101' ' ' ASP . 90.8 m -167.13 -72.31 0.03 OUTLIER 'General case' 0 CA--C 1.579 2.094 0 C-N-CA 125.045 1.338 . . . . 0.0 108.139 178.929 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 103' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -143.72 -160.95 1.18 Allowed 'General case' 0 N--CA 1.5 2.04 0 C-N-CA 124.833 1.253 . . . . 0.0 108.978 177.071 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 104' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 69.92 -45.08 0.57 Allowed 'General case' 0 N--CA 1.526 3.36 0 CA-C-N 121.527 1.967 . . . . 0.0 111.883 -174.407 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 105' ' ' GLU . . . . . . . . . . . . . 25.9 tp10 -62.35 -22.48 66.13 Favored 'General case' 0 CA--C 1.557 1.237 0 C-N-CA 126.151 1.781 . . . . 0.0 113.814 177.148 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 106' ' ' ILE . . . . . . . . . . . . . 9.7 tt -53.87 -39.75 41.39 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.668 0 CA-C-N 122.884 2.584 . . . . 0.0 109.294 172.769 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 107' ' ' LEU . . . . . 0.441 ' HA ' ' HE1' ' A' ' 162' ' ' PHE . 1.2 mm? -63.31 -48.31 78.6 Favored 'General case' 0 CA--C 1.553 1.066 0 N-CA-C 114.005 1.113 . . . . 0.0 114.005 179.199 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 108' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -68.06 -47.16 69.1 Favored 'General case' 0 CA--C 1.563 1.46 0 CA-C-O 117.596 -1.192 . . . . 0.0 111.091 175.587 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 109' ' ' ALA . . . . . . . . . . . . . . . -60.78 -43.95 97.4 Favored 'General case' 0 CA--C 1.552 1.033 0 CA-C-N 120.819 1.645 . . . . 0.0 114.636 179.051 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 110' ' ' PHE . . . . . 0.478 ' HB3' ' CE1' ' A' ' 162' ' ' PHE . 4.5 t80 -69.69 -46.29 66.36 Favored 'General case' 0 N--CA 1.483 1.211 0 CA-C-N 121.174 1.806 . . . . 0.0 111.482 177.259 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 111' ' ' LYS . . . . . . . . . . . . 0.275 10.6 tptp -70.08 -27.66 64.79 Favored 'General case' 0 CA--C 1.576 1.96 0 CA-C-N 120.684 1.584 . . . . 0.0 112.939 -179.823 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 112' ' ' LEU . . . . . . . . . . . . . 1.2 pp -77.73 -30.48 51.7 Favored 'General case' 0 CA--C 1.579 2.069 0 CA-C-N 122.533 2.424 . . . . 0.0 111.363 172.106 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 113' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -57.36 -49.11 77.21 Favored 'General case' 0 N--CA 1.49 1.538 0 N-CA-C 114.209 1.188 . . . . 0.0 114.209 175.534 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 114' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -94.69 68.23 3.35 Favored 'General case' 0 CA--C 1.596 2.712 0 O-C-N 123.679 0.612 . . . . 0.0 111.3 -177.748 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 115' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.75 -14.93 56.89 Favored 'General case' 0 CA--C 1.591 2.553 0 O-C-N 118.286 -2.759 . . . . 0.0 115.178 178.029 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 116' ' ' ASP . . . . . . . . . . . . . 12.6 t70 -78.46 -16.08 57.95 Favored 'General case' 0 CA--C 1.588 2.421 0 CA-C-N 121.955 2.161 . . . . 0.0 113.505 177.299 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 117' ' ' GLU . . . . . . . . . . . . . 14.5 tp10 76.5 50.03 0.06 Allowed 'General case' 0 N--CA 1.508 2.426 0 CA-C-O 126.893 3.235 . . . . 