data_2mud_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 2mud _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 122.084 0.945 . . . . 0.0 113.536 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -55.2 -46.98 75.91 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.21 13.72 1.76 Allowed 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 118.381 2.734 . . . . 0.0 118.381 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -143.96 20.44 1.79 Allowed 'General case' 0 CA--C 1.583 2.218 0 C-N-CA 128.513 2.725 . . . . 0.0 112.555 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -130.81 -49.28 1.04 Allowed 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 128.413 2.685 . . . . 0.0 104.564 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.6 mtt -72.26 -52.0 18.35 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -61.46 -34.74 75.95 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-N 119.969 1.259 . . . . 0.0 111.885 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.87 -48.3 74.76 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 176.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -64.1 -58.77 5.66 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.072 0.949 . . . . 0.0 109.735 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -46.18 -43.72 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 C-N-CA 124.923 1.289 . . . . 0.0 113.135 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.32 -27.22 60.24 Favored Glycine 0 CA--C 1.551 2.309 0 N-CA-C 116.4 1.32 . . . . 0.0 116.4 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -138.14 46.0 2.07 Favored 'General case' 0 CA--C 1.573 1.861 0 C-N-CA 125.235 1.414 . . . . 0.0 111.674 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -134.98 -65.5 0.62 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 102.113 -3.291 . . . . 0.0 102.113 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 30.4 m -102.71 50.66 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.897 0 CA-C-O 127.036 3.303 . . . . 0.0 110.59 175.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -148.6 -49.24 0.16 Allowed 'General case' 0 CA--C 1.562 1.426 1 CA-C-N 106.832 -4.713 . . . . 0.0 101.312 177.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -70.42 -45.04 66.7 Favored 'General case' 0 CA--C 1.562 1.436 0 CA-C-N 120.603 1.547 . . . . 0.0 108.678 176.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -71.44 -17.85 62.35 Favored 'General case' 0 CA--C 1.588 2.431 0 CA-C-N 119.264 0.938 . . . . 0.0 110.852 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.255 25.2 t -81.65 -54.31 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 126.16 1.784 . . . . 0.0 110.286 177.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.9 tttp . . . . . 0 CA--C 1.58 2.114 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 177.146 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 CA--C 1.568 1.658 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -55.25 -51.65 65.94 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.36 1.064 . . . . 0.0 113.408 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.63 17.53 0.53 Allowed 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 117.851 2.537 . . . . 0.0 117.851 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -138.8 14.09 2.69 Favored 'General case' 0 CA--C 1.589 2.449 0 C-N-CA 129.39 3.076 . . . . 0.0 112.231 176.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -127.32 -45.95 1.5 Allowed 'General case' 0 CA--C 1.565 1.522 0 C-N-CA 129.57 3.148 . . . . 0.0 105.124 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.3 ptp -72.76 -51.46 19.01 Favored 'General case' 0 C--N 1.362 1.145 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 176.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -62.27 -35.76 79.99 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.906 1.283 . . . . 0.0 112.072 176.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.47 -48.2 76.13 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -63.98 -58.46 6.66 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.889 0.875 . . . . 0.0 109.987 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.2 mt -46.59 -43.44 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 C-N-CA 124.88 1.272 . . . . 0.0 112.963 176.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.13 -23.47 57.4 Favored Glycine 0 CA--C 1.553 2.452 0 N-CA-C 116.789 1.476 . . . . 0.0 116.789 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -141.87 45.94 1.67 Allowed 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 125.291 1.436 . . . . 0.0 111.698 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -136.22 -65.75 0.56 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 102.356 -3.201 . . . . 0.0 102.356 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.329 29.5 m -102.46 47.0 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.858 0 CA-C-O 126.732 3.158 . . . . 0.0 111.319 175.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -143.87 -50.04 0.3 Allowed 'General case' 0 CA--C 1.556 1.205 1 CA-C-N 107.138 -4.574 . . . . 0.0 101.415 177.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -73.13 -38.14 66.4 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 120.55 1.523 . . . . 0.0 110.018 176.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -68.48 -25.27 64.89 Favored 'General case' 0 CA--C 1.579 2.059 0 CA-C-N 120.54 1.518 . . . . 0.0 110.884 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.258 2.7 m -80.54 -53.41 12.7 Favored 'Isoleucine or valine' 0 C--N 1.366 1.286 0 CA-C-N 119.66 1.118 . . . . 0.0 111.68 177.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt . . . . . 0 CA--C 1.578 2.022 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.148 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 CA--C 1.572 1.79 0 CA-C-O 121.843 0.83 . . . . 0.0 112.694 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -51.61 -44.47 62.89 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.236 1.414 . . . . 0.0 114.418 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.94 13.13 1.48 Allowed 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 118.248 2.684 . . . . 0.0 118.248 176.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -142.55 20.18 2.03 Favored 'General case' 0 CA--C 1.59 2.517 0 C-N-CA 129.358 3.063 . . . . 0.0 111.89 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -128.43 -50.79 1.28 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 128.947 2.899 . . . . 0.0 105.11 176.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.3 mtt -72.7 -51.95 17.22 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.48 -33.91 74.57 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 119.913 1.233 . . . . 0.0 111.78 176.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.2 -49.95 67.76 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.2 -57.51 11.22 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.971 0.908 . . . . 0.0 110.385 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.6 mt -47.58 -43.97 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 C-N-CA 124.807 1.243 . . . . 0.0 112.781 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.45 -20.11 54.84 Favored Glycine 0 CA--C 1.554 2.528 0 N-CA-C 117.216 1.646 . . . . 0.0 117.216 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.257 63.5 pttt -141.98 41.59 1.67 Allowed 'General case' 0 CA--C 1.572 1.804 0 C-N-CA 125.824 1.65 . . . . 0.0 112.866 176.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -132.62 -65.33 0.72 Allowed 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 177.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.326 28.7 m -103.57 50.0 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.909 0 CA-C-O 126.93 3.252 . . . . 0.0 110.493 175.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -147.79 -48.79 0.17 Allowed 'General case' 0 CA--C 1.563 1.453 1 CA-C-N 106.988 -4.642 . . . . 0.0 101.187 177.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.51 -45.63 65.24 Favored 'General case' 0 C--N 1.369 1.43 0 CA-C-N 120.747 1.612 . . . . 0.0 108.449 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -70.41 -19.04 63.02 Favored 'General case' 0 CA--C 1.591 2.519 0 CA-C-N 119.506 1.048 . . . . 0.0 110.877 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.258 25.4 t -80.26 -54.42 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 125.962 1.705 . . . . 0.0 110.543 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.7 tttp . . . . . 0 CA--C 1.579 2.087 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 177.161 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 CA--C 1.568 1.653 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -55.41 -46.7 76.63 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.24 11.91 2.14 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 118.626 2.824 . . . . 0.0 118.626 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -141.69 19.97 2.17 Favored 'General case' 0 CA--C 1.586 2.328 0 C-N-CA 128.654 2.782 . . . . 0.0 112.258 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -130.19 -48.23 1.1 Allowed 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 128.561 2.744 . . . . 0.0 105.384 177.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.2 mtp -73.75 -51.85 15.14 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -61.27 -34.72 75.65 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 120.198 1.363 . . . . 0.0 111.914 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -64.46 -48.9 73.53 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -64.07 -58.08 7.72 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.867 0.867 . . . . 0.0 110.141 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -46.66 -43.79 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 C-N-CA 124.869 1.268 . . . . 0.0 112.974 176.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.16 -22.65 56.09 Favored Glycine 0 CA--C 1.554 2.47 0 N-CA-C 116.869 1.508 . . . . 0.0 116.869 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.269 24.5 pttm -141.79 43.51 1.71 Allowed 'General case' 0 CA--C 1.572 1.792 0 C-N-CA 125.52 1.528 . . . . 0.0 112.687 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -134.14 -65.1 0.67 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 102.574 -3.121 . . . . 0.0 102.574 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.32 28.3 m -103.89 50.45 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.907 0 CA-C-O 126.96 3.267 . . . . 0.0 110.383 175.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -148.4 -48.66 0.16 Allowed 'General case' 0 CA--C 1.562 1.407 1 CA-C-N 106.932 -4.667 . . . . 0.0 101.557 177.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -71.07 -45.54 63.58 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 120.413 1.46 . . . . 0.0 108.244 176.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -70.61 -19.2 62.86 Favored 'General case' 0 CA--C 1.59 2.486 0 CA-C-N 119.493 1.042 . . . . 0.0 110.748 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.264 24.5 t -79.03 -53.87 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 C-N-CA 125.961 1.704 . . . . 0.0 110.083 177.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? . . . . . 0 CA--C 1.578 2.051 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 177.05 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 CA--C 1.568 1.648 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -55.34 -46.62 76.38 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.56 12.11 2.18 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 118.49 2.774 . . . . 0.0 118.49 177.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -141.6 19.74 2.19 Favored 'General case' 0 CA--C 1.586 2.329 0 C-N-CA 128.688 2.795 . . . . 0.0 112.293 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -129.78 -50.53 1.14 Allowed 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 128.591 2.756 . . . . 0.0 104.654 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 mtt -71.46 -51.77 22.02 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 105.215 -2.142 . . . . 0.0 105.215 176.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -61.32 -33.69 74.01 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-N 120.035 1.289 . . . . 0.0 112.045 176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -64.59 -49.98 69.01 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -65.24 -57.09 9.36 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 118.17 -0.919 . . . . 0.0 109.947 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.7 mt -46.23 -43.78 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 C-N-CA 124.661 1.184 . . . . 0.0 113.262 177.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.63 -24.36 56.73 Favored Glycine 0 CA--C 1.553 2.46 0 N-CA-C 116.732 1.453 . . . . 0.0 116.732 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -142.16 47.75 1.6 Allowed 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 125.359 1.464 . . . . 0.0 111.497 176.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -137.62 -65.69 0.52 Allowed 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 102.234 -3.247 . . . . 0.0 102.234 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.321 28.8 m -103.73 50.22 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.921 0 CA-C-O 126.993 3.283 . . . . 0.0 110.431 175.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -148.17 -48.96 0.16 Allowed 'General case' 0 CA--C 1.561 1.382 1 CA-C-N 106.957 -4.656 . . . . 0.0 101.425 177.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -70.79 -45.14 65.21 Favored 'General case' 0 CA--C 1.562 1.44 0 CA-C-N 120.637 1.562 . . . . 0.0 108.364 176.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -70.33 -20.04 63.02 Favored 'General case' 0 CA--C 1.59 2.51 0 CA-C-N 119.491 1.042 . . . . 0.0 110.675 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.261 24.2 t -78.61 -54.73 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 125.961 1.704 . . . . 0.0 110.088 177.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt . . . . . 0 CA--C 1.577 1.984 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 177.118 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 CA--C 1.568 1.638 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -54.73 -46.01 74.19 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.96 13.49 1.73 Allowed 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 118.679 2.844 . . . . 0.0 118.679 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -144.43 21.11 1.7 Allowed 'General case' 0 CA--C 1.585 2.289 0 C-N-CA 128.508 2.723 . . . . 0.0 112.272 176.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -130.65 -48.72 1.05 Allowed 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 128.66 2.784 . . . . 0.0 105.058 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.6 mtt -73.88 -52.04 14.26 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -61.22 -34.26 74.82 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 120.057 1.299 . . . . 0.0 111.87 176.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.84 -49.82 69.1 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -62.5 -57.54 10.81 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.042 0.937 . . . . 0.0 110.396 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -47.53 -44.01 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 C-N-CA 124.827 1.251 . . . . 0.0 112.747 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.25 -20.83 55.59 Favored Glycine 0 CA--C 1.554 2.504 0 N-CA-C 117.101 1.6 . . . . 0.0 117.101 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.256 63.7 pttt -141.37 41.48 1.76 Allowed 'General case' 0 CA--C 1.572 1.806 0 C-N-CA 125.782 1.633 . . . . 0.0 112.967 176.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -132.38 -65.71 0.72 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 102.165 -3.272 . . . . 0.0 102.165 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 30.2 m -102.9 50.63 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.898 0 CA-C-O 126.96 3.267 . . . . 0.0 110.549 175.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -148.31 -49.12 0.16 Allowed 'General case' 0 CA--C 1.562 1.431 1 CA-C-N 106.908 -4.678 . . . . 0.0 101.289 177.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -70.7 -45.17 65.46 Favored 'General case' 0 CA--C 1.563 1.449 0 CA-C-N 120.709 1.595 . . . . 0.0 108.525 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -71.13 -17.77 62.54 Favored 'General case' 0 CA--C 1.588 2.407 0 CA-C-N 119.332 0.969 . . . . 0.0 110.985 176.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.256 25.1 t -81.83 -54.49 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 126.212 1.805 . . . . 0.0 110.325 177.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.7 tttt . . . . . 0 CA--C 1.579 2.061 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 177.139 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 CA--C 1.568 1.643 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -55.31 -46.84 76.28 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.98 11.82 2.07 Favored 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 118.682 2.845 . . . . 0.0 118.682 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -141.7 19.94 2.17 Favored 'General case' 0 CA--C 1.585 2.31 0 C-N-CA 128.661 2.784 . . . . 0.0 112.295 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -130.27 -48.15 1.09 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 128.561 2.744 . . . . 0.0 105.417 177.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.5 mtm -73.79 -51.81 15.19 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 104.724 -2.324 . . . . 0.0 104.724 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -61.46 -34.68 75.85 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 120.109 1.322 . . . . 0.0 111.914 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.54 -48.81 73.7 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.86 -58.56 6.42 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.957 0.903 . . . . 0.0 110.015 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -46.25 -43.73 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 C-N-CA 124.893 1.277 . . . . 0.0 113.091 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.68 -26.18 59.7 Favored Glycine 0 CA--C 1.552 2.344 0 N-CA-C 116.531 1.373 . . . . 0.0 116.531 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -138.36 45.06 2.09 Favored 'General case' 0 CA--C 1.574 1.897 0 C-N-CA 125.357 1.463 . . . . 0.0 111.59 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -134.04 -65.68 0.65 Allowed 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 102.439 -3.171 . . . . 0.0 102.439 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 29.2 m -103.43 50.99 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.883 0 CA-C-O 127.003 3.287 . . . . 0.0 110.382 175.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -148.45 -49.21 0.16 Allowed 'General case' 0 CA--C 1.561 1.377 1 CA-C-N 106.874 -4.693 . . . . 0.0 101.496 177.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.7 -45.37 65.09 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-N 120.345 1.43 . . . . 0.0 108.277 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -71.14 -17.71 62.54 Favored 'General case' 0 CA--C 1.588 2.431 0 CA-C-N 119.353 0.979 . . . . 0.0 110.912 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.26 24.0 t -80.95 -54.08 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 126.032 1.733 . . . . 0.0 109.978 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 tptm . . . . . 0 CA--C 1.579 2.085 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 177.106 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 CA--C 1.567 1.614 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -56.47 -52.79 63.39 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.368 1.067 . . . . 0.0 113.111 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.16 17.56 0.45 Allowed 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 117.856 2.539 . . . . 0.0 117.856 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -138.21 13.92 2.82 Favored 'General case' 0 CA--C 1.589 2.463 0 C-N-CA 129.392 3.077 . . . . 0.0 112.311 176.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -126.69 -48.12 1.53 Allowed 'General case' 0 CA--C 1.563 1.479 0 C-N-CA 129.607 3.163 . . . . 0.0 104.351 176.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -70.36 -52.47 22.29 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 176.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -62.03 -34.12 75.64 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-N 119.74 1.155 . . . . 0.0 112.462 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.17 -50.4 66.09 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.3 32.4 ptt180 -66.33 -53.4 36.79 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 117.683 -1.151 . . . . 0.0 110.48 177.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -47.93 -43.98 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 CA-C-N 120.141 1.337 . . . . 0.0 112.945 177.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.47 -21.9 55.25 Favored Glycine 0 CA--C 1.554 2.499 0 N-CA-C 117.238 1.655 . . . . 0.0 117.238 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -142.87 44.87 1.59 Allowed 'General case' 0 CA--C 1.576 1.949 0 C-N-CA 125.613 1.565 . . . . 0.0 112.153 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -135.47 -65.84 0.59 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 102.233 -3.247 . . . . 0.0 102.233 177.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.327 28.8 m -102.55 47.24 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.878 0 CA-C-O 126.73 3.157 . . . . 0.0 111.169 175.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -143.75 -49.54 0.3 Allowed 'General case' 0 CA--C 1.556 1.198 1 CA-C-N 107.175 -4.557 . . . . 0.0 101.751 177.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.17 -38.66 63.61 Favored 'General case' 0 C--N 1.362 1.141 0 CA-C-N 120.262 1.392 . . . . 0.0 109.891 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -68.23 -25.22 65.09 Favored 'General case' 0 CA--C 1.578 2.032 0 CA-C-N 120.617 1.553 . . . . 0.0 110.904 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.25 2.6 m -80.57 -52.9 13.67 Favored 'Isoleucine or valine' 0 C--N 1.365 1.242 0 CA-C-N 119.697 1.135 . . . . 0.0 111.626 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.5 tttt . . . . . 0 CA--C 1.58 2.102 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 177.159 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 CA--C 1.565 1.528 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -57.22 -53.84 53.58 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 124.148 0.979 . . . . 0.0 113.059 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.37 20.55 0.4 Allowed 'General case' 0 CA--C 1.574 1.879 0 N-CA-C 117.38 2.363 . . . . 0.0 117.38 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -141.53 15.41 2.18 Favored 'General case' 0 CA--C 1.589 2.467 0 C-N-CA 129.484 3.114 . . . . 0.0 112.295 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -128.48 -46.68 1.31 Allowed 'General case' 0 CA--C 1.566 1.566 0 C-N-CA 129.721 3.209 . . . . 0.0 104.746 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -72.63 -52.32 15.88 Favored 'General case' 0 C--N 1.363 1.163 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 176.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.72 -35.58 78.46 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 119.939 1.245 . . . . 0.0 112.047 176.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.3 -49.43 71.8 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -63.01 -57.41 10.78 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.893 0.877 . . . . 0.0 110.468 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.8 mt -47.39 -44.04 8.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 C-N-CA 124.902 1.281 . . . . 0.0 112.798 176.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.65 -20.1 55.8 Favored Glycine 0 CA--C 1.554 2.52 0 N-CA-C 117.329 1.692 . . . . 0.0 117.329 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.257 63.9 pttt -141.16 39.55 1.77 Allowed 'General case' 0 CA--C 1.572 1.793 0 C-N-CA 125.777 1.631 . . . . 0.0 112.978 176.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.406 ' C ' ' H ' ' A' ' 15' ' ' TYR . 11.3 t70 -130.0 -66.55 0.78 Allowed 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 102.253 -3.24 . . . . 0.0 102.253 177.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.33 29.1 m -101.63 47.98 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.838 0 CA-C-O 126.705 3.145 . . . . 0.0 111.341 175.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.406 ' H ' ' C ' ' A' ' 13' ' ' ASP . 93.8 t80 -144.17 -49.62 0.29 Allowed 'General case' 0 CA--C 1.556 1.185 1 CA-C-N 107.14 -4.573 . . . . 0.0 102.099 177.06 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.05 -38.11 61.49 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 120.191 1.36 . . . . 0.0 109.962 176.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -69.46 -22.86 63.61 Favored 'General case' 0 CA--C 1.576 1.946 0 CA-C-N 120.618 1.554 . . . . 0.0 110.981 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.78 -53.2 12.13 Favored 'Isoleucine or valine' 0 C--N 1.366 1.294 0 CA-C-N 119.883 1.22 . . . . 0.0 111.338 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.4 tttt . . . . . 0 CA--C 1.58 2.102 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 177.171 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 CA--C 1.57 1.735 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -51.23 -45.46 61.95 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.4 14.66 1.17 Allowed 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 118.513 2.783 . . . . 0.0 118.513 177.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -145.99 22.28 1.4 Allowed 'General case' 0 CA--C 1.587 2.393 0 C-N-CA 128.993 2.917 . . . . 