0.0 114.816 179.124 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 118' ' ' THR . . . . . . . . . . . . . 70.8 p -107.65 -42.4 4.76 Favored 'General case' 0 CA--C 1.574 1.898 0 CA-C-N 109.422 -3.536 . . . . 0.0 109.692 177.202 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . 69.7 52.37 20.7 Favored Glycine 0 N--CA 1.481 1.684 0 C-N-CA 126.22 1.867 . . . . 0.0 117.402 -179.688 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 120' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -146.03 113.07 6.12 Favored 'General case' 0 CA--C 1.562 1.437 0 CA-C-N 118.398 1.099 . . . . 0.0 109.429 179.209 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 121' ' ' ILE . . . . . . . . . . . . . 4.2 mp -99.9 127.73 52.5 Favored 'Isoleucine or valine' 0 N--CA 1.506 2.363 0 N-CA-C 105.833 -1.914 . . . . 0.0 105.833 176.436 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 122' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -112.96 165.38 12.39 Favored 'General case' 0 CA--C 1.58 2.097 0 CA-C-N 111.765 -2.47 . . . . 0.0 107.052 177.742 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 123' ' ' PHE . . . . . . . . . . . . . 66.3 t80 -41.99 -40.02 2.08 Favored 'General case' 0 N--CA 1.515 2.796 0 N-CA-C 118.167 2.654 . . . . 0.0 118.167 -178.65 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 124' ' ' LYS . . . . . . . . . . . . . 50.1 tttp -61.74 -39.21 90.79 Favored 'General case' 0 N--CA 1.5 2.033 0 N-CA-C 113.458 0.91 . . . . 0.0 113.458 178.665 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 125' ' ' ASN . . . . . . . . . . . . . 0.0 OUTLIER -69.4 -33.44 73.02 Favored 'General case' 0 CA--C 1.585 2.31 0 CA-C-O 117.465 -1.255 . . . . 0.0 109.109 175.767 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 126' ' ' LEU . . . . . . . . . . . . . 4.4 mp -56.95 -39.23 74.18 Favored 'General case' 0 N--CA 1.506 2.368 0 CA-C-N 122.268 2.304 . . . . 0.0 110.802 171.347 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 127' ' ' LYS . . . . . . . . . . . . . 22.9 mmtp -56.94 -46.33 82.15 Favored 'General case' 0 N--CA 1.502 2.126 0 C-N-CA 123.868 0.867 . . . . 0.0 110.419 171.926 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 128' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -56.59 -53.92 51.98 Favored 'General case' 0 N--CA 1.502 2.135 0 CA-C-N 119.197 0.908 . . . . 0.0 112.516 174.089 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 129' ' ' VAL . . . . . 0.471 HG22 HD22 ' A' ' 133' ' ' LEU 0.258 0.2 OUTLIER -58.93 -42.82 87.07 Favored 'Isoleucine or valine' 0 N--CA 1.512 2.629 0 CA-C-O 117.078 -1.439 . . . . 0.0 111.687 178.421 . . . . . . . . 4 4 . 1 . 025 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -54.24 -40.65 67.91 Favored 'General case' 0 CA--C 1.578 2.046 0 CA-C-N 120.496 1.498 . . . . 0.0 112.653 175.04 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 131' ' ' LYS . . . . . . . . . . . . . 61.0 mtpt -71.44 -46.47 59.96 Favored 'General case' 0 CA--C 1.576 1.949 0 CA-C-N 119.278 0.944 . . . . 0.0 111.62 173.434 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 132' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -52.93 -45.42 67.65 Favored 'General case' 0 N--CA 1.503 2.176 0 N-CA-C 114.89 1.441 . . . . 0.0 114.89 177.475 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 133' ' ' LEU . . . . . 0.471 HD22 HG22 ' A' ' 129' ' ' VAL 0.359 7.0 mp -70.4 -19.04 63.04 Favored 'General case' 0 CA--C 1.556 1.208 0 N-CA-C 117.804 2.52 . . . . 0.0 117.804 175.26 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 134' ' ' GLY . . . . . . . . . . . . . . . 