0.0 112.11 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -130.82 -50.13 1.04 Allowed 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 128.947 2.899 . . . . 0.0 104.861 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.8 mtm -73.39 -52.42 13.86 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 176.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.37 -33.96 74.53 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 119.947 1.248 . . . . 0.0 111.916 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.05 -48.88 72.24 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.63 -58.27 7.46 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.998 0.919 . . . . 0.0 110.007 177.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -46.68 -43.64 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 C-N-CA 124.806 1.243 . . . . 0.0 112.982 176.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.04 -23.92 57.76 Favored Glycine 0 CA--C 1.551 2.343 0 N-CA-C 116.707 1.443 . . . . 0.0 116.707 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -141.68 47.19 1.66 Allowed 'General case' 0 CA--C 1.574 1.902 0 C-N-CA 125.219 1.408 . . . . 0.0 111.544 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -136.49 -65.86 0.55 Allowed 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 102.28 -3.23 . . . . 0.0 102.28 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.326 28.4 m -102.52 47.13 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.91 0 CA-C-O 126.733 3.159 . . . . 0.0 111.2 175.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -143.98 -49.51 0.29 Allowed 'General case' 0 CA--C 1.556 1.19 1 CA-C-N 107.136 -4.574 . . . . 0.0 101.852 177.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.32 -37.79 63.5 Favored 'General case' 0 C--N 1.362 1.118 0 CA-C-N 120.342 1.428 . . . . 0.0 110.001 176.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -68.41 -26.86 65.75 Favored 'General case' 0 CA--C 1.577 1.989 0 CA-C-N 120.597 1.544 . . . . 0.0 110.536 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 2.5 m -79.17 -52.97 14.3 Favored 'Isoleucine or valine' 0 C--N 1.364 1.226 0 CA-C-N 119.634 1.106 . . . . 0.0 111.869 177.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.5 tttt . . . . . 0 CA--C 1.579 2.09 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 177.185 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 CA--C 1.57 1.746 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -52.14 -45.71 65.12 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 178.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.03 12.12 1.95 Allowed 'General case' 0 CA--C 1.568 1.64 0 N-CA-C 118.448 2.759 . . . . 0.0 118.448 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -142.58 21.71 2.01 Favored 'General case' 0 CA--C 1.589 2.458 0 C-N-CA 129.092 2.957 . . . . 0.0 111.919 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -130.37 -49.99 1.09 Allowed 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 128.865 2.866 . . . . 0.0 105.09 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 mtt -73.04 -52.01 15.96 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 105.099 -2.186 . . . . 0.0 105.099 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -61.55 -33.92 74.67 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 119.898 1.226 . . . . 0.0 111.868 176.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.19 -48.69 72.55 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -64.19 -58.16 7.4 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.76 0.824 . . . . 0.0 109.802 177.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -46.52 -43.53 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 C-N-CA 124.802 1.241 . . . . 0.0 113.051 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.74 -24.26 57.0 Favored Glycine 0 CA--C 1.554 2.475 0 N-CA-C 116.639 1.415 . . . . 0.0 116.639 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -142.15 48.36 1.58 Allowed 'General case' 0 CA--C 1.574 1.903 0 C-N-CA 125.224 1.41 . . . . 0.0 111.4 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -138.2 -65.54 0.51 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 102.329 -3.212 . . . . 0.0 102.329 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.321 27.6 m -103.75 49.95 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.96 0 CA-C-O 127.007 3.289 . . . . 0.0 110.5 175.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -148.36 -48.47 0.16 Allowed 'General case' 0 CA--C 1.563 1.479 1 CA-C-N 106.884 -4.689 . . . . 0.0 101.3 177.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.57 -45.7 64.9 Favored 'General case' 0 C--N 1.368 1.391 0 CA-C-N 120.732 1.605 . . . . 0.0 108.513 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -70.75 -19.01 62.77 Favored 'General case' 0 CA--C 1.59 2.485 0 CA-C-N 119.534 1.061 . . . . 0.0 110.836 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.26 27.6 t -79.89 -54.28 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 125.964 1.706 . . . . 0.0 110.494 177.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.8 tttm . . . . . 0 CA--C 1.58 2.1 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 177.197 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 CA--C 1.562 1.433 0 CA-C-O 122.757 1.265 . . . . 0.0 113.738 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -57.12 -53.9 52.87 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.607 1.163 . . . . 0.0 112.65 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.74 19.19 0.4 Allowed 'General case' 0 CA--C 1.573 1.834 0 N-CA-C 117.482 2.401 . . . . 0.0 117.482 176.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -138.69 12.56 2.71 Favored 'General case' 0 CA--C 1.586 2.354 0 C-N-CA 129.201 3.001 . . . . 0.0 112.609 176.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . 0.401 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 42.7 t-80 -126.69 -47.15 1.55 Allowed 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 129.273 3.029 . . . . 0.0 104.184 176.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -70.18 -51.7 29.09 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 176.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -61.99 -35.55 78.84 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.754 1.221 . . . . 0.0 112.232 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.92 -47.95 75.9 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 123.352 0.661 . . . . 0.0 109.303 176.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 5' ' ' HIS . 6.0 mmp_? -64.82 -57.86 7.75 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.683 0.793 . . . . 0.0 109.672 177.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.8 mt -46.66 -43.42 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 C-N-CA 124.8 1.24 . . . . 0.0 113.016 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.43 -24.42 56.06 Favored Glycine 0 CA--C 1.554 2.495 0 N-CA-C 116.615 1.406 . . . . 0.0 116.615 176.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -142.22 48.16 1.58 Allowed 'General case' 0 CA--C 1.575 1.934 0 C-N-CA 125.301 1.44 . . . . 0.0 111.471 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -138.63 -65.34 0.5 Allowed 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 102.064 -3.31 . . . . 0.0 102.064 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.297 33.0 m -103.63 51.26 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.862 0 CA-C-O 127.176 3.369 . . . . 0.0 110.365 175.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -150.73 -48.43 0.12 Allowed 'General case' 0 CA--C 1.562 1.409 1 CA-C-N 106.874 -4.694 . . . . 0.0 101.849 177.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -71.83 -45.38 61.64 Favored 'General case' 0 C--N 1.366 1.312 0 CA-C-N 120.459 1.481 . . . . 0.0 108.906 176.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -75.18 -11.13 60.01 Favored 'General case' 0 CA--C 1.588 2.42 0 CA-C-N 119.83 1.196 . . . . 0.0 111.281 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.6 t -85.98 -54.19 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 126.402 1.881 . . . . 0.0 109.731 177.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.7 tttt . . . . . 0 CA--C 1.579 2.062 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 177.2 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 CA--C 1.569 1.68 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -54.1 -46.04 72.0 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.4 12.03 2.15 Favored 'General case' 0 CA--C 1.567 1.632 0 N-CA-C 118.557 2.799 . . . . 0.0 118.557 176.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -141.84 20.14 2.15 Favored 'General case' 0 CA--C 1.586 2.364 0 C-N-CA 128.735 2.814 . . . . 0.0 112.18 176.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -130.18 -49.98 1.1 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 128.585 2.754 . . . . 0.0 104.966 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.3 mtp -72.08 -51.6 20.79 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 105.05 -2.204 . . . . 0.0 105.05 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -61.38 -33.42 73.62 Favored 'General case' 0 CA--C 1.561 1.393 0 CA-C-N 120.033 1.288 . . . . 0.0 111.947 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.73 -50.2 67.83 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -64.52 -57.81 8.15 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 118.409 -0.805 . . . . 0.0 109.997 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.0 mt -45.51 -43.85 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 C-N-CA 124.672 1.189 . . . . 0.0 113.534 177.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.42 -26.74 59.82 Favored Glycine 0 CA--C 1.552 2.402 0 N-CA-C 116.525 1.37 . . . . 0.0 116.525 176.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -138.56 45.69 2.04 Favored 'General case' 0 CA--C 1.575 1.917 0 C-N-CA 125.344 1.457 . . . . 0.0 111.601 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -134.74 -65.01 0.65 Allowed 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 102.487 -3.153 . . . . 0.0 102.487 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.323 27.7 m -103.61 50.22 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.933 0 CA-C-O 126.991 3.281 . . . . 0.0 110.427 175.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -148.61 -48.88 0.15 Allowed 'General case' 0 CA--C 1.562 1.434 1 CA-C-N 106.918 -4.674 . . . . 0.0 101.32 177.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -70.34 -45.81 65.43 Favored 'General case' 0 C--N 1.368 1.395 0 CA-C-N 120.658 1.572 . . . . 0.0 108.622 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -71.41 -18.32 62.35 Favored 'General case' 0 CA--C 1.59 2.486 0 CA-C-N 119.701 1.137 . . . . 0.0 110.924 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.257 25.0 t -79.49 -54.27 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 125.928 1.691 . . . . 0.0 109.999 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt . . . . . 0 CA--C 1.581 2.135 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 177.044 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.413 ' HB3' ' H ' ' A' ' 2' ' ' SER 0.264 4.0 mp0 . . . . . 0 CA--C 1.566 1.587 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 . . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.413 ' H ' ' HB3' ' A' ' 1' ' ' GLU . 5.8 t -53.3 -41.17 65.34 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 177.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.09 11.43 2.78 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 119.669 3.211 . . . . 0.0 119.669 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -146.55 24.03 1.25 Allowed 'General case' 0 CA--C 1.586 2.331 0 C-N-CA 128.447 2.699 . . . . 0.0 111.552 176.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -131.81 -49.55 0.96 Allowed 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 128.758 2.823 . . . . 0.0 104.768 176.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.2 mtt -73.84 -52.71 12.14 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 176.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.21 -34.09 74.54 Favored 'General case' 0 CA--C 1.561 1.373 0 CA-C-N 119.963 1.256 . . . . 0.0 111.841 176.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.11 -48.88 72.07 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.67 -58.31 7.31 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.932 0.893 . . . . 0.0 109.976 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.62 -43.53 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 C-N-CA 124.814 1.246 . . . . 0.0 112.96 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.72 -24.39 57.13 Favored Glycine 0 CA--C 1.553 2.445 0 N-CA-C 116.608 1.403 . . . . 0.0 116.608 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -141.97 48.25 1.6 Allowed 'General case' 0 CA--C 1.573 1.849 0 C-N-CA 125.278 1.431 . . . . 0.0 111.433 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -138.13 -65.89 0.5 Allowed 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 102.172 -3.27 . . . . 0.0 102.172 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.318 29.0 m -103.69 51.06 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.915 0 CA-C-O 127.03 3.3 . . . . 0.0 110.273 175.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -149.09 -48.66 0.14 Allowed 'General case' 0 CA--C 1.562 1.432 1 CA-C-N 106.844 -4.707 . . . . 0.0 101.654 177.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -71.07 -45.8 63.11 Favored 'General case' 0 CA--C 1.562 1.404 0 CA-C-N 120.352 1.433 . . . . 0.0 108.415 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -71.71 -16.72 62.24 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-N 119.516 1.053 . . . . 0.0 110.955 176.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.261 24.5 t -80.81 -53.76 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 C-N-CA 126.019 1.727 . . . . 0.0 109.693 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? . . . . . 0 CA--C 1.578 2.048 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 176.989 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 CA--C 1.564 1.499 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -57.16 -53.94 52.44 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.148 0.979 . . . . 0.0 113.02 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.21 20.44 0.39 Allowed 'General case' 0 CA--C 1.574 1.875 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -141.35 15.81 2.21 Favored 'General case' 0 CA--C 1.589 2.479 0 C-N-CA 129.387 3.075 . . . . 0.0 112.345 176.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -128.66 -48.98 1.26 Allowed 'General case' 0 CA--C 1.563 1.46 0 C-N-CA 129.729 3.211 . . . . 0.0 104.076 176.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -70.27 -52.36 23.52 Favored 'General case' 0 C--N 1.363 1.181 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 176.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -61.68 -34.7 76.19 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-N 119.809 1.186 . . . . 0.0 112.243 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.19 -49.44 72.02 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.44 0.696 . . . . 0.0 109.192 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -65.78 -56.98 9.13 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.053 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -46.12 -43.94 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 124.743 1.217 . . . . 0.0 113.29 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.01 -24.11 57.93 Favored Glycine 0 CA--C 1.553 2.429 0 N-CA-C 116.847 1.499 . . . . 0.0 116.847 176.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -141.44 46.3 1.71 Allowed 'General case' 0 CA--C 1.575 1.907 0 C-N-CA 125.39 1.476 . . . . 0.0 111.609 176.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.402 ' C ' ' H ' ' A' ' 15' ' ' TYR . 11.4 t70 -135.82 -67.16 0.53 Allowed 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 177.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 29.8 m -101.65 48.54 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.782 0 CA-C-O 126.808 3.194 . . . . 0.0 111.207 175.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . 0.402 ' H ' ' C ' ' A' ' 13' ' ' ASP . 93.2 t80 -144.66 -49.21 0.26 Allowed 'General case' 0 CA--C 1.554 1.108 1 CA-C-N 107.072 -4.604 . . . . 0.0 102.585 177.103 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -75.84 -37.7 58.76 Favored 'General case' 0 CA--C 1.556 1.182 0 CA-C-N 119.848 1.203 . . . . 0.0 109.842 176.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -69.93 -23.25 63.18 Favored 'General case' 0 CA--C 1.576 1.972 0 CA-C-N 120.412 1.46 . . . . 0.0 110.798 176.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 m -81.65 -52.98 13.07 Favored 'Isoleucine or valine' 0 C--N 1.366 1.325 0 CA-C-N 119.892 1.224 . . . . 0.0 111.078 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 tptt . . . . . 0 CA--C 1.58 2.122 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 177.125 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 . . . . . 0 CA--C 1.561 1.367 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -51.05 -43.71 60.99 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.555 1.542 . . . . 0.0 114.838 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.48 13.55 1.95 Allowed 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 118.932 2.938 . . . . 0.0 118.932 177.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -145.27 19.79 1.56 Allowed 'General case' 0 CA--C 1.585 2.312 0 C-N-CA 128.717 2.807 . . . . 0.0 112.166 176.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.7 m170 -128.92 -49.05 1.23 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 128.596 2.759 . . . . 0.0 104.851 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.4 mtt -73.65 -52.29 13.86 Favored 'General case' 0 C--N 1.361 1.084 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 176.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.0 -33.73 73.71 Favored 'General case' 0 CA--C 1.561 1.375 0 CA-C-N 119.981 1.264 . . . . 0.0 112.022 176.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -65.3 -48.97 71.27 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -64.39 -57.62 8.79 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.501 0.72 . . . . 0.0 110.003 177.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.0 mt -46.66 -43.55 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 C-N-CA 124.76 1.224 . . . . 0.0 113.151 176.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.45 -25.19 57.57 Favored Glycine 0 CA--C 1.553 2.425 0 N-CA-C 116.506 1.362 . . . . 0.0 116.506 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -141.47 48.19 1.65 Allowed 'General case' 0 CA--C 1.574 1.871 0 C-N-CA 125.18 1.392 . . . . 0.0 111.528 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -137.57 -65.88 0.52 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 101.866 -3.383 . . . . 0.0 101.866 177.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.322 30.1 m -102.77 50.69 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.953 0 CA-C-O 127.034 3.302 . . . . 0.0 110.527 175.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -148.82 -48.82 0.15 Allowed 'General case' 0 CA--C 1.564 1.495 1 CA-C-N 106.791 -4.731 . . . . 0.0 101.283 177.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -70.6 -45.25 65.68 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-N 120.709 1.595 . . . . 0.0 108.663 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -71.34 -17.72 62.42 Favored 'General case' 0 CA--C 1.588 2.423 0 CA-C-N 119.206 0.912 . . . . 0.0 110.923 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.255 25.5 t -81.83 -54.4 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 126.127 1.771 . . . . 0.0 110.27 177.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.9 tttt . . . . . 0 CA--C 1.58 2.1 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 177.156 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 CA--C 1.568 1.645 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -50.61 -44.94 57.24 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 125.298 1.439 . . . . 0.0 114.877 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.01 14.46 1.4 Allowed 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 118.466 2.765 . . . . 0.0 118.466 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -146.19 23.01 1.35 Allowed 'General case' 0 CA--C 1.587 2.401 0 C-N-CA 129.078 2.951 . . . . 0.0 111.931 176.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -131.25 -49.96 1.01 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 128.98 2.912 . . . . 0.0 105.012 176.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.3 mtp -73.85 -52.51 12.78 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 176.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.29 -33.93 74.37 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-N 119.972 1.26 . . . . 0.0 111.973 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.86 -49.03 72.13 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -63.72 -58.5 6.68 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.78 0.832 . . . . 0.0 110.095 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.9 mt -46.2 -43.61 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.128 0 C-N-CA 124.775 1.23 . . . . 0.0 113.156 177.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.61 -26.41 59.85 Favored Glycine 0 CA--C 1.552 2.369 0 N-CA-C 116.471 1.349 . . . . 0.0 116.471 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -138.46 45.61 2.05 Favored 'General case' 0 CA--C 1.574 1.872 0 C-N-CA 125.335 1.454 . . . . 0.0 111.664 176.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -134.89 -65.45 0.62 Allowed 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 102.406 -3.183 . . . . 0.0 102.406 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 28.2 m -103.2 50.57 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.924 0 CA-C-O 127.021 3.296 . . . . 0.0 110.483 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -148.78 -48.75 0.15 Allowed 'General case' 0 CA--C 1.563 1.445 1 CA-C-N 106.802 -4.727 . . . . 0.0 101.284 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.29 -46.19 64.82 Favored 'General case' 0 C--N 1.368 1.413 0 CA-C-N 120.737 1.608 . . . . 0.0 108.521 176.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -71.72 -16.15 62.22 Favored 'General case' 0 CA--C 1.587 2.372 0 CA-C-N 119.691 1.132 . . . . 0.0 111.279 176.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.255 27.0 t -82.23 -54.03 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 126.058 1.743 . . . . 0.0 110.224 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.6 tttt . . . . . 0 CA--C 1.579 2.086 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 177.184 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 CA--C 1.57 1.739 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t -51.51 -45.47 62.91 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.84 12.3 1.79 Allowed 'General case' 0 CA--C 1.569 1.694 0 N-CA-C 118.576 2.806 . . . . 0.0 118.576 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -142.6 20.71 2.02 Favored 'General case' 0 CA--C 1.588 2.422 0 C-N-CA 129.107 2.963 . . . . 0.0 112.067 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -129.35 -50.9 1.18 Allowed 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 128.784 2.834 . . . . 0.0 104.821 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.3 mtp -71.93 -52.07 19.0 Favored 'General case' 0 C--N 1.36 1.046 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -61.29 -33.93 74.37 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-N 119.887 1.221 . . . . 0.0 111.992 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.25 -49.46 69.53 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -63.19 -57.53 10.19 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.894 0.878 . . . . 0.0 110.216 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -47.28 -43.72 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 C-N-CA 124.763 1.225 . . . . 0.0 112.83 176.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.79 -21.41 55.23 Favored Glycine 0 CA--C 1.553 2.456 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 176.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.267 14.6 ptmm? -141.21 40.71 1.78 Allowed 'General case' 0 CA--C 1.572 1.822 0 C-N-CA 125.561 1.544 . . . . 0.0 112.92 176.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -131.17 -65.63 0.77 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 102.602 -3.11 . . . . 0.0 102.602 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 28.8 m -102.64 47.6 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.847 0 CA-C-O 126.744 3.164 . . . . 0.0 111.22 175.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -144.0 -49.12 0.29 Allowed 'General case' 0 CA--C 1.554 1.105 1 CA-C-N 107.15 -4.568 . . . . 0.0 102.269 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -75.23 -37.67 60.95 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 120.045 1.293 . . . . 0.0 109.685 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -68.35 -27.09 65.95 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-N 120.5 1.5 . . . . 0.0 110.485 176.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.257 2.7 m -78.37 -52.85 15.0 Favored 'Isoleucine or valine' 0 C--N 1.365 1.276 0 CA-C-N 119.749 1.159 . . . . 0.0 111.655 177.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? . . . . . 0 CA--C 1.579 2.059 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 177.102 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 CA--C 1.565 1.533 0 N-CA-C 113.599 0.962 . . . . 0.0 113.599 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -51.45 -45.8 62.82 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.71 13.76 1.55 Allowed 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 118.854 2.909 . . . . 