90.57 -44.5 2.9 Favored Glycine 0 N--CA 1.486 2.03 0 CA-C-N 113.938 -1.483 . . . . 0.0 115.26 -179.775 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 135' ' ' GLU . . . . . . . . . . . . . 45.6 mt-10 -85.02 93.72 8.66 Favored 'General case' 0 N--CA 1.488 1.463 0 N-CA-C 107.83 -1.174 . . . . 0.0 107.83 178.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 136' ' ' ASN . . . . . . . . . . . . . 6.6 t30 -85.0 -17.79 36.47 Favored 'General case' 0 CA--C 1.571 1.775 0 N-CA-C 118.036 2.606 . . . . 0.0 118.036 -178.178 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 137' ' ' LEU . . . . . . . . . . . . 0.294 0.0 OUTLIER 46.43 -116.61 0.67 Allowed 'General case' 0 N--CA 1.505 2.275 0 C-N-CA 126.034 1.734 . . . . 0.0 112.002 -177.931 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 138' ' ' THR . . . . . . . . . . . . . 4.8 t -151.19 165.5 33.75 Favored 'General case' 0 N--CA 1.484 1.265 0 CA-C-N 122.668 2.486 . . . . 0.0 109.74 178.12 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 139' ' ' ASP . . . . . . . . . . . . . 9.9 p-10 -42.6 -49.12 5.51 Favored 'General case' 0 CA--C 1.57 1.743 0 CA-C-N 111.305 -2.68 . . . . 0.0 116.997 176.902 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 140' ' ' GLU . . . . . . . . . . . . . 1.3 mm-40 -61.88 -44.23 97.23 Favored 'General case' 0 CA--C 1.573 1.854 0 C-N-CA 126.278 1.831 . . . . 0.0 112.226 177.628 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 141' ' ' GLU . . . . . . . . . . . . . 3.2 mt-10 -56.87 -52.88 63.4 Favored 'General case' 0 N--CA 1.507 2.382 0 CA-C-N 119.388 0.994 . . . . 0.0 110.98 175.001 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 142' ' ' LEU . . . . . . . . . . . . . 8.1 mt -58.85 -36.68 74.97 Favored 'General case' 0 CA--C 1.574 1.874 0 O-C-N 121.205 -0.935 . . . . 0.0 113.049 175.915 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 143' ' ' GLN . . . . . 0.511 HE22 HG21 ' A' ' 146' ' ' ILE . 0.7 OUTLIER -69.54 -37.24 76.99 Favored 'General case' 0 CA--C 1.566 1.574 0 CA-C-N 119.455 1.025 . . . . 0.0 111.558 178.154 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 144' ' ' GLU . . . . . . . . . . . . . 15.8 mm-40 -60.24 -40.32 89.82 Favored 'General case' 0 CA--C 1.587 2.395 0 CA-C-N 120.007 1.276 . . . . 0.0 109.726 173.328 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 145' ' ' MET . . . . . . . . . . . . . 71.7 mmm -59.28 -44.22 92.47 Favored 'General case' 0 N--CA 1.503 2.188 0 O-C-N 121.399 -0.813 . . . . 0.0 111.658 173.225 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 146' ' ' ILE . . . . . 0.511 HG21 HE22 ' A' ' 143' ' ' GLN . 2.8 mm -58.41 -59.78 3.14 Favored 'Isoleucine or valine' 0 N--CA 1.492 1.649 0 C-N-CA 124.733 1.213 . . . . 0.0 110.769 174.922 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 147' ' ' ASP . . . . . . . . . . . . . 1.2 t70 -54.54 -31.93 57.3 Favored 'General case' 0 N--CA 1.505 2.323 0 N-CA-C 113.991 1.108 . . . . 0.0 113.991 -179.276 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 148' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -75.23 -36.69 61.31 Favored 'General case' 0 CA--C 1.599 2.86 0 CA-C-N 121.004 1.729 . . . . 0.0 111.905 172.368 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 149' ' ' ALA . . . . . . . . . . . . . . . -75.01 -28.13 60.39 Favored 'General case' 0 CA--C 1.579 2.073 0 N-CA-C 117.767 2.506 . . . . 0.0 117.767 176.372 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 150' ' ' ASP . . . . . . . . . . . . . 0.0 OUTLIER -67.88 32.87 0.03 OUTLIER 'General case' 0 CA--C 1.594 2.642 0 N-CA-C 118.056 2.613 . . . . 0.0 118.056 -178.201 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 151' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -56.93 -27.76 61.33 Favored 'General case' 0 N--CA 1.487 1.404 0 N-CA-C 119.863 3.282 . . . . 0.0 119.863 -173.43 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 152' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -70.55 -29.88 66.45 Favored 'General case' 0 CA--C 1.584 2.252 0 CA-C-O 116.021 -1.942 . . . . 0.0 111.875 175.192 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 153' ' ' GLY . . . . . . . . . . . . . . . 143.61 -30.37 1.96 Allowed Glycine 0 N--CA 1.498 2.775 1 N-CA-C 126.657 5.423 . . . . 0.0 126.657 175.965 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 154' ' ' ASP . . . . . . . . . . . . . 21.5 m-20 -103.56 16.27 26.87 Favored 'General case' 0 CA--C 1.586 2.331 0 CA-C-N 121.308 2.554 . . . . 0.0 116.097 -176.501 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 155' ' ' GLY . . . . . . . . . . . . . . . 84.69 18.49 61.65 Favored Glycine 0 N--CA 1.508 3.473 0 CA-C-N 125.208 3.64 . . . . 0.0 118.951 -179.611 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 156' ' ' GLU . . . . . . . . . . . . 0.27 6.8 pt-20 -147.26 156.99 43.42 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 125.031 1.332 . . . . 0.0 107.831 178.631 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 157' ' ' VAL . . . . . . . . . . . . . 2.5 t -99.78 121.03 49.97 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 O-C-N 120.0 -1.688 . . . . 0.0 109.554 -173.757 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 158' ' ' SER . . . . . . . . . . . . . 85.4 p -99.96 173.13 6.8 Favored 'General case' 0 CA--C 1.566 1.584 0 C-N-CA 124.991 1.316 . . . . 0.0 111.467 179.967 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 159' ' ' GLU . . . . . . . . . . . . . 9.9 mp0 -57.53 -46.75 83.48 Favored 'General case' 0 N--CA 1.498 1.951 0 N-CA-C 116.14 1.904 . . . . 0.0 116.14 -178.182 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 160' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -64.96 -30.11 71.08 Favored 'General case' 0 CA--C 1.579 2.062 0 CA-C-N 121.159 1.799 . . . . 0.0 112.372 177.696 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 161' ' ' GLU . . . . . . . . . . . . . 4.5 pt-20 -78.21 -23.28 47.56 Favored 'General case' 0 CA--C 1.589 2.446 0 CA-C-N 122.123 2.238 . . . . 0.0 111.725 173.806 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 162' ' ' PHE . . . . . 0.478 ' CE1' ' HB3' ' A' ' 110' ' ' PHE . 0.1 OUTLIER -61.85 -56.75 16.12 Favored 'General case' 0 N--CA 1.489 1.489 0 C-N-CA 126.793 2.037 . . . . 0.0 108.803 173.686 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 163' ' ' LEU . . . . . 0.454 HD22 ' H ' ' A' ' 164' ' ' ARG . 0.0 OUTLIER -80.12 -60.06 2.48 Favored 'General case' 0 CA--C 1.589 2.449 0 N-CA-C 113.171 0.804 . . . . 0.0 113.171 176.357 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 164' ' ' ARG . . . . . 0.454 ' H ' HD22 ' A' ' 163' ' ' LEU . 1.4 tmm_? -80.2 -23.38 41.01 Favored 'General case' 0 CA--C 1.573 1.86 1 N-CA-C 122.082 4.105 . . . . 0.0 122.082 -177.972 . . . . . . . . 3 3 . 1 . 025 nuclear nobuild full ' A' A ' 165' ' ' ILE . . . . . . . . . . . . 0.254 8.0 tp . . . . . 0 N--CA 1.526 3.357 0 CA-C-N 122.374 2.352 . . . . 0.0 116.979 -174.798 . . . . . . . . 1 1 . 1 stop_ save_