0.0 118.854 177.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -145.57 21.34 1.5 Allowed 'General case' 0 CA--C 1.586 2.336 0 C-N-CA 128.766 2.827 . . . . 0.0 112.155 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -130.42 -49.13 1.08 Allowed 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 128.766 2.826 . . . . 0.0 104.953 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.1 mtp -73.77 -52.22 13.88 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 104.931 -2.248 . . . . 0.0 104.931 176.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.17 -34.23 74.7 Favored 'General case' 0 CA--C 1.561 1.37 0 CA-C-N 119.995 1.27 . . . . 0.0 111.932 176.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.96 -48.88 72.47 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.62 -58.31 7.35 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.974 0.909 . . . . 0.0 110.012 177.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -46.71 -43.56 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 C-N-CA 124.787 1.235 . . . . 0.0 112.966 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.25 -23.5 57.72 Favored Glycine 0 CA--C 1.553 2.408 0 N-CA-C 116.717 1.447 . . . . 0.0 116.717 176.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -141.8 46.79 1.66 Allowed 'General case' 0 CA--C 1.574 1.874 0 C-N-CA 125.269 1.428 . . . . 0.0 111.466 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -136.39 -66.11 0.55 Allowed 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 102.284 -3.228 . . . . 0.0 102.284 177.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 29.1 m -102.7 47.81 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.862 0 CA-C-O 126.769 3.176 . . . . 0.0 111.108 175.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -144.24 -49.16 0.28 Allowed 'General case' 0 CA--C 1.554 1.123 1 CA-C-N 107.144 -4.571 . . . . 0.0 102.29 177.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.23 -37.91 60.85 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 119.975 1.261 . . . . 0.0 109.649 176.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -68.67 -25.55 64.86 Favored 'General case' 0 CA--C 1.579 2.067 0 CA-C-N 120.521 1.51 . . . . 0.0 110.693 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 2.8 m -79.73 -53.03 13.9 Favored 'Isoleucine or valine' 0 C--N 1.365 1.276 0 CA-C-N 119.714 1.143 . . . . 0.0 111.389 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.0 tptt . . . . . 0 CA--C 1.58 2.125 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 177.104 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 CA--C 1.571 1.766 0 CA-C-O 122.008 0.908 . . . . 0.0 113.05 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -51.85 -49.74 62.29 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.03 1.332 . . . . 0.0 113.253 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.09 21.23 0.34 Allowed 'General case' 0 CA--C 1.578 2.041 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 tmtp? -144.01 19.83 1.78 Allowed 'General case' 0 CA--C 1.595 2.7 0 C-N-CA 130.06 3.344 . . . . 0.0 111.621 176.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -130.36 -49.49 1.08 Allowed 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 130.02 3.328 . . . . 0.0 104.117 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 15.1 ptm -71.98 -52.6 16.3 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -62.33 -35.06 77.91 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 124.691 1.196 . . . . 0.0 112.096 176.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -64.86 -47.55 77.52 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -65.01 -58.48 5.99 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.731 0.812 . . . . 0.0 109.741 177.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.6 mt -46.04 -43.48 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 124.779 1.231 . . . . 0.0 113.222 177.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.38 -26.84 59.85 Favored Glycine 0 CA--C 1.551 2.293 0 N-CA-C 116.449 1.34 . . . . 0.0 116.449 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -138.55 46.11 2.02 Favored 'General case' 0 CA--C 1.573 1.852 0 C-N-CA 125.383 1.473 . . . . 0.0 111.529 176.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -135.1 -65.51 0.61 Allowed 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 102.464 -3.162 . . . . 0.0 102.464 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 27.3 m -103.08 50.0 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.932 0 CA-C-O 127.025 3.298 . . . . 0.0 110.579 175.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -147.73 -48.77 0.17 Allowed 'General case' 0 CA--C 1.562 1.44 1 CA-C-N 106.904 -4.68 . . . . 0.0 101.469 177.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -70.27 -45.5 66.27 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-N 120.436 1.471 . . . . 0.0 108.378 176.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -68.98 -23.84 64.16 Favored 'General case' 0 CA--C 1.587 2.389 0 CA-C-N 119.339 0.972 . . . . 0.0 110.24 176.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.272 25.1 t -74.97 -53.7 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 125.653 1.581 . . . . 0.0 110.628 177.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? . . . . . 0 CA--C 1.579 2.083 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 177.004 . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 CA--C 1.569 1.707 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 . . . . . . . . . 0 0 . 1 . 021 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -51.39 -45.02 62.33 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 178.026 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.78 14.64 1.27 Allowed 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 118.45 2.759 . . . . 0.0 118.45 177.013 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -145.97 22.19 1.41 Allowed 'General case' 0 CA--C 1.586 2.362 0 C-N-CA 129.04 2.936 . . . . 0.0 112.123 176.682 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -130.66 -50.1 1.06 Allowed 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 128.932 2.893 . . . . 0.0 104.86 176.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.4 mtp -73.39 -52.49 13.59 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 104.964 -2.235 . . . . 0.0 104.964 176.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.2 -33.94 74.28 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-N 119.969 1.259 . . . . 0.0 111.963 176.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.19 -49.18 70.79 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 176.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.25 -57.86 9.05 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.966 0.906 . . . . 0.0 110.16 177.078 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.9 mt -47.01 -43.71 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 C-N-CA 124.773 1.229 . . . . 0.0 112.864 176.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.8 -21.68 55.76 Favored Glycine 0 CA--C 1.553 2.407 0 N-CA-C 117.096 1.598 . . . . 0.0 117.096 176.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.269 14.6 ptmm? -141.0 40.66 1.8 Allowed 'General case' 0 CA--C 1.571 1.76 0 C-N-CA 125.598 1.559 . . . . 0.0 112.893 176.625 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -130.92 -65.88 0.77 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 102.588 -3.116 . . . . 0.0 102.588 177.346 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.326 30.1 m -102.85 49.04 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.84 0 CA-C-O 126.824 3.202 . . . . 0.0 110.948 175.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -144.68 -49.16 0.26 Allowed 'General case' 0 CA--C 1.552 1.021 1 CA-C-N 107.051 -4.613 . . . . 0.0 102.718 177.233 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -76.18 -37.98 57.19 Favored 'General case' 0 CA--C 1.559 1.29 0 CA-C-O 117.622 -1.18 . . . . 0.0 109.244 176.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -68.35 -26.2 65.47 Favored 'General case' 0 CA--C 1.577 1.999 0 CA-C-N 120.394 1.452 . . . . 0.0 110.768 176.506 . . . . . . . . 1 1 . 1 . 021 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 3.0 m -78.44 -52.87 14.93 Favored 'Isoleucine or valine' 0 C--N 1.366 1.286 0 CA-C-N 119.725 1.148 . . . . 0.0 111.416 177.682 . . . . . . . . 2 2 . 1 . 021 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt . . . . . 0 CA--C 1.577 1.99 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 177.133 . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 CA--C 1.569 1.699 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 0 0 . 1 . 022 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -54.4 -46.4 73.12 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.02 11.66 2.16 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 118.568 2.803 . . . . 0.0 118.568 177.012 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -141.05 18.95 2.28 Favored 'General case' 0 CA--C 1.585 2.309 0 C-N-CA 128.655 2.782 . . . . 0.0 112.304 176.648 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -129.3 -48.75 1.19 Allowed 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 128.456 2.703 . . . . 0.0 105.267 176.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.2 mtp -72.7 -51.7 18.24 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 104.943 -2.243 . . . . 0.0 104.943 176.448 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -61.42 -34.76 75.92 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 120.075 1.307 . . . . 0.0 111.899 176.46 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -64.72 -48.65 73.84 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -64.09 -58.15 7.49 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.039 0.936 . . . . 0.0 109.932 177.177 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.67 -44.01 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 C-N-CA 124.959 1.304 . . . . 0.0 112.97 177.03 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.25 -25.24 59.91 Favored Glycine 0 CA--C 1.551 2.32 0 N-CA-C 116.791 1.476 . . . . 0.0 116.791 176.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -137.58 43.03 2.31 Favored 'General case' 0 CA--C 1.576 1.948 0 C-N-CA 125.336 1.454 . . . . 0.0 111.677 176.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -131.59 -65.71 0.75 Allowed 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 102.609 -3.108 . . . . 0.0 102.609 177.273 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.332 28.5 m -102.32 47.4 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.881 0 CA-C-O 126.726 3.155 . . . . 0.0 111.218 175.778 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.7 t80 -143.8 -49.67 0.3 Allowed 'General case' 0 CA--C 1.555 1.159 1 CA-C-N 107.122 -4.581 . . . . 0.0 101.952 177.038 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -74.24 -38.18 63.57 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 120.18 1.355 . . . . 0.0 109.854 176.529 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -68.5 -25.35 64.91 Favored 'General case' 0 CA--C 1.578 2.045 0 CA-C-N 120.577 1.535 . . . . 0.0 110.806 176.471 . . . . . . . . 1 1 . 1 . 022 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.252 2.6 m -80.5 -53.12 13.3 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 CA-C-N 119.663 1.12 . . . . 0.0 111.593 177.727 . . . . . . . . 2 2 . 1 . 022 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.2 tttm . . . . . 0 CA--C 1.58 2.116 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 177.166 . . . . . . . . 0 0 . 1 . 023 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . 0.416 ' HB3' ' H ' ' A' ' 2' ' ' SER . 18.1 mm-40 . . . . . 0 CA--C 1.564 1.499 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 . . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 2' ' ' SER . . . . . 0.416 ' H ' ' HB3' ' A' ' 1' ' ' GLU . 7.9 t -54.21 -46.27 72.44 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.52 13.15 1.69 Allowed 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 118.942 2.941 . . . . 0.0 118.942 177.166 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -146.07 24.43 1.31 Allowed 'General case' 0 CA--C 1.588 2.41 0 C-N-CA 128.539 2.736 . . . . 0.0 111.58 176.548 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -132.89 -49.35 0.88 Allowed 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 128.609 2.763 . . . . 0.0 104.818 176.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.9 mtm -73.98 -52.89 11.36 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 104.712 -2.329 . . . . 0.0 104.712 176.372 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.45 -34.37 75.31 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-N 120.0 1.273 . . . . 0.0 112.006 176.477 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.99 -48.32 74.4 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -64.34 -58.14 7.35 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.911 0.884 . . . . 0.0 109.902 177.071 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -46.63 -43.47 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 C-N-CA 124.812 1.245 . . . . 0.0 112.99 177.035 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.64 -24.89 57.71 Favored Glycine 0 CA--C 1.552 2.402 0 N-CA-C 116.529 1.371 . . . . 0.0 116.529 176.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -141.53 48.15 1.65 Allowed 'General case' 0 CA--C 1.574 1.888 0 C-N-CA 125.228 1.411 . . . . 0.0 111.453 176.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -137.85 -66.15 0.5 Allowed 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 101.926 -3.361 . . . . 0.0 101.926 177.269 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.323 29.7 m -102.94 50.77 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 CA-C-O 127.023 3.297 . . . . 0.0 110.554 175.855 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -148.82 -48.93 0.15 Allowed 'General case' 0 CA--C 1.563 1.45 1 CA-C-N 106.828 -4.715 . . . . 0.0 101.398 177.207 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -70.79 -44.99 65.49 Favored 'General case' 0 C--N 1.368 1.406 0 CA-C-N 120.615 1.552 . . . . 0.0 108.679 176.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -71.64 -17.67 62.24 Favored 'General case' 0 CA--C 1.588 2.416 0 CA-C-N 119.359 0.981 . . . . 0.0 110.845 176.246 . . . . . . . . 1 1 . 1 . 023 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.258 25.5 t -81.5 -54.34 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 126.197 1.799 . . . . 0.0 110.201 177.616 . . . . . . . . 2 2 . 1 . 023 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.9 tttt . . . . . 0 CA--C 1.579 2.096 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 177.137 . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 CA--C 1.564 1.504 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 . . . . . . . . . 0 0 . 1 . 024 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -55.14 -46.87 75.69 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.56 11.58 2.44 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 177.075 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -141.45 19.88 2.22 Favored 'General case' 0 CA--C 1.585 2.319 0 C-N-CA 128.597 2.759 . . . . 0.0 112.31 176.58 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -129.52 -50.1 1.17 Allowed 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 128.575 2.75 . . . . 0.0 104.642 176.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 mtt -71.83 -52.46 17.38 Favored 'General case' 0 C--N 1.361 1.071 0 N-CA-C 105.372 -2.084 . . . . 0.0 105.372 176.472 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -61.56 -33.04 73.17 Favored 'General case' 0 CA--C 1.56 1.354 0 CA-C-N 120.019 1.282 . . . . 0.0 112.194 176.489 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -65.63 -51.88 56.16 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.147 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.295 7.9 ptm85 -65.04 -52.09 57.83 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 117.652 -1.166 . . . . 0.0 110.947 177.299 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -49.05 -44.75 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 CA-C-N 120.134 1.334 . . . . 0.0 112.697 177.06 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.77 -16.94 53.16 Favored Glycine 0 CA--C 1.555 2.563 0 N-CA-C 117.971 1.948 . . . . 0.0 117.971 176.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.254 22.9 pttp -142.99 38.47 1.44 Allowed 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 126.212 1.805 . . . . 0.0 113.399 176.884 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -129.21 -66.48 0.81 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 102.356 -3.201 . . . . 0.0 102.356 177.312 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.33 27.7 m -102.46 47.72 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.823 0 CA-C-O 126.729 3.157 . . . . 0.0 111.135 175.849 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -143.53 -49.64 0.31 Allowed 'General case' 0 CA--C 1.556 1.203 1 CA-C-N 107.201 -4.545 . . . . 0.0 101.919 177.04 . . . . . . . . 2 2 . 1 . 024 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -74.82 -38.63 62.0 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 120.232 1.378 . . . . 0.0 109.722 176.549 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -68.87 -22.78 64.17 Favored 'General case' 0 CA--C 1.575 1.94 0 CA-C-N 120.693 1.588 . . . . 0.0 111.194 176.484 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.98 -53.15 12.15 Favored 'Isoleucine or valine' 0 C--N 1.365 1.272 0 CA-C-N 119.875 1.216 . . . . 0.0 111.326 177.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.4 tttt . . . . . 0 CA--C 1.58 2.112 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 177.192 . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 CA--C 1.567 1.597 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 . . . . . . . . . 0 0 . 1 . 025 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -57.02 -48.4 78.59 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.6 12.86 1.84 Allowed 'General case' 0 CA--C 1.567 1.609 0 N-CA-C 118.217 2.673 . . . . 0.0 118.217 177.03 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -140.56 17.97 2.36 Favored 'General case' 0 CA--C 1.584 2.269 0 C-N-CA 128.59 2.756 . . . . 0.0 112.538 176.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -128.86 -49.56 1.23 Allowed 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 128.383 2.673 . . . . 0.0 104.753 176.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.4 mtt -71.53 -51.45 23.47 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 176.434 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -61.65 -34.52 75.85 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-N 120.035 1.289 . . . . 0.0 111.989 176.539 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.01 -48.81 72.6 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.014 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -63.76 -57.98 8.28 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.015 0.926 . . . . 0.0 109.968 177.096 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.2 mt -46.93 -43.63 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 C-N-CA 124.82 1.248 . . . . 0.0 112.931 176.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.18 -23.22 57.21 Favored Glycine 0 CA--C 1.553 2.411 0 N-CA-C 116.803 1.481 . . . . 0.0 116.803 176.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -141.98 46.68 1.65 Allowed 'General case' 0 CA--C 1.575 1.904 0 C-N-CA 125.279 1.432 . . . . 0.0 111.582 176.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -136.48 -65.75 0.56 Allowed 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 102.383 -3.191 . . . . 0.0 102.383 177.327 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 27.8 m -102.83 47.18 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.891 0 CA-C-O 126.716 3.15 . . . . 0.0 111.169 175.762 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -144.0 -49.25 0.29 Allowed 'General case' 0 CA--C 1.556 1.199 1 CA-C-N 107.146 -4.57 . . . . 0.0 101.958 177.046 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -74.73 -38.07 62.38 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 120.187 1.358 . . . . 0.0 109.869 176.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -68.77 -24.99 64.49 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 120.672 1.578 . . . . 0.0 110.853 176.463 . . . . . . . . 1 1 . 1 . 025 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.252 2.5 m -80.65 -53.1 13.28 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 CA-C-N 119.652 1.115 . . . . 0.0 111.6 177.703 . . . . . . . . 2 2 . 1 . 025 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.2 tttm . . . . . 0 CA--C 1.579 2.093 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 177.166 . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 CA--C 1.564 1.499 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 . . . . . . . . . 0 0 . 1 . 026 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -54.87 -46.59 74.75 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.34 11.59 2.34 Favored 'General case' 0 CA--C 1.566 1.569 0 N-CA-C 118.603 2.816 . . . . 0.0 118.603 177.078 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -141.09 18.77 2.28 Favored 'General case' 0 CA--C 1.584 2.287 0 C-N-CA 128.639 2.775 . . . . 0.0 112.381 176.625 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -129.27 -49.75 1.19 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 128.457 2.703 . . . . 0.0 104.914 177.042 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 mtm -71.9 -51.04 24.15 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 105.291 -2.114 . . . . 0.0 105.291 176.454 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -61.76 -35.03 76.95 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-N 120.102 1.319 . . . . 0.0 111.771 176.442 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -64.37 -48.48 75.33 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.8 mtp-105 -63.32 -59.1 5.16 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.387 1.075 . . . . 0.0 109.956 177.101 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.0 mt -46.4 -43.73 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 C-N-CA 124.955 1.302 . . . . 0.0 112.981 176.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.14 -25.69 60.25 Favored Glycine 0 CA--C 1.551 2.34 0 N-CA-C 116.617 1.407 . . . . 0.0 116.617 176.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -138.16 44.17 2.16 Favored 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 125.311 1.445 . . . . 0.0 111.744 176.621 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -132.69 -65.82 0.7 Allowed 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 102.457 -3.164 . . . . 0.0 102.457 177.326 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.328 30.4 m -102.5 48.11 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.847 0 CA-C-O 126.751 3.167 . . . . 0.0 111.106 175.809 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -144.29 -49.71 0.28 Allowed 'General case' 0 CA--C 1.554 1.115 1 CA-C-N 107.052 -4.613 . . . . 0.0 102.16 177.129 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -74.7 -37.71 62.54 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 120.049 1.295 . . . . 0.0 109.691 176.437 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -68.65 -25.75 64.98 Favored 'General case' 0 CA--C 1.577 2.008 0 CA-C-N 120.432 1.469 . . . . 0.0 110.75 176.467 . . . . . . . . 1 1 . 1 . 026 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 2.8 m -79.94 -53.01 13.83 Favored 'Isoleucine or valine' 0 C--N 1.366 1.293 0 C-N-CA 124.485 1.114 . . . . 0.0 111.319 177.717 . . . . . . . . 2 2 . 1 . 026 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 tptm . . . . . 0 CA--C 1.58 2.113 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 177.088 . . . . . . . . 0 0 . 1 . 027 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . 0.258 4.0 mp0 . . . . . 0 CA--C 1.567 1.625 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 . . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -49.78 -40.62 42.09 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 177.862 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.89 8.41 4.67 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 119.789 3.255 . . . . 0.0 119.789 177.267 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -141.87 19.69 2.14 Favored 'General case' 0 CA--C 1.585 2.315 0 C-N-CA 128.44 2.696 . . . . 0.0 111.919 176.35 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.2 m170 -127.89 -48.66 1.36 Allowed 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 128.497 2.719 . . . . 0.0 105.142 176.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.1 mtt -73.86 -52.14 13.97 Favored 'General case' 0 C--N 1.361 1.077 0 N-CA-C 105.072 -2.196 . . . . 0.0 105.072 176.434 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -60.85 -34.21 74.24 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-N 119.942 1.246 . . . . 0.0 111.968 176.491 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.96 -49.17 71.35 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -63.34 -58.65 6.41 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.865 0.866 . . . . 0.0 110.071 177.116 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -46.09 -43.71 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 C-N-CA 124.885 1.274 . . . . 0.0 113.154 176.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.54 -26.59 59.91 Favored Glycine 0 CA--C 1.552 2.397 0 N-CA-C 116.413 1.325 . . . . 0.0 116.413 176.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -138.42 45.76 2.05 Favored 'General case' 0 CA--C 1.574 1.866 0 C-N-CA 125.301 1.44 . . . . 0.0 111.635 176.622 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -135.02 -65.45 0.62 Allowed 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 102.39 -3.189 . . . . 0.0 102.39 177.366 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.322 28.8 m -103.4 51.04 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 CA-C-O 127.035 3.302 . . . . 0.0 110.339 175.772 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -148.99 -48.85 0.15 Allowed 'General case' 0 CA--C 1.56 1.36 1 CA-C-N 106.812 -4.722 . . . . 0.0 101.691 177.319 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -70.89 -45.96 63.41 Favored 'General case' 0 CA--C 1.562 1.409 0 CA-C-N 120.278 1.399 . . . . 0.0 108.366 176.457 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.1 mmmt -71.83 -16.71 62.17 Favored 'General case' 0 CA--C 1.587 2.395 0 CA-C-N 119.612 1.096 . . . . 0.0 110.987 176.226 . . . . . . . . 1 1 . 1 . 027 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.26 22.9 t -80.27 -54.03 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 125.964 1.706 . . . . 0.0 109.373 177.394 . . . . . . . . 2 2 . 1 . 027 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.0 tptt . . . . . 0 CA--C 1.58 2.119 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 176.93 . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 CA--C 1.568 1.639 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 . . . . . . . . . 0 0 . 1 . 028 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -54.32 -46.37 72.84 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 179.754 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.22 14.46 1.48 Allowed 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 118.328 2.714 . . . . 0.0 118.328 177.001 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -144.99 21.91 1.58 Allowed 'General case' 0 CA--C 1.586 2.338 0 C-N-CA 128.837 2.855 . . . . 0.0 112.093 176.697 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -131.36 -49.4 0.99 Allowed 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 128.775 2.83 . . . . 0.0 105.017 177.03 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 mtt -73.5 -52.2 14.44 Favored 'General case' 0 C--N 1.36 1.051 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 176.382 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -61.44 -34.37 75.31 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-N 120.061 1.3 . . . . 0.0 111.929 176.445 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.65 -48.97 72.83 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -63.77 -58.58 6.41 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.947 0.899 . . . . 0.0 110.012 177.154 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.18 -43.71 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 C-N-CA 124.869 1.268 . . . . 0.0 113.129 176.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.68 -26.18 59.69 Favored Glycine 0 CA--C 1.551 2.311 0 N-CA-C 116.523 1.369 . . . . 0.0 116.523 176.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -138.54 45.44 2.05 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 125.347 1.459 . . . . 0.0 111.625 176.555 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -134.61 -65.24 0.64 Allowed 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 102.495 -3.15 . . . . 0.0 102.495 177.286 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 29.2 m -103.58 50.5 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.915 0 CA-C-O 126.98 3.276 . . . . 0.0 110.38 175.815 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -148.26 -49.0 0.16 Allowed 'General case' 0 CA--C 1.561 1.397 1 CA-C-N 106.911 -4.677 . . . . 0.0 101.516 177.256 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -70.57 -45.48 65.31 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-N 120.43 1.468 . . . . 0.0 108.388 176.404 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -70.51 -19.59 62.91 Favored 'General case' 0 CA--C 1.591 2.52 0 CA-C-N 119.397 0.999 . . . . 0.0 110.71 176.193 . . . . . . . . 1 1 . 1 . 028 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.262 24.5 t -79.02 -53.97 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 125.931 1.692 . . . . 0.0 110.28 177.573 . . . . . . . . 2 2 . 1 . 028 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 tptm . . . . . 0 CA--C 1.579 2.072 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 177.098 . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 CA--C 1.568 1.653 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 . . . . . . . . . 0 0 . 1 . 029 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -54.31 -46.24 72.78 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 179.736 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.24 14.38 1.53 Allowed 'General case' 0 CA--C 1.568 1.66 0 N-CA-C 118.415 2.746 . . . . 0.0 118.415 177.019 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -145.12 22.01 1.56 Allowed 'General case' 0 CA--C 1.586 2.357 0 C-N-CA 128.708 2.803 . . . . 0.0 112.051 176.742 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -131.39 -49.38 0.99 Allowed 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 128.739 2.816 . . . . 0.0 105.019 176.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 mtt -73.61 -52.1 14.56 Favored 'General case' 0 C--N 1.359 1.003 0 N-CA-C 104.816 -2.291 . . . . 0.0 104.816 176.398 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.51 -34.36 75.38 Favored 'General case' 0 CA--C 1.56 1.345 0 CA-C-N 120.111 1.323 . . . . 0.0 111.889 176.424 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.8 -48.92 72.67 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.69 -58.47 6.81 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.949 0.9 . . . . 0.0 109.957 177.102 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.44 -43.5 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 C-N-CA 124.806 1.243 . . . . 0.0 113.033 176.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.56 -24.95 57.54 Favored Glycine 0 CA--C 1.553 2.442 0 N-CA-C 116.51 1.364 . . . . 0.0 116.51 176.862 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.257 2.9 ttmp? -142.06 48.8 1.58 Allowed 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 125.215 1.406 . . . . 0.0 111.564 176.58 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -137.84 -65.27 0.52 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 102.138 -3.282 . . . . 0.0 102.138 177.292 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.322 29.0 m -103.47 50.01 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.577 2.005 0 CA-C-O 127.028 3.299 . . . . 0.0 110.431 175.775 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -148.54 -48.33 0.15 Allowed 'General case' 0 CA--C 1.565 1.555 1 CA-C-N 106.841 -4.709 . . . . 0.0 101.164 177.292 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.33 -45.84 65.38 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-N 120.887 1.676 . . . . 0.0 108.615 176.384 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -70.36 -19.45 63.03 Favored 'General case' 0 CA--C 1.59 2.517 0 CA-C-N 119.417 1.008 . . . . 0.0 110.792 176.237 . . . . . . . . 1 1 . 1 . 029 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.261 31.8 t -79.92 -54.59 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 125.939 1.696 . . . . 0.0 110.713 177.668 . . . . . . . . 2 2 . 1 . 029 nuclear orig core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp . . . . . 0 CA--C 1.579 2.06 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 177.203 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.251 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -73.33 -156.8 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 122.084 0.945 . . . . 0.0 113.536 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -55.2 -46.98 75.91 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.21 13.72 1.76 Allowed 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 118.381 2.734 . . . . 0.0 118.381 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -143.96 20.44 1.79 Allowed 'General case' 0 CA--C 1.583 2.218 0 C-N-CA 128.513 2.725 . . . . 0.0 112.555 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -130.81 -49.28 1.04 Allowed 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 128.413 2.685 . . . . 0.0 104.564 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.6 mtt -72.26 -52.0 18.35 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -61.46 -34.74 75.95 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-N 119.969 1.259 . . . . 0.0 111.885 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.87 -48.3 74.76 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 176.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -64.1 -58.77 5.66 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.072 0.949 . . . . 0.0 109.735 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -46.18 -43.72 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 C-N-CA 124.923 1.289 . . . . 0.0 113.135 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.32 -27.22 60.24 Favored Glycine 0 CA--C 1.551 2.309 0 N-CA-C 116.4 1.32 . . . . 0.0 116.4 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -138.14 46.0 2.07 Favored 'General case' 0 CA--C 1.573 1.861 0 C-N-CA 125.235 1.414 . . . . 0.0 111.674 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -134.98 -65.5 0.62 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 102.113 -3.291 . . . . 0.0 102.113 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 30.4 m -102.71 50.66 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.897 0 CA-C-O 127.036 3.303 . . . . 0.0 110.59 175.845 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -148.6 -49.24 0.16 Allowed 'General case' 0 CA--C 1.562 1.426 1 CA-C-N 106.832 -4.713 . . . . 0.0 101.312 177.237 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -70.42 -45.04 66.7 Favored 'General case' 0 CA--C 1.562 1.436 0 CA-C-N 120.603 1.547 . . . . 0.0 108.678 176.491 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -71.44 -17.85 62.35 Favored 'General case' 0 CA--C 1.588 2.431 0 CA-C-N 119.264 0.938 . . . . 0.0 110.852 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.255 25.2 t -81.65 -54.31 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 126.16 1.784 . . . . 0.0 110.286 177.631 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.9 tttp -63.41 -14.26 48.46 Favored 'General case' 0 CA--C 1.58 2.114 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 177.146 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -86.69 -59.33 2.3 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 125.349 1.46 . . . . 0.0 111.933 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.724 0 O-C-N 120.419 -1.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.057 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -78.21 -156.85 0.1 Allowed 'General case' 0 CA--C 1.568 1.658 0 O-C-N 117.472 -3.268 . . . . 0.0 113.362 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -55.25 -51.65 65.94 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.36 1.064 . . . . 0.0 113.408 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.63 17.53 0.53 Allowed 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 117.851 2.537 . . . . 0.0 117.851 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -138.8 14.09 2.69 Favored 'General case' 0 CA--C 1.589 2.449 0 C-N-CA 129.39 3.076 . . . . 0.0 112.231 176.499 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -127.32 -45.95 1.5 Allowed 'General case' 0 CA--C 1.565 1.522 0 C-N-CA 129.57 3.148 . . . . 0.0 105.124 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.3 ptp -72.76 -51.46 19.01 Favored 'General case' 0 C--N 1.362 1.145 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 176.17 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -62.27 -35.76 79.99 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.906 1.283 . . . . 0.0 112.072 176.643 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.47 -48.2 76.13 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -63.98 -58.46 6.66 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.889 0.875 . . . . 0.0 109.987 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.2 mt -46.59 -43.44 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 C-N-CA 124.88 1.272 . . . . 0.0 112.963 176.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.13 -23.47 57.4 Favored Glycine 0 CA--C 1.553 2.452 0 N-CA-C 116.789 1.476 . . . . 0.0 116.789 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -141.87 45.94 1.67 Allowed 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 125.291 1.436 . . . . 0.0 111.698 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -136.22 -65.75 0.56 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 102.356 -3.201 . . . . 0.0 102.356 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.329 29.5 m -102.46 47.0 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.858 0 CA-C-O 126.732 3.158 . . . . 0.0 111.319 175.765 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -143.87 -50.04 0.3 Allowed 'General case' 0 CA--C 1.556 1.205 1 CA-C-N 107.138 -4.574 . . . . 0.0 101.415 177.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -73.13 -38.14 66.4 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 120.55 1.523 . . . . 0.0 110.018 176.451 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -68.48 -25.27 64.89 Favored 'General case' 0 CA--C 1.579 2.059 0 CA-C-N 120.54 1.518 . . . . 0.0 110.884 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.258 2.7 m -80.54 -53.41 12.7 Favored 'Isoleucine or valine' 0 C--N 1.366 1.286 0 CA-C-N 119.66 1.118 . . . . 0.0 111.68 177.713 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -62.02 -14.28 34.07 Favored 'General case' 0 CA--C 1.578 2.022 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -89.37 -60.52 1.93 Allowed 'General case' 0 C--N 1.356 0.891 0 C-N-CA 125.613 1.565 . . . . 0.0 111.329 177.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.776 0 O-C-N 120.423 -1.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -84.36 -147.79 0.1 Allowed 'General case' 0 CA--C 1.572 1.79 0 O-C-N 117.515 -3.24 . . . . 0.0 112.694 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -51.61 -44.47 62.89 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.236 1.414 . . . . 0.0 114.418 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.94 13.13 1.48 Allowed 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 118.248 2.684 . . . . 0.0 118.248 176.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -142.55 20.18 2.03 Favored 'General case' 0 CA--C 1.59 2.517 0 C-N-CA 129.358 3.063 . . . . 0.0 111.89 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -128.43 -50.79 1.28 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 128.947 2.899 . . . . 0.0 105.11 176.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.3 mtt -72.7 -51.95 17.22 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.48 -33.91 74.57 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 119.913 1.233 . . . . 0.0 111.78 176.462 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.2 -49.95 67.76 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.2 -57.51 11.22 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.971 0.908 . . . . 0.0 110.385 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.6 mt -47.58 -43.97 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 C-N-CA 124.807 1.243 . . . . 0.0 112.781 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.45 -20.11 54.84 Favored Glycine 0 CA--C 1.554 2.528 0 N-CA-C 117.216 1.646 . . . . 0.0 117.216 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.257 63.5 pttt -141.98 41.59 1.67 Allowed 'General case' 0 CA--C 1.572 1.804 0 C-N-CA 125.824 1.65 . . . . 0.0 112.866 176.765 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -132.62 -65.33 0.72 Allowed 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 177.367 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.326 28.7 m -103.57 50.0 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.909 0 CA-C-O 126.93 3.252 . . . . 0.0 110.493 175.816 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -147.79 -48.79 0.17 Allowed 'General case' 0 CA--C 1.563 1.453 1 CA-C-N 106.988 -4.642 . . . . 0.0 101.187 177.159 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.51 -45.63 65.24 Favored 'General case' 0 C--N 1.369 1.43 0 CA-C-N 120.747 1.612 . . . . 0.0 108.449 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -70.41 -19.04 63.02 Favored 'General case' 0 CA--C 1.591 2.519 0 CA-C-N 119.506 1.048 . . . . 0.0 110.877 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.258 25.4 t -80.26 -54.42 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 125.962 1.705 . . . . 0.0 110.543 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -63.58 -14.11 48.3 Favored 'General case' 0 CA--C 1.579 2.087 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 177.161 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -87.38 -59.78 2.16 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 125.376 1.471 . . . . 0.0 111.685 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.785 0 O-C-N 120.342 -1.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.24 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -75.62 -155.04 0.05 OUTLIER 'General case' 0 CA--C 1.568 1.653 0 O-C-N 124.14 0.9 . . . . 0.0 113.053 . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -55.41 -46.7 76.63 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.24 11.91 2.14 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 118.626 2.824 . . . . 0.0 118.626 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -141.69 19.97 2.17 Favored 'General case' 0 CA--C 1.586 2.328 0 C-N-CA 128.654 2.782 . . . . 0.0 112.258 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -130.19 -48.23 1.1 Allowed 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 128.561 2.744 . . . . 0.0 105.384 177.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.2 mtp -73.75 -51.85 15.14 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -61.27 -34.72 75.65 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 120.198 1.363 . . . . 0.0 111.914 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -64.46 -48.9 73.53 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -64.07 -58.08 7.72 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.867 0.867 . . . . 0.0 110.141 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -46.66 -43.79 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 C-N-CA 124.869 1.268 . . . . 0.0 112.974 176.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.16 -22.65 56.09 Favored Glycine 0 CA--C 1.554 2.47 0 N-CA-C 116.869 1.508 . . . . 0.0 116.869 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.269 24.5 pttm -141.79 43.51 1.71 Allowed 'General case' 0 CA--C 1.572 1.792 0 C-N-CA 125.52 1.528 . . . . 0.0 112.687 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -134.14 -65.1 0.67 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 102.574 -3.121 . . . . 0.0 102.574 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.32 28.3 m -103.89 50.45 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.907 0 CA-C-O 126.96 3.267 . . . . 0.0 110.383 175.829 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -148.4 -48.66 0.16 Allowed 'General case' 0 CA--C 1.562 1.407 1 CA-C-N 106.932 -4.667 . . . . 0.0 101.557 177.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -71.07 -45.54 63.58 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 120.413 1.46 . . . . 0.0 108.244 176.432 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -70.61 -19.2 62.86 Favored 'General case' 0 CA--C 1.59 2.486 0 CA-C-N 119.493 1.042 . . . . 0.0 110.748 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.264 24.5 t -79.03 -53.87 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 C-N-CA 125.961 1.704 . . . . 0.0 110.083 177.592 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -61.19 -19.61 61.8 Favored 'General case' 0 CA--C 1.578 2.051 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 177.05 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -82.68 -58.74 2.77 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 125.055 1.342 . . . . 0.0 112.335 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.78 0 O-C-N 120.461 -1.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.243 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -75.67 -155.09 0.05 OUTLIER 'General case' 0 CA--C 1.568 1.648 0 O-C-N 124.135 0.897 . . . . 0.0 113.005 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -55.34 -46.62 76.38 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.56 12.11 2.18 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 118.49 2.774 . . . . 0.0 118.49 177.049 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -141.6 19.74 2.19 Favored 'General case' 0 CA--C 1.586 2.329 0 C-N-CA 128.688 2.795 . . . . 0.0 112.293 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -129.78 -50.53 1.14 Allowed 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 128.591 2.756 . . . . 0.0 104.654 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 mtt -71.46 -51.77 22.02 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 105.215 -2.142 . . . . 0.0 105.215 176.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -61.32 -33.69 74.01 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-N 120.035 1.289 . . . . 0.0 112.045 176.485 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -64.59 -49.98 69.01 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -65.24 -57.09 9.36 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 118.17 -0.919 . . . . 0.0 109.947 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.7 mt -46.23 -43.78 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 C-N-CA 124.661 1.184 . . . . 0.0 113.262 177.11 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.63 -24.36 56.73 Favored Glycine 0 CA--C 1.553 2.46 0 N-CA-C 116.732 1.453 . . . . 0.0 116.732 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -142.16 47.75 1.6 Allowed 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 125.359 1.464 . . . . 0.0 111.497 176.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -137.62 -65.69 0.52 Allowed 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 102.234 -3.247 . . . . 0.0 102.234 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.321 28.8 m -103.73 50.22 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.921 0 CA-C-O 126.993 3.283 . . . . 0.0 110.431 175.808 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -148.17 -48.96 0.16 Allowed 'General case' 0 CA--C 1.561 1.382 1 CA-C-N 106.957 -4.656 . . . . 0.0 101.425 177.298 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -70.79 -45.14 65.21 Favored 'General case' 0 CA--C 1.562 1.44 0 CA-C-N 120.637 1.562 . . . . 0.0 108.364 176.42 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -70.33 -20.04 63.02 Favored 'General case' 0 CA--C 1.59 2.51 0 CA-C-N 119.491 1.042 . . . . 0.0 110.675 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.261 24.2 t -78.61 -54.73 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 125.961 1.704 . . . . 0.0 110.088 177.555 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -64.95 -10.29 28.0 Favored 'General case' 0 CA--C 1.577 1.984 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 177.118 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -88.83 -60.2 2.02 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 125.314 1.446 . . . . 0.0 111.52 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.712 0 O-C-N 120.326 -1.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.249 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -75.65 -155.24 0.05 OUTLIER 'General case' 0 CA--C 1.568 1.638 0 O-C-N 124.113 0.883 . . . . 0.0 113.119 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -54.73 -46.01 74.19 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.96 13.49 1.73 Allowed 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 118.679 2.844 . . . . 0.0 118.679 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -144.43 21.11 1.7 Allowed 'General case' 0 CA--C 1.585 2.289 0 C-N-CA 128.508 2.723 . . . . 0.0 112.272 176.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -130.65 -48.72 1.05 Allowed 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 128.66 2.784 . . . . 0.0 105.058 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.6 mtt -73.88 -52.04 14.26 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -61.22 -34.26 74.82 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 120.057 1.299 . . . . 0.0 111.87 176.374 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.84 -49.82 69.1 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -62.5 -57.54 10.81 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.042 0.937 . . . . 0.0 110.396 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -47.53 -44.01 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 C-N-CA 124.827 1.251 . . . . 0.0 112.747 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.25 -20.83 55.59 Favored Glycine 0 CA--C 1.554 2.504 0 N-CA-C 117.101 1.6 . . . . 0.0 117.101 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.256 63.7 pttt -141.37 41.48 1.76 Allowed 'General case' 0 CA--C 1.572 1.806 0 C-N-CA 125.782 1.633 . . . . 0.0 112.967 176.73 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -132.38 -65.71 0.72 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 102.165 -3.272 . . . . 0.0 102.165 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 30.2 m -102.9 50.63 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.898 0 CA-C-O 126.96 3.267 . . . . 0.0 110.549 175.908 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -148.31 -49.12 0.16 Allowed 'General case' 0 CA--C 1.562 1.431 1 CA-C-N 106.908 -4.678 . . . . 0.0 101.289 177.176 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -70.7 -45.17 65.46 Favored 'General case' 0 CA--C 1.563 1.449 0 CA-C-N 120.709 1.595 . . . . 0.0 108.525 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -71.13 -17.77 62.54 Favored 'General case' 0 CA--C 1.588 2.407 0 CA-C-N 119.332 0.969 . . . . 0.0 110.985 176.224 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.256 25.1 t -81.83 -54.49 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 126.212 1.805 . . . . 0.0 110.325 177.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -63.6 -13.84 45.85 Favored 'General case' 0 CA--C 1.579 2.061 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -86.89 -59.3 2.3 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.349 1.46 . . . . 0.0 111.951 177.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.72 0 O-C-N 120.467 -1.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.233 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -75.45 -155.09 0.05 OUTLIER 'General case' 0 CA--C 1.568 1.643 0 O-C-N 124.143 0.902 . . . . 0.0 113.09 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -55.31 -46.84 76.28 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.98 11.82 2.07 Favored 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 118.682 2.845 . . . . 0.0 118.682 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -141.7 19.94 2.17 Favored 'General case' 0 CA--C 1.585 2.31 0 C-N-CA 128.661 2.784 . . . . 0.0 112.295 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -130.27 -48.15 1.09 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 128.561 2.744 . . . . 0.0 105.417 177.022 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.5 mtm -73.79 -51.81 15.19 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 104.724 -2.324 . . . . 0.0 104.724 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -61.46 -34.68 75.85 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 120.109 1.322 . . . . 0.0 111.914 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.54 -48.81 73.7 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.86 -58.56 6.42 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.957 0.903 . . . . 0.0 110.015 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -46.25 -43.73 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 C-N-CA 124.893 1.277 . . . . 0.0 113.091 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.68 -26.18 59.7 Favored Glycine 0 CA--C 1.552 2.344 0 N-CA-C 116.531 1.373 . . . . 0.0 116.531 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -138.36 45.06 2.09 Favored 'General case' 0 CA--C 1.574 1.897 0 C-N-CA 125.357 1.463 . . . . 0.0 111.59 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -134.04 -65.68 0.65 Allowed 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 102.439 -3.171 . . . . 0.0 102.439 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 29.2 m -103.43 50.99 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.883 0 CA-C-O 127.003 3.287 . . . . 0.0 110.382 175.806 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -148.45 -49.21 0.16 Allowed 'General case' 0 CA--C 1.561 1.377 1 CA-C-N 106.874 -4.693 . . . . 0.0 101.496 177.29 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.7 -45.37 65.09 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-N 120.345 1.43 . . . . 0.0 108.277 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -71.14 -17.71 62.54 Favored 'General case' 0 CA--C 1.588 2.431 0 CA-C-N 119.353 0.979 . . . . 0.0 110.912 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.26 24.0 t -80.95 -54.08 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 126.032 1.733 . . . . 0.0 109.978 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.33 -16.49 54.63 Favored 'General case' 0 CA--C 1.579 2.085 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -85.91 -59.53 2.28 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 125.251 1.42 . . . . 0.0 111.791 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 O-C-N 120.401 -1.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.282 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -75.03 -158.37 0.08 Allowed 'General case' 0 CA--C 1.567 1.614 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -56.47 -52.79 63.39 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.368 1.067 . . . . 0.0 113.111 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.16 17.56 0.45 Allowed 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 117.856 2.539 . . . . 0.0 117.856 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -138.21 13.92 2.82 Favored 'General case' 0 CA--C 1.589 2.463 0 C-N-CA 129.392 3.077 . . . . 0.0 112.311 176.457 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -126.69 -48.12 1.53 Allowed 'General case' 0 CA--C 1.563 1.479 0 C-N-CA 129.607 3.163 . . . . 0.0 104.351 176.751 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -70.36 -52.47 22.29 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 176.266 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -62.03 -34.12 75.64 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-N 119.74 1.155 . . . . 0.0 112.462 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.17 -50.4 66.09 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.3 32.4 ptt180 -66.33 -53.4 36.79 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 117.683 -1.151 . . . . 0.0 110.48 177.181 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -47.93 -43.98 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 CA-C-N 120.141 1.337 . . . . 0.0 112.945 177.064 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.47 -21.9 55.25 Favored Glycine 0 CA--C 1.554 2.499 0 N-CA-C 117.238 1.655 . . . . 0.0 117.238 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -142.87 44.87 1.59 Allowed 'General case' 0 CA--C 1.576 1.949 0 C-N-CA 125.613 1.565 . . . . 0.0 112.153 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -135.47 -65.84 0.59 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 102.233 -3.247 . . . . 0.0 102.233 177.293 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.327 28.8 m -102.55 47.24 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.878 0 CA-C-O 126.73 3.157 . . . . 0.0 111.169 175.782 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -143.75 -49.54 0.3 Allowed 'General case' 0 CA--C 1.556 1.198 1 CA-C-N 107.175 -4.557 . . . . 0.0 101.751 177.042 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.17 -38.66 63.61 Favored 'General case' 0 C--N 1.362 1.141 0 CA-C-N 120.262 1.392 . . . . 0.0 109.891 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -68.23 -25.22 65.09 Favored 'General case' 0 CA--C 1.578 2.032 0 CA-C-N 120.617 1.553 . . . . 0.0 110.904 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.25 2.6 m -80.57 -52.9 13.67 Favored 'Isoleucine or valine' 0 C--N 1.365 1.242 0 CA-C-N 119.697 1.135 . . . . 0.0 111.626 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.26 -16.06 41.41 Favored 'General case' 0 CA--C 1.58 2.102 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 177.159 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -88.16 -60.47 1.96 Allowed 'General case' 0 C--N 1.356 0.876 0 C-N-CA 125.663 1.585 . . . . 0.0 111.064 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.748 0 O-C-N 120.375 -1.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.278 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -74.58 -161.59 0.13 Allowed 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -57.22 -53.84 53.58 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 124.148 0.979 . . . . 0.0 113.059 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.37 20.55 0.4 Allowed 'General case' 0 CA--C 1.574 1.879 0 N-CA-C 117.38 2.363 . . . . 0.0 117.38 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -141.53 15.41 2.18 Favored 'General case' 0 CA--C 1.589 2.467 0 C-N-CA 129.484 3.114 . . . . 0.0 112.295 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -128.48 -46.68 1.31 Allowed 'General case' 0 CA--C 1.566 1.566 0 C-N-CA 129.721 3.209 . . . . 0.0 104.746 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -72.63 -52.32 15.88 Favored 'General case' 0 C--N 1.363 1.163 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 176.136 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.72 -35.58 78.46 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 119.939 1.245 . . . . 0.0 112.047 176.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.3 -49.43 71.8 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -63.01 -57.41 10.78 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.893 0.877 . . . . 0.0 110.468 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.8 mt -47.39 -44.04 8.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 C-N-CA 124.902 1.281 . . . . 0.0 112.798 176.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.65 -20.1 55.8 Favored Glycine 0 CA--C 1.554 2.52 0 N-CA-C 117.329 1.692 . . . . 0.0 117.329 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.257 63.9 pttt -141.16 39.55 1.77 Allowed 'General case' 0 CA--C 1.572 1.793 0 C-N-CA 125.777 1.631 . . . . 0.0 112.978 176.792 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.406 ' C ' ' H ' ' A' ' 15' ' ' TYR . 11.3 t70 -130.0 -66.55 0.78 Allowed 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 102.253 -3.24 . . . . 0.0 102.253 177.303 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.33 29.1 m -101.63 47.98 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.838 0 CA-C-O 126.705 3.145 . . . . 0.0 111.341 175.868 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.406 ' H ' ' C ' ' A' ' 13' ' ' ASP . 93.8 t80 -144.17 -49.62 0.29 Allowed 'General case' 0 CA--C 1.556 1.185 1 CA-C-N 107.14 -4.573 . . . . 0.0 102.099 177.06 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.05 -38.11 61.49 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 120.191 1.36 . . . . 0.0 109.962 176.531 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -69.46 -22.86 63.61 Favored 'General case' 0 CA--C 1.576 1.946 0 CA-C-N 120.618 1.554 . . . . 0.0 110.981 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.78 -53.2 12.13 Favored 'Isoleucine or valine' 0 C--N 1.366 1.294 0 CA-C-N 119.883 1.22 . . . . 0.0 111.338 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -61.59 -15.63 40.8 Favored 'General case' 0 CA--C 1.58 2.102 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -88.85 -60.54 1.93 Allowed 'General case' 0 C--N 1.356 0.877 0 C-N-CA 125.528 1.531 . . . . 0.0 111.334 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.731 0 O-C-N 120.418 -1.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -77.48 -151.83 0.05 OUTLIER 'General case' 0 CA--C 1.57 1.735 0 O-C-N 124.213 0.946 . . . . 0.0 113.215 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -51.23 -45.46 61.95 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.4 14.66 1.17 Allowed 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 118.513 2.783 . . . . 0.0 118.513 177.035 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -145.99 22.28 1.4 Allowed 'General case' 0 CA--C 1.587 2.393 0 C-N-CA 128.993 2.917 . . . . 0.0 112.11 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -130.82 -50.13 1.04 Allowed 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 128.947 2.899 . . . . 0.0 104.861 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.8 mtm -73.39 -52.42 13.86 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 176.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.37 -33.96 74.53 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 119.947 1.248 . . . . 0.0 111.916 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.05 -48.88 72.24 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.63 -58.27 7.46 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.998 0.919 . . . . 0.0 110.007 177.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -46.68 -43.64 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 C-N-CA 124.806 1.243 . . . . 0.0 112.982 176.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.04 -23.92 57.76 Favored Glycine 0 CA--C 1.551 2.343 0 N-CA-C 116.707 1.443 . . . . 0.0 116.707 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -141.68 47.19 1.66 Allowed 'General case' 0 CA--C 1.574 1.902 0 C-N-CA 125.219 1.408 . . . . 0.0 111.544 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -136.49 -65.86 0.55 Allowed 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 102.28 -3.23 . . . . 0.0 102.28 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.326 28.4 m -102.52 47.13 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.91 0 CA-C-O 126.733 3.159 . . . . 0.0 111.2 175.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -143.98 -49.51 0.29 Allowed 'General case' 0 CA--C 1.556 1.19 1 CA-C-N 107.136 -4.574 . . . . 0.0 101.852 177.09 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.32 -37.79 63.5 Favored 'General case' 0 C--N 1.362 1.118 0 CA-C-N 120.342 1.428 . . . . 0.0 110.001 176.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -68.41 -26.86 65.75 Favored 'General case' 0 CA--C 1.577 1.989 0 CA-C-N 120.597 1.544 . . . . 0.0 110.536 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 2.5 m -79.17 -52.97 14.3 Favored 'Isoleucine or valine' 0 C--N 1.364 1.226 0 CA-C-N 119.634 1.106 . . . . 0.0 111.869 177.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.34 -16.03 42.0 Favored 'General case' 0 CA--C 1.579 2.09 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -87.47 -59.42 2.25 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 125.427 1.491 . . . . 0.0 111.555 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.764 0 O-C-N 120.46 -1.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -77.16 -152.38 0.05 OUTLIER 'General case' 0 CA--C 1.57 1.746 0 O-C-N 124.203 0.939 . . . . 0.0 113.331 . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -52.14 -45.71 65.12 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 178.311 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.03 12.12 1.95 Allowed 'General case' 0 CA--C 1.568 1.64 0 N-CA-C 118.448 2.759 . . . . 0.0 118.448 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -142.58 21.71 2.01 Favored 'General case' 0 CA--C 1.589 2.458 0 C-N-CA 129.092 2.957 . . . . 0.0 111.919 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -130.37 -49.99 1.09 Allowed 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 128.865 2.866 . . . . 0.0 105.09 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 mtt -73.04 -52.01 15.96 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 105.099 -2.186 . . . . 0.0 105.099 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -61.55 -33.92 74.67 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 119.898 1.226 . . . . 0.0 111.868 176.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.19 -48.69 72.55 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -64.19 -58.16 7.4 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.76 0.824 . . . . 0.0 109.802 177.105 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -46.52 -43.53 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 C-N-CA 124.802 1.241 . . . . 0.0 113.051 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.74 -24.26 57.0 Favored Glycine 0 CA--C 1.554 2.475 0 N-CA-C 116.639 1.415 . . . . 0.0 116.639 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -142.15 48.36 1.58 Allowed 'General case' 0 CA--C 1.574 1.903 0 C-N-CA 125.224 1.41 . . . . 0.0 111.4 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -138.2 -65.54 0.51 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 102.329 -3.212 . . . . 0.0 102.329 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.321 27.6 m -103.75 49.95 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.96 0 CA-C-O 127.007 3.289 . . . . 0.0 110.5 175.773 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -148.36 -48.47 0.16 Allowed 'General case' 0 CA--C 1.563 1.479 1 CA-C-N 106.884 -4.689 . . . . 0.0 101.3 177.234 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.57 -45.7 64.9 Favored 'General case' 0 C--N 1.368 1.391 0 CA-C-N 120.732 1.605 . . . . 0.0 108.513 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -70.75 -19.01 62.77 Favored 'General case' 0 CA--C 1.59 2.485 0 CA-C-N 119.534 1.061 . . . . 0.0 110.836 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.26 27.6 t -79.89 -54.28 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 125.964 1.706 . . . . 0.0 110.494 177.639 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -63.48 -14.34 49.9 Favored 'General case' 0 CA--C 1.58 2.1 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 177.197 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -86.08 -59.27 2.34 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 125.278 1.431 . . . . 0.0 111.998 177.821 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.744 0 O-C-N 120.469 -1.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.273 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.03 -161.79 0.13 Allowed 'General case' 0 CA--C 1.562 1.433 0 CA-C-O 122.757 1.265 . . . . 0.0 113.738 . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -57.12 -53.9 52.87 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.607 1.163 . . . . 0.0 112.65 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.74 19.19 0.4 Allowed 'General case' 0 CA--C 1.573 1.834 0 N-CA-C 117.482 2.401 . . . . 0.0 117.482 176.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -138.69 12.56 2.71 Favored 'General case' 0 CA--C 1.586 2.354 0 C-N-CA 129.201 3.001 . . . . 0.0 112.609 176.552 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . 0.401 ' O ' ' HG2' ' A' ' 9' ' ' ARG . 42.7 t-80 -126.69 -47.15 1.55 Allowed 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 129.273 3.029 . . . . 0.0 104.184 176.638 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -70.18 -51.7 29.09 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 176.295 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -61.99 -35.55 78.84 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.754 1.221 . . . . 0.0 112.232 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.92 -47.95 75.9 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 123.352 0.661 . . . . 0.0 109.303 176.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . 0.401 ' HG2' ' O ' ' A' ' 5' ' ' HIS . 6.0 mmp_? -64.82 -57.86 7.75 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.683 0.793 . . . . 0.0 109.672 177.121 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.8 mt -46.66 -43.42 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 C-N-CA 124.8 1.24 . . . . 0.0 113.016 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.43 -24.42 56.06 Favored Glycine 0 CA--C 1.554 2.495 0 N-CA-C 116.615 1.406 . . . . 0.0 116.615 176.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -142.22 48.16 1.58 Allowed 'General case' 0 CA--C 1.575 1.934 0 C-N-CA 125.301 1.44 . . . . 0.0 111.471 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -138.63 -65.34 0.5 Allowed 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 102.064 -3.31 . . . . 0.0 102.064 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.297 33.0 m -103.63 51.26 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.862 0 CA-C-O 127.176 3.369 . . . . 0.0 110.365 175.703 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -150.73 -48.43 0.12 Allowed 'General case' 0 CA--C 1.562 1.409 1 CA-C-N 106.874 -4.694 . . . . 0.0 101.849 177.277 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -71.83 -45.38 61.64 Favored 'General case' 0 C--N 1.366 1.312 0 CA-C-N 120.459 1.481 . . . . 0.0 108.906 176.621 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -75.18 -11.13 60.01 Favored 'General case' 0 CA--C 1.588 2.42 0 CA-C-N 119.83 1.196 . . . . 0.0 111.281 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.6 t -85.98 -54.19 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 126.402 1.881 . . . . 0.0 109.731 177.495 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -63.76 -13.96 48.36 Favored 'General case' 0 CA--C 1.579 2.062 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -88.15 -59.43 2.24 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 125.334 1.453 . . . . 0.0 111.647 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.789 0 O-C-N 120.392 -1.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -78.55 -153.56 0.07 Allowed 'General case' 0 CA--C 1.569 1.68 0 O-C-N 117.462 -3.274 . . . . 0.0 112.964 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -54.1 -46.04 72.0 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.4 12.03 2.15 Favored 'General case' 0 CA--C 1.567 1.632 0 N-CA-C 118.557 2.799 . . . . 0.0 118.557 176.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -141.84 20.14 2.15 Favored 'General case' 0 CA--C 1.586 2.364 0 C-N-CA 128.735 2.814 . . . . 0.0 112.18 176.628 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -130.18 -49.98 1.1 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 128.585 2.754 . . . . 0.0 104.966 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.3 mtp -72.08 -51.6 20.79 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 105.05 -2.204 . . . . 0.0 105.05 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -61.38 -33.42 73.62 Favored 'General case' 0 CA--C 1.561 1.393 0 CA-C-N 120.033 1.288 . . . . 0.0 111.947 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.73 -50.2 67.83 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -64.52 -57.81 8.15 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 118.409 -0.805 . . . . 0.0 109.997 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.0 mt -45.51 -43.85 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 C-N-CA 124.672 1.189 . . . . 0.0 113.534 177.123 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.42 -26.74 59.82 Favored Glycine 0 CA--C 1.552 2.402 0 N-CA-C 116.525 1.37 . . . . 0.0 116.525 176.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -138.56 45.69 2.04 Favored 'General case' 0 CA--C 1.575 1.917 0 C-N-CA 125.344 1.457 . . . . 0.0 111.601 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -134.74 -65.01 0.65 Allowed 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 102.487 -3.153 . . . . 0.0 102.487 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.323 27.7 m -103.61 50.22 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.933 0 CA-C-O 126.991 3.281 . . . . 0.0 110.427 175.765 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -148.61 -48.88 0.15 Allowed 'General case' 0 CA--C 1.562 1.434 1 CA-C-N 106.918 -4.674 . . . . 0.0 101.32 177.186 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -70.34 -45.81 65.43 Favored 'General case' 0 C--N 1.368 1.395 0 CA-C-N 120.658 1.572 . . . . 0.0 108.622 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -71.41 -18.32 62.35 Favored 'General case' 0 CA--C 1.59 2.486 0 CA-C-N 119.701 1.137 . . . . 0.0 110.924 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.257 25.0 t -79.49 -54.27 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 125.928 1.691 . . . . 0.0 109.999 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.54 -12.12 41.36 Favored 'General case' 0 CA--C 1.581 2.135 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 177.044 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -83.4 -59.01 2.59 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.554 1.542 . . . . 0.0 111.535 177.736 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.734 0 O-C-N 120.527 -1.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.234 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.413 ' HB3' ' H ' ' A' ' 2' ' ' SER 0.264 4.0 mp0 52.77 -148.05 0.44 Allowed 'General case' 0 CA--C 1.566 1.587 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.413 ' H ' ' HB3' ' A' ' 1' ' ' GLU . 5.8 t -53.3 -41.17 65.34 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 177.819 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.09 11.43 2.78 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 119.669 3.211 . . . . 0.0 119.669 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -146.55 24.03 1.25 Allowed 'General case' 0 CA--C 1.586 2.331 0 C-N-CA 128.447 2.699 . . . . 0.0 111.552 176.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -131.81 -49.55 0.96 Allowed 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 128.758 2.823 . . . . 0.0 104.768 176.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.2 mtt -73.84 -52.71 12.14 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 176.321 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.21 -34.09 74.54 Favored 'General case' 0 CA--C 1.561 1.373 0 CA-C-N 119.963 1.256 . . . . 0.0 111.841 176.501 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.11 -48.88 72.07 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.67 -58.31 7.31 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.932 0.893 . . . . 0.0 109.976 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.62 -43.53 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 C-N-CA 124.814 1.246 . . . . 0.0 112.96 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.72 -24.39 57.13 Favored Glycine 0 CA--C 1.553 2.445 0 N-CA-C 116.608 1.403 . . . . 0.0 116.608 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -141.97 48.25 1.6 Allowed 'General case' 0 CA--C 1.573 1.849 0 C-N-CA 125.278 1.431 . . . . 0.0 111.433 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -138.13 -65.89 0.5 Allowed 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 102.172 -3.27 . . . . 0.0 102.172 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.318 29.0 m -103.69 51.06 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.915 0 CA-C-O 127.03 3.3 . . . . 0.0 110.273 175.827 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -149.09 -48.66 0.14 Allowed 'General case' 0 CA--C 1.562 1.432 1 CA-C-N 106.844 -4.707 . . . . 0.0 101.654 177.317 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -71.07 -45.8 63.11 Favored 'General case' 0 CA--C 1.562 1.404 0 CA-C-N 120.352 1.433 . . . . 0.0 108.415 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -71.71 -16.72 62.24 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-N 119.516 1.053 . . . . 0.0 110.955 176.156 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.261 24.5 t -80.81 -53.76 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 C-N-CA 126.019 1.727 . . . . 0.0 109.693 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -61.08 -19.82 61.88 Favored 'General case' 0 CA--C 1.578 2.048 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -83.73 -59.49 2.41 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 125.169 1.388 . . . . 0.0 111.741 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.739 0 O-C-N 120.332 -1.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.23 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -74.65 -161.94 0.15 Allowed 'General case' 0 CA--C 1.564 1.499 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -57.16 -53.94 52.44 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.148 0.979 . . . . 0.0 113.02 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.21 20.44 0.39 Allowed 'General case' 0 CA--C 1.574 1.875 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -141.35 15.81 2.21 Favored 'General case' 0 CA--C 1.589 2.479 0 C-N-CA 129.387 3.075 . . . . 0.0 112.345 176.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -128.66 -48.98 1.26 Allowed 'General case' 0 CA--C 1.563 1.46 0 C-N-CA 129.729 3.211 . . . . 0.0 104.076 176.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -70.27 -52.36 23.52 Favored 'General case' 0 C--N 1.363 1.181 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 176.209 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -61.68 -34.7 76.19 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-N 119.809 1.186 . . . . 0.0 112.243 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.19 -49.44 72.02 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.44 0.696 . . . . 0.0 109.192 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -65.78 -56.98 9.13 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.053 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -46.12 -43.94 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 124.743 1.217 . . . . 0.0 113.29 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.01 -24.11 57.93 Favored Glycine 0 CA--C 1.553 2.429 0 N-CA-C 116.847 1.499 . . . . 0.0 116.847 176.962 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -141.44 46.3 1.71 Allowed 'General case' 0 CA--C 1.575 1.907 0 C-N-CA 125.39 1.476 . . . . 0.0 111.609 176.617 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.402 ' C ' ' H ' ' A' ' 15' ' ' TYR . 11.4 t70 -135.82 -67.16 0.53 Allowed 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 177.239 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 29.8 m -101.65 48.54 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.782 0 CA-C-O 126.808 3.194 . . . . 0.0 111.207 175.896 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . 0.402 ' H ' ' C ' ' A' ' 13' ' ' ASP . 93.2 t80 -144.66 -49.21 0.26 Allowed 'General case' 0 CA--C 1.554 1.108 1 CA-C-N 107.072 -4.604 . . . . 0.0 102.585 177.103 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -75.84 -37.7 58.76 Favored 'General case' 0 CA--C 1.556 1.182 0 CA-C-N 119.848 1.203 . . . . 0.0 109.842 176.458 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -69.93 -23.25 63.18 Favored 'General case' 0 CA--C 1.576 1.972 0 CA-C-N 120.412 1.46 . . . . 0.0 110.798 176.465 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 m -81.65 -52.98 13.07 Favored 'Isoleucine or valine' 0 C--N 1.366 1.325 0 CA-C-N 119.892 1.224 . . . . 0.0 111.078 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -60.51 -18.03 49.29 Favored 'General case' 0 CA--C 1.58 2.122 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 177.125 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -86.47 -60.09 2.1 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 125.298 1.439 . . . . 0.0 111.602 177.646 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 O-C-N 120.452 -1.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.207 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 46.97 -137.73 0.72 Allowed 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -51.05 -43.71 60.99 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.555 1.542 . . . . 0.0 114.838 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.48 13.55 1.95 Allowed 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 118.932 2.938 . . . . 0.0 118.932 177.132 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -145.27 19.79 1.56 Allowed 'General case' 0 CA--C 1.585 2.312 0 C-N-CA 128.717 2.807 . . . . 0.0 112.166 176.63 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.7 m170 -128.92 -49.05 1.23 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 128.596 2.759 . . . . 0.0 104.851 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.4 mtt -73.65 -52.29 13.86 Favored 'General case' 0 C--N 1.361 1.084 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 176.376 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.0 -33.73 73.71 Favored 'General case' 0 CA--C 1.561 1.375 0 CA-C-N 119.981 1.264 . . . . 0.0 112.022 176.478 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -65.3 -48.97 71.27 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -64.39 -57.62 8.79 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.501 0.72 . . . . 0.0 110.003 177.133 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.0 mt -46.66 -43.55 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 C-N-CA 124.76 1.224 . . . . 0.0 113.151 176.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.45 -25.19 57.57 Favored Glycine 0 CA--C 1.553 2.425 0 N-CA-C 116.506 1.362 . . . . 0.0 116.506 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -141.47 48.19 1.65 Allowed 'General case' 0 CA--C 1.574 1.871 0 C-N-CA 125.18 1.392 . . . . 0.0 111.528 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -137.57 -65.88 0.52 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 101.866 -3.383 . . . . 0.0 101.866 177.278 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.322 30.1 m -102.77 50.69 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.953 0 CA-C-O 127.034 3.302 . . . . 0.0 110.527 175.847 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -148.82 -48.82 0.15 Allowed 'General case' 0 CA--C 1.564 1.495 1 CA-C-N 106.791 -4.731 . . . . 0.0 101.283 177.235 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -70.6 -45.25 65.68 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-N 120.709 1.595 . . . . 0.0 108.663 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -71.34 -17.72 62.42 Favored 'General case' 0 CA--C 1.588 2.423 0 CA-C-N 119.206 0.912 . . . . 0.0 110.923 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.255 25.5 t -81.83 -54.4 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 126.127 1.771 . . . . 0.0 110.27 177.655 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -63.65 -13.99 47.69 Favored 'General case' 0 CA--C 1.58 2.1 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 177.156 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -87.84 -59.75 2.16 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 125.391 1.476 . . . . 0.0 111.63 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.766 0 O-C-N 120.377 -1.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -75.11 -151.87 0.03 OUTLIER 'General case' 0 CA--C 1.568 1.645 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -50.61 -44.94 57.24 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 125.298 1.439 . . . . 0.0 114.877 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.01 14.46 1.4 Allowed 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 118.466 2.765 . . . . 0.0 118.466 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -146.19 23.01 1.35 Allowed 'General case' 0 CA--C 1.587 2.401 0 C-N-CA 129.078 2.951 . . . . 0.0 111.931 176.65 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -131.25 -49.96 1.01 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 128.98 2.912 . . . . 0.0 105.012 176.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.3 mtp -73.85 -52.51 12.78 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 176.416 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.29 -33.93 74.37 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-N 119.972 1.26 . . . . 0.0 111.973 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.86 -49.03 72.13 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -63.72 -58.5 6.68 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.78 0.832 . . . . 0.0 110.095 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.9 mt -46.2 -43.61 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.128 0 C-N-CA 124.775 1.23 . . . . 0.0 113.156 177.05 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.61 -26.41 59.85 Favored Glycine 0 CA--C 1.552 2.369 0 N-CA-C 116.471 1.349 . . . . 0.0 116.471 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -138.46 45.61 2.05 Favored 'General case' 0 CA--C 1.574 1.872 0 C-N-CA 125.335 1.454 . . . . 0.0 111.664 176.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -134.89 -65.45 0.62 Allowed 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 102.406 -3.183 . . . . 0.0 102.406 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 28.2 m -103.2 50.57 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.924 0 CA-C-O 127.021 3.296 . . . . 0.0 110.483 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -148.78 -48.75 0.15 Allowed 'General case' 0 CA--C 1.563 1.445 1 CA-C-N 106.802 -4.727 . . . . 0.0 101.284 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.29 -46.19 64.82 Favored 'General case' 0 C--N 1.368 1.413 0 CA-C-N 120.737 1.608 . . . . 0.0 108.521 176.513 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -71.72 -16.15 62.22 Favored 'General case' 0 CA--C 1.587 2.372 0 CA-C-N 119.691 1.132 . . . . 0.0 111.279 176.214 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.255 27.0 t -82.23 -54.03 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 126.058 1.743 . . . . 0.0 110.224 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -63.8 -13.58 45.47 Favored 'General case' 0 CA--C 1.579 2.086 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 177.184 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -85.96 -59.31 2.34 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 125.314 1.446 . . . . 0.0 111.933 177.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.758 0 O-C-N 120.518 -1.364 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -77.23 -151.68 0.04 OUTLIER 'General case' 0 CA--C 1.57 1.739 0 O-C-N 124.243 0.964 . . . . 0.0 113.222 . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t -51.51 -45.47 62.91 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.84 12.3 1.79 Allowed 'General case' 0 CA--C 1.569 1.694 0 N-CA-C 118.576 2.806 . . . . 0.0 118.576 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -142.6 20.71 2.02 Favored 'General case' 0 CA--C 1.588 2.422 0 C-N-CA 129.107 2.963 . . . . 0.0 112.067 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -129.35 -50.9 1.18 Allowed 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 128.784 2.834 . . . . 0.0 104.821 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.3 mtp -71.93 -52.07 19.0 Favored 'General case' 0 C--N 1.36 1.046 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -61.29 -33.93 74.37 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-N 119.887 1.221 . . . . 0.0 111.992 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.25 -49.46 69.53 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -63.19 -57.53 10.19 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.894 0.878 . . . . 0.0 110.216 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -47.28 -43.72 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 C-N-CA 124.763 1.225 . . . . 0.0 112.83 176.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.79 -21.41 55.23 Favored Glycine 0 CA--C 1.553 2.456 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 176.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.267 14.6 ptmm? -141.21 40.71 1.78 Allowed 'General case' 0 CA--C 1.572 1.822 0 C-N-CA 125.561 1.544 . . . . 0.0 112.92 176.668 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -131.17 -65.63 0.77 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 102.602 -3.11 . . . . 0.0 102.602 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 28.8 m -102.64 47.6 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.847 0 CA-C-O 126.744 3.164 . . . . 0.0 111.22 175.809 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -144.0 -49.12 0.29 Allowed 'General case' 0 CA--C 1.554 1.105 1 CA-C-N 107.15 -4.568 . . . . 0.0 102.269 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -75.23 -37.67 60.95 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 120.045 1.293 . . . . 0.0 109.685 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -68.35 -27.09 65.95 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-N 120.5 1.5 . . . . 0.0 110.485 176.427 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.257 2.7 m -78.37 -52.85 15.0 Favored 'Isoleucine or valine' 0 C--N 1.365 1.276 0 CA-C-N 119.749 1.159 . . . . 0.0 111.655 177.713 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -59.62 -20.76 58.12 Favored 'General case' 0 CA--C 1.579 2.059 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.23 -59.96 2.23 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 125.218 1.407 . . . . 0.0 111.715 177.731 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.793 0 O-C-N 120.394 -1.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -77.66 -141.29 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.533 0 O-C-N 124.328 1.018 . . . . 0.0 113.599 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -51.45 -45.8 62.82 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.71 13.76 1.55 Allowed 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 118.854 2.909 . . . . 0.0 118.854 177.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -145.57 21.34 1.5 Allowed 'General case' 0 CA--C 1.586 2.336 0 C-N-CA 128.766 2.827 . . . . 0.0 112.155 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -130.42 -49.13 1.08 Allowed 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 128.766 2.826 . . . . 0.0 104.953 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.1 mtp -73.77 -52.22 13.88 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 104.931 -2.248 . . . . 0.0 104.931 176.399 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.17 -34.23 74.7 Favored 'General case' 0 CA--C 1.561 1.37 0 CA-C-N 119.995 1.27 . . . . 0.0 111.932 176.489 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.96 -48.88 72.47 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.62 -58.31 7.35 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.974 0.909 . . . . 0.0 110.012 177.087 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -46.71 -43.56 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 C-N-CA 124.787 1.235 . . . . 0.0 112.966 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.25 -23.5 57.72 Favored Glycine 0 CA--C 1.553 2.408 0 N-CA-C 116.717 1.447 . . . . 0.0 116.717 176.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -141.8 46.79 1.66 Allowed 'General case' 0 CA--C 1.574 1.874 0 C-N-CA 125.269 1.428 . . . . 0.0 111.466 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -136.39 -66.11 0.55 Allowed 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 102.284 -3.228 . . . . 0.0 102.284 177.291 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 29.1 m -102.7 47.81 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.862 0 CA-C-O 126.769 3.176 . . . . 0.0 111.108 175.78 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -144.24 -49.16 0.28 Allowed 'General case' 0 CA--C 1.554 1.123 1 CA-C-N 107.144 -4.571 . . . . 0.0 102.29 177.143 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.23 -37.91 60.85 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 119.975 1.261 . . . . 0.0 109.649 176.432 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -68.67 -25.55 64.86 Favored 'General case' 0 CA--C 1.579 2.067 0 CA-C-N 120.521 1.51 . . . . 0.0 110.693 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 2.8 m -79.73 -53.03 13.9 Favored 'Isoleucine or valine' 0 C--N 1.365 1.276 0 CA-C-N 119.714 1.143 . . . . 0.0 111.389 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -60.48 -18.03 48.94 Favored 'General case' 0 CA--C 1.58 2.125 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -86.48 -60.11 2.09 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 125.349 1.46 . . . . 0.0 111.566 177.744 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.77 0 O-C-N 120.401 -1.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -84.21 -150.74 0.12 Allowed 'General case' 0 CA--C 1.571 1.766 0 O-C-N 117.523 -3.236 . . . . 0.0 113.05 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -51.85 -49.74 62.29 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.03 1.332 . . . . 0.0 113.253 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.09 21.23 0.34 Allowed 'General case' 0 CA--C 1.578 2.041 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 tmtp? -144.01 19.83 1.78 Allowed 'General case' 0 CA--C 1.595 2.7 0 C-N-CA 130.06 3.344 . . . . 0.0 111.621 176.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -130.36 -49.49 1.08 Allowed 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 130.02 3.328 . . . . 0.0 104.117 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 15.1 ptm -71.98 -52.6 16.3 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -62.33 -35.06 77.91 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 124.691 1.196 . . . . 0.0 112.096 176.687 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -64.86 -47.55 77.52 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -65.01 -58.48 5.99 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.731 0.812 . . . . 0.0 109.741 177.125 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.6 mt -46.04 -43.48 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 124.779 1.231 . . . . 0.0 113.222 177.022 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.38 -26.84 59.85 Favored Glycine 0 CA--C 1.551 2.293 0 N-CA-C 116.449 1.34 . . . . 0.0 116.449 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -138.55 46.11 2.02 Favored 'General case' 0 CA--C 1.573 1.852 0 C-N-CA 125.383 1.473 . . . . 0.0 111.529 176.601 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -135.1 -65.51 0.61 Allowed 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 102.464 -3.162 . . . . 0.0 102.464 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 27.3 m -103.08 50.0 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.932 0 CA-C-O 127.025 3.298 . . . . 0.0 110.579 175.779 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -147.73 -48.77 0.17 Allowed 'General case' 0 CA--C 1.562 1.44 1 CA-C-N 106.904 -4.68 . . . . 0.0 101.469 177.281 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -70.27 -45.5 66.27 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-N 120.436 1.471 . . . . 0.0 108.378 176.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -68.98 -23.84 64.16 Favored 'General case' 0 CA--C 1.587 2.389 0 CA-C-N 119.339 0.972 . . . . 0.0 110.24 176.134 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.272 25.1 t -74.97 -53.7 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 125.653 1.581 . . . . 0.0 110.628 177.629 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -61.49 -19.43 62.05 Favored 'General case' 0 CA--C 1.579 2.083 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 177.004 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -82.31 -59.88 2.4 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 125.133 1.373 . . . . 0.0 111.824 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.761 0 O-C-N 120.313 -1.492 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -77.53 -151.75 0.05 OUTLIER 'General case' 0 CA--C 1.569 1.707 0 O-C-N 124.234 0.959 . . . . 0.0 113.234 . . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -51.39 -45.02 62.33 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 178.026 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.78 14.64 1.27 Allowed 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 118.45 2.759 . . . . 0.0 118.45 177.013 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -145.97 22.19 1.41 Allowed 'General case' 0 CA--C 1.586 2.362 0 C-N-CA 129.04 2.936 . . . . 0.0 112.123 176.682 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -130.66 -50.1 1.06 Allowed 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 128.932 2.893 . . . . 0.0 104.86 176.912 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.4 mtp -73.39 -52.49 13.59 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 104.964 -2.235 . . . . 0.0 104.964 176.459 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.2 -33.94 74.28 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-N 119.969 1.259 . . . . 0.0 111.963 176.496 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.19 -49.18 70.79 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 176.935 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.25 -57.86 9.05 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.966 0.906 . . . . 0.0 110.16 177.078 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.9 mt -47.01 -43.71 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 C-N-CA 124.773 1.229 . . . . 0.0 112.864 176.949 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.8 -21.68 55.76 Favored Glycine 0 CA--C 1.553 2.407 0 N-CA-C 117.096 1.598 . . . . 0.0 117.096 176.849 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.269 14.6 ptmm? -141.0 40.66 1.8 Allowed 'General case' 0 CA--C 1.571 1.76 0 C-N-CA 125.598 1.559 . . . . 0.0 112.893 176.625 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -130.92 -65.88 0.77 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 102.588 -3.116 . . . . 0.0 102.588 177.346 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.326 30.1 m -102.85 49.04 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.84 0 CA-C-O 126.824 3.202 . . . . 0.0 110.948 175.832 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -144.68 -49.16 0.26 Allowed 'General case' 0 CA--C 1.552 1.021 1 CA-C-N 107.051 -4.613 . . . . 0.0 102.718 177.233 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -76.18 -37.98 57.19 Favored 'General case' 0 CA--C 1.559 1.29 0 CA-C-O 117.622 -1.18 . . . . 0.0 109.244 176.36 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -68.35 -26.2 65.47 Favored 'General case' 0 CA--C 1.577 1.999 0 CA-C-N 120.394 1.452 . . . . 0.0 110.768 176.506 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 3.0 m -78.44 -52.87 14.93 Favored 'Isoleucine or valine' 0 C--N 1.366 1.286 0 CA-C-N 119.725 1.148 . . . . 0.0 111.416 177.682 . . . . . . . . 2 2 . 1 . 021 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -62.7 -13.61 34.43 Favored 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 177.133 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -88.53 -59.11 2.32 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 125.285 1.434 . . . . 0.0 111.59 177.705 . . . . . . . . 1 1 . 1 . 021 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.727 0 O-C-N 120.489 -1.382 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -78.62 -153.32 0.07 Allowed 'General case' 0 CA--C 1.569 1.699 0 O-C-N 117.451 -3.281 . . . . 0.0 112.891 . . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -54.4 -46.4 73.12 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.02 11.66 2.16 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 118.568 2.803 . . . . 0.0 118.568 177.012 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -141.05 18.95 2.28 Favored 'General case' 0 CA--C 1.585 2.309 0 C-N-CA 128.655 2.782 . . . . 0.0 112.304 176.648 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -129.3 -48.75 1.19 Allowed 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 128.456 2.703 . . . . 0.0 105.267 176.978 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.2 mtp -72.7 -51.7 18.24 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 104.943 -2.243 . . . . 0.0 104.943 176.448 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -61.42 -34.76 75.92 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 120.075 1.307 . . . . 0.0 111.899 176.46 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -64.72 -48.65 73.84 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.92 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -64.09 -58.15 7.49 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.039 0.936 . . . . 0.0 109.932 177.177 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.67 -44.01 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 C-N-CA 124.959 1.304 . . . . 0.0 112.97 177.03 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.25 -25.24 59.91 Favored Glycine 0 CA--C 1.551 2.32 0 N-CA-C 116.791 1.476 . . . . 0.0 116.791 176.967 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -137.58 43.03 2.31 Favored 'General case' 0 CA--C 1.576 1.948 0 C-N-CA 125.336 1.454 . . . . 0.0 111.677 176.682 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -131.59 -65.71 0.75 Allowed 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 102.609 -3.108 . . . . 0.0 102.609 177.273 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.332 28.5 m -102.32 47.4 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.881 0 CA-C-O 126.726 3.155 . . . . 0.0 111.218 175.778 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.7 t80 -143.8 -49.67 0.3 Allowed 'General case' 0 CA--C 1.555 1.159 1 CA-C-N 107.122 -4.581 . . . . 0.0 101.952 177.038 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -74.24 -38.18 63.57 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 120.18 1.355 . . . . 0.0 109.854 176.529 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -68.5 -25.35 64.91 Favored 'General case' 0 CA--C 1.578 2.045 0 CA-C-N 120.577 1.535 . . . . 0.0 110.806 176.471 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.252 2.6 m -80.5 -53.12 13.3 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 CA-C-N 119.663 1.12 . . . . 0.0 111.593 177.727 . . . . . . . . 2 2 . 1 . 022 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -61.18 -16.35 43.73 Favored 'General case' 0 CA--C 1.58 2.116 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 177.166 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -87.2 -59.41 2.26 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 125.415 1.486 . . . . 0.0 111.654 177.621 . . . . . . . . 1 1 . 1 . 022 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.762 0 O-C-N 120.45 -1.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.189 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . 0.416 ' HB3' ' H ' ' A' ' 2' ' ' SER . 18.1 mm-40 -76.83 -141.57 0.02 OUTLIER 'General case' 0 CA--C 1.564 1.499 0 O-C-N 124.284 0.99 . . . . 0.0 113.488 . . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 2' ' ' SER . . . . . 0.416 ' H ' ' HB3' ' A' ' 1' ' ' GLU . 7.9 t -54.21 -46.27 72.44 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 -179.812 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.52 13.15 1.69 Allowed 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 118.942 2.941 . . . . 0.0 118.942 177.166 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -146.07 24.43 1.31 Allowed 'General case' 0 CA--C 1.588 2.41 0 C-N-CA 128.539 2.736 . . . . 0.0 111.58 176.548 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -132.89 -49.35 0.88 Allowed 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 128.609 2.763 . . . . 0.0 104.818 176.912 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.9 mtm -73.98 -52.89 11.36 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 104.712 -2.329 . . . . 0.0 104.712 176.372 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.45 -34.37 75.31 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-N 120.0 1.273 . . . . 0.0 112.006 176.477 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.99 -48.32 74.4 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.979 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -64.34 -58.14 7.35 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.911 0.884 . . . . 0.0 109.902 177.071 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -46.63 -43.47 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 C-N-CA 124.812 1.245 . . . . 0.0 112.99 177.035 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.64 -24.89 57.71 Favored Glycine 0 CA--C 1.552 2.402 0 N-CA-C 116.529 1.371 . . . . 0.0 116.529 176.887 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -141.53 48.15 1.65 Allowed 'General case' 0 CA--C 1.574 1.888 0 C-N-CA 125.228 1.411 . . . . 0.0 111.453 176.592 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -137.85 -66.15 0.5 Allowed 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 101.926 -3.361 . . . . 0.0 101.926 177.269 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.323 29.7 m -102.94 50.77 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 CA-C-O 127.023 3.297 . . . . 0.0 110.554 175.855 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -148.82 -48.93 0.15 Allowed 'General case' 0 CA--C 1.563 1.45 1 CA-C-N 106.828 -4.715 . . . . 0.0 101.398 177.207 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -70.79 -44.99 65.49 Favored 'General case' 0 C--N 1.368 1.406 0 CA-C-N 120.615 1.552 . . . . 0.0 108.679 176.458 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -71.64 -17.67 62.24 Favored 'General case' 0 CA--C 1.588 2.416 0 CA-C-N 119.359 0.981 . . . . 0.0 110.845 176.246 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.258 25.5 t -81.5 -54.34 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 126.197 1.799 . . . . 0.0 110.201 177.616 . . . . . . . . 2 2 . 1 . 023 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -63.49 -14.3 49.51 Favored 'General case' 0 CA--C 1.579 2.096 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 177.137 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -87.89 -60.08 2.07 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.534 1.533 . . . . 0.0 111.29 177.817 . . . . . . . . 1 1 . 1 . 023 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.757 0 O-C-N 120.304 -1.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.249 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -73.46 -156.33 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.504 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 . . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -55.14 -46.87 75.69 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.56 11.58 2.44 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 177.075 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -141.45 19.88 2.22 Favored 'General case' 0 CA--C 1.585 2.319 0 C-N-CA 128.597 2.759 . . . . 0.0 112.31 176.58 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -129.52 -50.1 1.17 Allowed 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 128.575 2.75 . . . . 0.0 104.642 176.949 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 mtt -71.83 -52.46 17.38 Favored 'General case' 0 C--N 1.361 1.071 0 N-CA-C 105.372 -2.084 . . . . 0.0 105.372 176.472 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -61.56 -33.04 73.17 Favored 'General case' 0 CA--C 1.56 1.354 0 CA-C-N 120.019 1.282 . . . . 0.0 112.194 176.489 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -65.63 -51.88 56.16 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.147 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.295 7.9 ptm85 -65.04 -52.09 57.83 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 117.652 -1.166 . . . . 0.0 110.947 177.299 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -49.05 -44.75 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 CA-C-N 120.134 1.334 . . . . 0.0 112.697 177.06 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.77 -16.94 53.16 Favored Glycine 0 CA--C 1.555 2.563 0 N-CA-C 117.971 1.948 . . . . 0.0 117.971 176.955 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.254 22.9 pttp -142.99 38.47 1.44 Allowed 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 126.212 1.805 . . . . 0.0 113.399 176.884 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -129.21 -66.48 0.81 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 102.356 -3.201 . . . . 0.0 102.356 177.312 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.33 27.7 m -102.46 47.72 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.823 0 CA-C-O 126.729 3.157 . . . . 0.0 111.135 175.849 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -143.53 -49.64 0.31 Allowed 'General case' 0 CA--C 1.556 1.203 1 CA-C-N 107.201 -4.545 . . . . 0.0 101.919 177.04 . . . . . . . . 2 2 . 1 . 024 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -74.82 -38.63 62.0 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 120.232 1.378 . . . . 0.0 109.722 176.549 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -68.87 -22.78 64.17 Favored 'General case' 0 CA--C 1.575 1.94 0 CA-C-N 120.693 1.588 . . . . 0.0 111.194 176.484 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.98 -53.15 12.15 Favored 'Isoleucine or valine' 0 C--N 1.365 1.272 0 CA-C-N 119.875 1.216 . . . . 0.0 111.326 177.633 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -61.59 -15.67 41.22 Favored 'General case' 0 CA--C 1.58 2.112 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 177.192 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -88.85 -60.46 1.95 Allowed 'General case' 0 C--N 1.356 0.865 0 C-N-CA 125.492 1.517 . . . . 0.0 111.343 177.715 . . . . . . . . 1 1 . 1 . 024 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.766 0 O-C-N 120.381 -1.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.28 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -75.09 -157.83 0.07 Allowed 'General case' 0 CA--C 1.567 1.597 0 O-C-N 124.08 0.863 . . . . 0.0 113.132 . . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -57.02 -48.4 78.59 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.6 12.86 1.84 Allowed 'General case' 0 CA--C 1.567 1.609 0 N-CA-C 118.217 2.673 . . . . 0.0 118.217 177.03 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -140.56 17.97 2.36 Favored 'General case' 0 CA--C 1.584 2.269 0 C-N-CA 128.59 2.756 . . . . 0.0 112.538 176.681 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -128.86 -49.56 1.23 Allowed 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 128.383 2.673 . . . . 0.0 104.753 176.933 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.4 mtt -71.53 -51.45 23.47 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 176.434 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -61.65 -34.52 75.85 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-N 120.035 1.289 . . . . 0.0 111.989 176.539 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.01 -48.81 72.6 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.014 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -63.76 -57.98 8.28 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.015 0.926 . . . . 0.0 109.968 177.096 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.2 mt -46.93 -43.63 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 C-N-CA 124.82 1.248 . . . . 0.0 112.931 176.925 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.18 -23.22 57.21 Favored Glycine 0 CA--C 1.553 2.411 0 N-CA-C 116.803 1.481 . . . . 0.0 116.803 176.858 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -141.98 46.68 1.65 Allowed 'General case' 0 CA--C 1.575 1.904 0 C-N-CA 125.279 1.432 . . . . 0.0 111.582 176.614 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -136.48 -65.75 0.56 Allowed 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 102.383 -3.191 . . . . 0.0 102.383 177.327 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 27.8 m -102.83 47.18 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.891 0 CA-C-O 126.716 3.15 . . . . 0.0 111.169 175.762 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -144.0 -49.25 0.29 Allowed 'General case' 0 CA--C 1.556 1.199 1 CA-C-N 107.146 -4.57 . . . . 0.0 101.958 177.046 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -74.73 -38.07 62.38 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 120.187 1.358 . . . . 0.0 109.869 176.533 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -68.77 -24.99 64.49 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 120.672 1.578 . . . . 0.0 110.853 176.463 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.252 2.5 m -80.65 -53.1 13.28 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 CA-C-N 119.652 1.115 . . . . 0.0 111.6 177.703 . . . . . . . . 2 2 . 1 . 025 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -61.4 -16.18 43.96 Favored 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 177.166 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -87.79 -60.32 2.0 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 125.493 1.517 . . . . 0.0 111.394 177.67 . . . . . . . . 1 1 . 1 . 025 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.754 0 O-C-N 120.389 -1.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.271 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.69 -155.8 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.499 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 . . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -54.87 -46.59 74.75 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.34 11.59 2.34 Favored 'General case' 0 CA--C 1.566 1.569 0 N-CA-C 118.603 2.816 . . . . 0.0 118.603 177.078 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -141.09 18.77 2.28 Favored 'General case' 0 CA--C 1.584 2.287 0 C-N-CA 128.639 2.775 . . . . 0.0 112.381 176.625 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -129.27 -49.75 1.19 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 128.457 2.703 . . . . 0.0 104.914 177.042 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 mtm -71.9 -51.04 24.15 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 105.291 -2.114 . . . . 0.0 105.291 176.454 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -61.76 -35.03 76.95 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-N 120.102 1.319 . . . . 0.0 111.771 176.442 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -64.37 -48.48 75.33 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.948 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.8 mtp-105 -63.32 -59.1 5.16 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.387 1.075 . . . . 0.0 109.956 177.101 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.0 mt -46.4 -43.73 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 C-N-CA 124.955 1.302 . . . . 0.0 112.981 176.99 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.14 -25.69 60.25 Favored Glycine 0 CA--C 1.551 2.34 0 N-CA-C 116.617 1.407 . . . . 0.0 116.617 176.881 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -138.16 44.17 2.16 Favored 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 125.311 1.445 . . . . 0.0 111.744 176.621 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -132.69 -65.82 0.7 Allowed 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 102.457 -3.164 . . . . 0.0 102.457 177.326 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.328 30.4 m -102.5 48.11 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.847 0 CA-C-O 126.751 3.167 . . . . 0.0 111.106 175.809 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -144.29 -49.71 0.28 Allowed 'General case' 0 CA--C 1.554 1.115 1 CA-C-N 107.052 -4.613 . . . . 0.0 102.16 177.129 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -74.7 -37.71 62.54 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 120.049 1.295 . . . . 0.0 109.691 176.437 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -68.65 -25.75 64.98 Favored 'General case' 0 CA--C 1.577 2.008 0 CA-C-N 120.432 1.469 . . . . 0.0 110.75 176.467 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 2.8 m -79.94 -53.01 13.83 Favored 'Isoleucine or valine' 0 C--N 1.366 1.293 0 C-N-CA 124.485 1.114 . . . . 0.0 111.319 177.717 . . . . . . . . 2 2 . 1 . 026 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -60.54 -17.78 48.09 Favored 'General case' 0 CA--C 1.58 2.113 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 177.088 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -86.73 -60.23 2.05 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 125.439 1.496 . . . . 0.0 111.493 177.73 . . . . . . . . 1 1 . 1 . 026 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.767 0 O-C-N 120.395 -1.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.275 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . 0.258 4.0 mp0 53.08 -150.03 0.37 Allowed 'General case' 0 CA--C 1.567 1.625 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 . . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -49.78 -40.62 42.09 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 177.862 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.89 8.41 4.67 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 119.789 3.255 . . . . 0.0 119.789 177.267 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -141.87 19.69 2.14 Favored 'General case' 0 CA--C 1.585 2.315 0 C-N-CA 128.44 2.696 . . . . 0.0 111.919 176.35 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.2 m170 -127.89 -48.66 1.36 Allowed 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 128.497 2.719 . . . . 0.0 105.142 176.904 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.1 mtt -73.86 -52.14 13.97 Favored 'General case' 0 C--N 1.361 1.077 0 N-CA-C 105.072 -2.196 . . . . 0.0 105.072 176.434 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -60.85 -34.21 74.24 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-N 119.942 1.246 . . . . 0.0 111.968 176.491 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.96 -49.17 71.35 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.925 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -63.34 -58.65 6.41 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.865 0.866 . . . . 0.0 110.071 177.116 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -46.09 -43.71 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 C-N-CA 124.885 1.274 . . . . 0.0 113.154 176.981 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.54 -26.59 59.91 Favored Glycine 0 CA--C 1.552 2.397 0 N-CA-C 116.413 1.325 . . . . 0.0 116.413 176.878 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -138.42 45.76 2.05 Favored 'General case' 0 CA--C 1.574 1.866 0 C-N-CA 125.301 1.44 . . . . 0.0 111.635 176.622 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -135.02 -65.45 0.62 Allowed 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 102.39 -3.189 . . . . 0.0 102.39 177.366 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.322 28.8 m -103.4 51.04 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 CA-C-O 127.035 3.302 . . . . 0.0 110.339 175.772 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -148.99 -48.85 0.15 Allowed 'General case' 0 CA--C 1.56 1.36 1 CA-C-N 106.812 -4.722 . . . . 0.0 101.691 177.319 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -70.89 -45.96 63.41 Favored 'General case' 0 CA--C 1.562 1.409 0 CA-C-N 120.278 1.399 . . . . 0.0 108.366 176.457 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.1 mmmt -71.83 -16.71 62.17 Favored 'General case' 0 CA--C 1.587 2.395 0 CA-C-N 119.612 1.096 . . . . 0.0 110.987 176.226 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.26 22.9 t -80.27 -54.03 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 125.964 1.706 . . . . 0.0 109.373 177.394 . . . . . . . . 2 2 . 1 . 027 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -62.79 -15.77 55.15 Favored 'General case' 0 CA--C 1.58 2.119 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 176.93 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -81.85 -59.16 2.68 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 125.399 1.479 . . . . 0.0 111.803 177.827 . . . . . . . . 1 1 . 1 . 027 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.74 0 O-C-N 120.501 -1.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -78.93 -154.02 0.07 Allowed 'General case' 0 CA--C 1.568 1.639 0 O-C-N 117.444 -3.285 . . . . 0.0 113.014 . . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -54.32 -46.37 72.84 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 179.754 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.22 14.46 1.48 Allowed 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 118.328 2.714 . . . . 0.0 118.328 177.001 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -144.99 21.91 1.58 Allowed 'General case' 0 CA--C 1.586 2.338 0 C-N-CA 128.837 2.855 . . . . 0.0 112.093 176.697 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -131.36 -49.4 0.99 Allowed 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 128.775 2.83 . . . . 0.0 105.017 177.03 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 mtt -73.5 -52.2 14.44 Favored 'General case' 0 C--N 1.36 1.051 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 176.382 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -61.44 -34.37 75.31 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-N 120.061 1.3 . . . . 0.0 111.929 176.445 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.65 -48.97 72.83 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.941 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -63.77 -58.58 6.41 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.947 0.899 . . . . 0.0 110.012 177.154 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.18 -43.71 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 C-N-CA 124.869 1.268 . . . . 0.0 113.129 176.997 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.68 -26.18 59.69 Favored Glycine 0 CA--C 1.551 2.311 0 N-CA-C 116.523 1.369 . . . . 0.0 116.523 176.917 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -138.54 45.44 2.05 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 125.347 1.459 . . . . 0.0 111.625 176.555 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -134.61 -65.24 0.64 Allowed 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 102.495 -3.15 . . . . 0.0 102.495 177.286 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 29.2 m -103.58 50.5 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.915 0 CA-C-O 126.98 3.276 . . . . 0.0 110.38 175.815 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -148.26 -49.0 0.16 Allowed 'General case' 0 CA--C 1.561 1.397 1 CA-C-N 106.911 -4.677 . . . . 0.0 101.516 177.256 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -70.57 -45.48 65.31 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-N 120.43 1.468 . . . . 0.0 108.388 176.404 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -70.51 -19.59 62.91 Favored 'General case' 0 CA--C 1.591 2.52 0 CA-C-N 119.397 0.999 . . . . 0.0 110.71 176.193 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.262 24.5 t -79.02 -53.97 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 125.931 1.692 . . . . 0.0 110.28 177.573 . . . . . . . . 2 2 . 1 . 028 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.47 -16.29 54.57 Favored 'General case' 0 CA--C 1.579 2.072 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 177.098 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -84.93 -59.14 2.43 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 125.248 1.419 . . . . 0.0 112.128 177.832 . . . . . . . . 1 1 . 1 . 028 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.773 0 O-C-N 120.45 -1.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear orig full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -78.85 -154.04 0.07 Allowed 'General case' 0 CA--C 1.568 1.653 0 O-C-N 117.476 -3.265 . . . . 0.0 112.876 . . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -54.31 -46.24 72.78 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 179.736 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.24 14.38 1.53 Allowed 'General case' 0 CA--C 1.568 1.66 0 N-CA-C 118.415 2.746 . . . . 0.0 118.415 177.019 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -145.12 22.01 1.56 Allowed 'General case' 0 CA--C 1.586 2.357 0 C-N-CA 128.708 2.803 . . . . 0.0 112.051 176.742 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -131.39 -49.38 0.99 Allowed 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 128.739 2.816 . . . . 0.0 105.019 176.981 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 mtt -73.61 -52.1 14.56 Favored 'General case' 0 C--N 1.359 1.003 0 N-CA-C 104.816 -2.291 . . . . 0.0 104.816 176.398 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.51 -34.36 75.38 Favored 'General case' 0 CA--C 1.56 1.345 0 CA-C-N 120.111 1.323 . . . . 0.0 111.889 176.424 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.8 -48.92 72.67 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.977 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.69 -58.47 6.81 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.949 0.9 . . . . 0.0 109.957 177.102 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.44 -43.5 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 C-N-CA 124.806 1.243 . . . . 0.0 113.033 176.98 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.56 -24.95 57.54 Favored Glycine 0 CA--C 1.553 2.442 0 N-CA-C 116.51 1.364 . . . . 0.0 116.51 176.862 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.257 2.9 ttmp? -142.06 48.8 1.58 Allowed 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 125.215 1.406 . . . . 0.0 111.564 176.58 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -137.84 -65.27 0.52 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 102.138 -3.282 . . . . 0.0 102.138 177.292 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.322 29.0 m -103.47 50.01 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.577 2.005 0 CA-C-O 127.028 3.299 . . . . 0.0 110.431 175.775 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -148.54 -48.33 0.15 Allowed 'General case' 0 CA--C 1.565 1.555 1 CA-C-N 106.841 -4.709 . . . . 0.0 101.164 177.292 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.33 -45.84 65.38 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-N 120.887 1.676 . . . . 0.0 108.615 176.384 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -70.36 -19.45 63.03 Favored 'General case' 0 CA--C 1.59 2.517 0 CA-C-N 119.417 1.008 . . . . 0.0 110.792 176.237 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.261 31.8 t -79.92 -54.59 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 125.939 1.696 . . . . 0.0 110.713 177.668 . . . . . . . . 2 2 . 1 . 029 nuclear orig full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -64.21 -13.02 46.17 Favored 'General case' 0 CA--C 1.579 2.06 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 177.203 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -87.12 -59.31 2.29 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 125.334 1.454 . . . . 0.0 111.925 177.789 . . . . . . . . 1 1 . 1 . 029 nuclear orig full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 O-C-N 120.454 -1.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 122.084 0.945 . . . . 0.0 113.536 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -55.2 -46.98 75.91 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.21 13.72 1.76 Allowed 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 118.381 2.734 . . . . 0.0 118.381 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -143.96 20.44 1.79 Allowed 'General case' 0 CA--C 1.583 2.218 0 C-N-CA 128.513 2.725 . . . . 0.0 112.555 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -130.81 -49.28 1.04 Allowed 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 128.413 2.685 . . . . 0.0 104.564 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.6 mtt -72.26 -52.0 18.35 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -61.46 -34.74 75.95 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-N 119.969 1.259 . . . . 0.0 111.885 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.87 -48.3 74.76 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 176.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -64.1 -58.77 5.66 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.072 0.949 . . . . 0.0 109.735 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -46.18 -43.72 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 C-N-CA 124.923 1.289 . . . . 0.0 113.135 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.32 -27.22 60.24 Favored Glycine 0 CA--C 1.551 2.309 0 N-CA-C 116.4 1.32 . . . . 0.0 116.4 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -138.14 46.0 2.07 Favored 'General case' 0 CA--C 1.573 1.861 0 C-N-CA 125.235 1.414 . . . . 0.0 111.674 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -134.98 -65.5 0.62 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 102.113 -3.291 . . . . 0.0 102.113 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 30.4 m -102.71 50.66 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.897 0 CA-C-O 127.036 3.303 . . . . 0.0 110.59 175.845 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -148.6 -49.24 0.16 Allowed 'General case' 0 CA--C 1.562 1.426 1 CA-C-N 106.832 -4.713 . . . . 0.0 101.312 177.237 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -70.42 -45.04 66.7 Favored 'General case' 0 CA--C 1.562 1.436 0 CA-C-N 120.603 1.547 . . . . 0.0 108.678 176.491 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -71.44 -17.85 62.35 Favored 'General case' 0 CA--C 1.588 2.431 0 CA-C-N 119.264 0.938 . . . . 0.0 110.852 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.255 25.2 t -81.65 -54.31 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 126.16 1.784 . . . . 0.0 110.286 177.631 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.9 tttp . . . . . 0 CA--C 1.58 2.114 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 177.146 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 CA--C 1.568 1.658 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -55.25 -51.65 65.94 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.36 1.064 . . . . 0.0 113.408 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.63 17.53 0.53 Allowed 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 117.851 2.537 . . . . 0.0 117.851 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -138.8 14.09 2.69 Favored 'General case' 0 CA--C 1.589 2.449 0 C-N-CA 129.39 3.076 . . . . 0.0 112.231 176.499 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -127.32 -45.95 1.5 Allowed 'General case' 0 CA--C 1.565 1.522 0 C-N-CA 129.57 3.148 . . . . 0.0 105.124 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.3 ptp -72.76 -51.46 19.01 Favored 'General case' 0 C--N 1.362 1.145 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 176.17 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -62.27 -35.76 79.99 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.906 1.283 . . . . 0.0 112.072 176.643 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.47 -48.2 76.13 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -63.98 -58.46 6.66 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.889 0.875 . . . . 0.0 109.987 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.2 mt -46.59 -43.44 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 C-N-CA 124.88 1.272 . . . . 0.0 112.963 176.987 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.13 -23.47 57.4 Favored Glycine 0 CA--C 1.553 2.452 0 N-CA-C 116.789 1.476 . . . . 0.0 116.789 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -141.87 45.94 1.67 Allowed 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 125.291 1.436 . . . . 0.0 111.698 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -136.22 -65.75 0.56 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 102.356 -3.201 . . . . 0.0 102.356 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.329 29.5 m -102.46 47.0 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.858 0 CA-C-O 126.732 3.158 . . . . 0.0 111.319 175.765 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -143.87 -50.04 0.3 Allowed 'General case' 0 CA--C 1.556 1.205 1 CA-C-N 107.138 -4.574 . . . . 0.0 101.415 177.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -73.13 -38.14 66.4 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 120.55 1.523 . . . . 0.0 110.018 176.451 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -68.48 -25.27 64.89 Favored 'General case' 0 CA--C 1.579 2.059 0 CA-C-N 120.54 1.518 . . . . 0.0 110.884 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.258 2.7 m -80.54 -53.41 12.7 Favored 'Isoleucine or valine' 0 C--N 1.366 1.286 0 CA-C-N 119.66 1.118 . . . . 0.0 111.68 177.713 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt . . . . . 0 CA--C 1.578 2.022 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.148 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 CA--C 1.572 1.79 0 CA-C-O 121.843 0.83 . . . . 0.0 112.694 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -51.61 -44.47 62.89 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.236 1.414 . . . . 0.0 114.418 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.94 13.13 1.48 Allowed 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 118.248 2.684 . . . . 0.0 118.248 176.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -142.55 20.18 2.03 Favored 'General case' 0 CA--C 1.59 2.517 0 C-N-CA 129.358 3.063 . . . . 0.0 111.89 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -128.43 -50.79 1.28 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 128.947 2.899 . . . . 0.0 105.11 176.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.3 mtt -72.7 -51.95 17.22 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.48 -33.91 74.57 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 119.913 1.233 . . . . 0.0 111.78 176.462 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.2 -49.95 67.76 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.2 -57.51 11.22 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.971 0.908 . . . . 0.0 110.385 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.6 mt -47.58 -43.97 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 C-N-CA 124.807 1.243 . . . . 0.0 112.781 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.45 -20.11 54.84 Favored Glycine 0 CA--C 1.554 2.528 0 N-CA-C 117.216 1.646 . . . . 0.0 117.216 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.257 63.5 pttt -141.98 41.59 1.67 Allowed 'General case' 0 CA--C 1.572 1.804 0 C-N-CA 125.824 1.65 . . . . 0.0 112.866 176.765 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -132.62 -65.33 0.72 Allowed 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 177.367 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.326 28.7 m -103.57 50.0 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.909 0 CA-C-O 126.93 3.252 . . . . 0.0 110.493 175.816 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -147.79 -48.79 0.17 Allowed 'General case' 0 CA--C 1.563 1.453 1 CA-C-N 106.988 -4.642 . . . . 0.0 101.187 177.159 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.51 -45.63 65.24 Favored 'General case' 0 C--N 1.369 1.43 0 CA-C-N 120.747 1.612 . . . . 0.0 108.449 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -70.41 -19.04 63.02 Favored 'General case' 0 CA--C 1.591 2.519 0 CA-C-N 119.506 1.048 . . . . 0.0 110.877 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.258 25.4 t -80.26 -54.42 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 125.962 1.705 . . . . 0.0 110.543 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.7 tttp . . . . . 0 CA--C 1.579 2.087 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 177.161 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 CA--C 1.568 1.653 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -55.41 -46.7 76.63 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.24 11.91 2.14 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 118.626 2.824 . . . . 0.0 118.626 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -141.69 19.97 2.17 Favored 'General case' 0 CA--C 1.586 2.328 0 C-N-CA 128.654 2.782 . . . . 0.0 112.258 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -130.19 -48.23 1.1 Allowed 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 128.561 2.744 . . . . 0.0 105.384 177.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.2 mtp -73.75 -51.85 15.14 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -61.27 -34.72 75.65 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 120.198 1.363 . . . . 0.0 111.914 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -64.46 -48.9 73.53 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -64.07 -58.08 7.72 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.867 0.867 . . . . 0.0 110.141 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -46.66 -43.79 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 C-N-CA 124.869 1.268 . . . . 0.0 112.974 176.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.16 -22.65 56.09 Favored Glycine 0 CA--C 1.554 2.47 0 N-CA-C 116.869 1.508 . . . . 0.0 116.869 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.269 24.5 pttm -141.79 43.51 1.71 Allowed 'General case' 0 CA--C 1.572 1.792 0 C-N-CA 125.52 1.528 . . . . 0.0 112.687 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -134.14 -65.1 0.67 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 102.574 -3.121 . . . . 0.0 102.574 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.32 28.3 m -103.89 50.45 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.907 0 CA-C-O 126.96 3.267 . . . . 0.0 110.383 175.829 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -148.4 -48.66 0.16 Allowed 'General case' 0 CA--C 1.562 1.407 1 CA-C-N 106.932 -4.667 . . . . 0.0 101.557 177.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -71.07 -45.54 63.58 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 120.413 1.46 . . . . 0.0 108.244 176.432 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -70.61 -19.2 62.86 Favored 'General case' 0 CA--C 1.59 2.486 0 CA-C-N 119.493 1.042 . . . . 0.0 110.748 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.264 24.5 t -79.03 -53.87 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 C-N-CA 125.961 1.704 . . . . 0.0 110.083 177.592 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? . . . . . 0 CA--C 1.578 2.051 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 177.05 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 CA--C 1.568 1.648 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -55.34 -46.62 76.38 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.56 12.11 2.18 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 118.49 2.774 . . . . 0.0 118.49 177.049 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -141.6 19.74 2.19 Favored 'General case' 0 CA--C 1.586 2.329 0 C-N-CA 128.688 2.795 . . . . 0.0 112.293 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -129.78 -50.53 1.14 Allowed 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 128.591 2.756 . . . . 0.0 104.654 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 mtt -71.46 -51.77 22.02 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 105.215 -2.142 . . . . 0.0 105.215 176.51 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -61.32 -33.69 74.01 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-N 120.035 1.289 . . . . 0.0 112.045 176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -64.59 -49.98 69.01 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -65.24 -57.09 9.36 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 118.17 -0.919 . . . . 0.0 109.947 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.7 mt -46.23 -43.78 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 C-N-CA 124.661 1.184 . . . . 0.0 113.262 177.11 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.63 -24.36 56.73 Favored Glycine 0 CA--C 1.553 2.46 0 N-CA-C 116.732 1.453 . . . . 0.0 116.732 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -142.16 47.75 1.6 Allowed 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 125.359 1.464 . . . . 0.0 111.497 176.603 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -137.62 -65.69 0.52 Allowed 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 102.234 -3.247 . . . . 0.0 102.234 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.321 28.8 m -103.73 50.22 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.921 0 CA-C-O 126.993 3.283 . . . . 0.0 110.431 175.808 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -148.17 -48.96 0.16 Allowed 'General case' 0 CA--C 1.561 1.382 1 CA-C-N 106.957 -4.656 . . . . 0.0 101.425 177.298 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -70.79 -45.14 65.21 Favored 'General case' 0 CA--C 1.562 1.44 0 CA-C-N 120.637 1.562 . . . . 0.0 108.364 176.42 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -70.33 -20.04 63.02 Favored 'General case' 0 CA--C 1.59 2.51 0 CA-C-N 119.491 1.042 . . . . 0.0 110.675 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.261 24.2 t -78.61 -54.73 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 125.961 1.704 . . . . 0.0 110.088 177.555 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt . . . . . 0 CA--C 1.577 1.984 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 177.118 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 CA--C 1.568 1.638 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -54.73 -46.01 74.19 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.96 13.49 1.73 Allowed 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 118.679 2.844 . . . . 0.0 118.679 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -144.43 21.11 1.7 Allowed 'General case' 0 CA--C 1.585 2.289 0 C-N-CA 128.508 2.723 . . . . 0.0 112.272 176.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -130.65 -48.72 1.05 Allowed 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 128.66 2.784 . . . . 0.0 105.058 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.6 mtt -73.88 -52.04 14.26 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -61.22 -34.26 74.82 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 120.057 1.299 . . . . 0.0 111.87 176.374 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.84 -49.82 69.1 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -62.5 -57.54 10.81 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.042 0.937 . . . . 0.0 110.396 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -47.53 -44.01 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 C-N-CA 124.827 1.251 . . . . 0.0 112.747 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.25 -20.83 55.59 Favored Glycine 0 CA--C 1.554 2.504 0 N-CA-C 117.101 1.6 . . . . 0.0 117.101 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.256 63.7 pttt -141.37 41.48 1.76 Allowed 'General case' 0 CA--C 1.572 1.806 0 C-N-CA 125.782 1.633 . . . . 0.0 112.967 176.73 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -132.38 -65.71 0.72 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 102.165 -3.272 . . . . 0.0 102.165 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 30.2 m -102.9 50.63 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.898 0 CA-C-O 126.96 3.267 . . . . 0.0 110.549 175.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -148.31 -49.12 0.16 Allowed 'General case' 0 CA--C 1.562 1.431 1 CA-C-N 106.908 -4.678 . . . . 0.0 101.289 177.176 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -70.7 -45.17 65.46 Favored 'General case' 0 CA--C 1.563 1.449 0 CA-C-N 120.709 1.595 . . . . 0.0 108.525 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -71.13 -17.77 62.54 Favored 'General case' 0 CA--C 1.588 2.407 0 CA-C-N 119.332 0.969 . . . . 0.0 110.985 176.224 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.256 25.1 t -81.83 -54.49 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 126.212 1.805 . . . . 0.0 110.325 177.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.7 tttt . . . . . 0 CA--C 1.579 2.061 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 177.139 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 CA--C 1.568 1.643 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -55.31 -46.84 76.28 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.98 11.82 2.07 Favored 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 118.682 2.845 . . . . 0.0 118.682 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -141.7 19.94 2.17 Favored 'General case' 0 CA--C 1.585 2.31 0 C-N-CA 128.661 2.784 . . . . 0.0 112.295 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -130.27 -48.15 1.09 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 128.561 2.744 . . . . 0.0 105.417 177.022 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.5 mtm -73.79 -51.81 15.19 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 104.724 -2.324 . . . . 0.0 104.724 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -61.46 -34.68 75.85 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 120.109 1.322 . . . . 0.0 111.914 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.54 -48.81 73.7 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.86 -58.56 6.42 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.957 0.903 . . . . 0.0 110.015 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -46.25 -43.73 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 C-N-CA 124.893 1.277 . . . . 0.0 113.091 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.68 -26.18 59.7 Favored Glycine 0 CA--C 1.552 2.344 0 N-CA-C 116.531 1.373 . . . . 0.0 116.531 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -138.36 45.06 2.09 Favored 'General case' 0 CA--C 1.574 1.897 0 C-N-CA 125.357 1.463 . . . . 0.0 111.59 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -134.04 -65.68 0.65 Allowed 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 102.439 -3.171 . . . . 0.0 102.439 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 29.2 m -103.43 50.99 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.883 0 CA-C-O 127.003 3.287 . . . . 0.0 110.382 175.806 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -148.45 -49.21 0.16 Allowed 'General case' 0 CA--C 1.561 1.377 1 CA-C-N 106.874 -4.693 . . . . 0.0 101.496 177.29 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.7 -45.37 65.09 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-N 120.345 1.43 . . . . 0.0 108.277 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -71.14 -17.71 62.54 Favored 'General case' 0 CA--C 1.588 2.431 0 CA-C-N 119.353 0.979 . . . . 0.0 110.912 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.26 24.0 t -80.95 -54.08 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 126.032 1.733 . . . . 0.0 109.978 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 tptm . . . . . 0 CA--C 1.579 2.085 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 177.106 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 CA--C 1.567 1.614 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -56.47 -52.79 63.39 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.368 1.067 . . . . 0.0 113.111 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.16 17.56 0.45 Allowed 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 117.856 2.539 . . . . 0.0 117.856 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -138.21 13.92 2.82 Favored 'General case' 0 CA--C 1.589 2.463 0 C-N-CA 129.392 3.077 . . . . 0.0 112.311 176.457 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -126.69 -48.12 1.53 Allowed 'General case' 0 CA--C 1.563 1.479 0 C-N-CA 129.607 3.163 . . . . 0.0 104.351 176.751 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -70.36 -52.47 22.29 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 176.266 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -62.03 -34.12 75.64 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-N 119.74 1.155 . . . . 0.0 112.462 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.17 -50.4 66.09 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.3 32.4 ptt180 -66.33 -53.4 36.79 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 117.683 -1.151 . . . . 0.0 110.48 177.181 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -47.93 -43.98 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 CA-C-N 120.141 1.337 . . . . 0.0 112.945 177.064 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.47 -21.9 55.25 Favored Glycine 0 CA--C 1.554 2.499 0 N-CA-C 117.238 1.655 . . . . 0.0 117.238 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -142.87 44.87 1.59 Allowed 'General case' 0 CA--C 1.576 1.949 0 C-N-CA 125.613 1.565 . . . . 0.0 112.153 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -135.47 -65.84 0.59 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 102.233 -3.247 . . . . 0.0 102.233 177.293 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.327 28.8 m -102.55 47.24 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.878 0 CA-C-O 126.73 3.157 . . . . 0.0 111.169 175.782 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -143.75 -49.54 0.3 Allowed 'General case' 0 CA--C 1.556 1.198 1 CA-C-N 107.175 -4.557 . . . . 0.0 101.751 177.042 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.17 -38.66 63.61 Favored 'General case' 0 C--N 1.362 1.141 0 CA-C-N 120.262 1.392 . . . . 0.0 109.891 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -68.23 -25.22 65.09 Favored 'General case' 0 CA--C 1.578 2.032 0 CA-C-N 120.617 1.553 . . . . 0.0 110.904 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.25 2.6 m -80.57 -52.9 13.67 Favored 'Isoleucine or valine' 0 C--N 1.365 1.242 0 CA-C-N 119.697 1.135 . . . . 0.0 111.626 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.5 tttt . . . . . 0 CA--C 1.58 2.102 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 177.159 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 CA--C 1.565 1.528 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -57.22 -53.84 53.58 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 124.148 0.979 . . . . 0.0 113.059 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.37 20.55 0.4 Allowed 'General case' 0 CA--C 1.574 1.879 0 N-CA-C 117.38 2.363 . . . . 0.0 117.38 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -141.53 15.41 2.18 Favored 'General case' 0 CA--C 1.589 2.467 0 C-N-CA 129.484 3.114 . . . . 0.0 112.295 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -128.48 -46.68 1.31 Allowed 'General case' 0 CA--C 1.566 1.566 0 C-N-CA 129.721 3.209 . . . . 0.0 104.746 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -72.63 -52.32 15.88 Favored 'General case' 0 C--N 1.363 1.163 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 176.136 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.72 -35.58 78.46 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 119.939 1.245 . . . . 0.0 112.047 176.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.3 -49.43 71.8 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -63.01 -57.41 10.78 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.893 0.877 . . . . 0.0 110.468 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.8 mt -47.39 -44.04 8.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 C-N-CA 124.902 1.281 . . . . 0.0 112.798 176.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.65 -20.1 55.8 Favored Glycine 0 CA--C 1.554 2.52 0 N-CA-C 117.329 1.692 . . . . 0.0 117.329 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.257 63.9 pttt -141.16 39.55 1.77 Allowed 'General case' 0 CA--C 1.572 1.793 0 C-N-CA 125.777 1.631 . . . . 0.0 112.978 176.792 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -130.0 -66.55 0.78 Allowed 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 102.253 -3.24 . . . . 0.0 102.253 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.33 29.1 m -101.63 47.98 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.838 0 CA-C-O 126.705 3.145 . . . . 0.0 111.341 175.868 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -144.17 -49.62 0.29 Allowed 'General case' 0 CA--C 1.556 1.185 1 CA-C-N 107.14 -4.573 . . . . 0.0 102.099 177.06 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.05 -38.11 61.49 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 120.191 1.36 . . . . 0.0 109.962 176.531 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -69.46 -22.86 63.61 Favored 'General case' 0 CA--C 1.576 1.946 0 CA-C-N 120.618 1.554 . . . . 0.0 110.981 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.78 -53.2 12.13 Favored 'Isoleucine or valine' 0 C--N 1.366 1.294 0 CA-C-N 119.883 1.22 . . . . 0.0 111.338 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.4 tttt . . . . . 0 CA--C 1.58 2.102 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 177.171 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 CA--C 1.57 1.735 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -51.23 -45.46 61.95 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.4 14.66 1.17 Allowed 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 118.513 2.783 . . . . 0.0 118.513 177.035 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -145.99 22.28 1.4 Allowed 'General case' 0 CA--C 1.587 2.393 0 C-N-CA 128.993 2.917 . . . . 0.0 112.11 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -130.82 -50.13 1.04 Allowed 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 128.947 2.899 . . . . 0.0 104.861 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.8 mtm -73.39 -52.42 13.86 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 176.485 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.37 -33.96 74.53 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 119.947 1.248 . . . . 0.0 111.916 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.05 -48.88 72.24 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.63 -58.27 7.46 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.998 0.919 . . . . 0.0 110.007 177.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -46.68 -43.64 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 C-N-CA 124.806 1.243 . . . . 0.0 112.982 176.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.04 -23.92 57.76 Favored Glycine 0 CA--C 1.551 2.343 0 N-CA-C 116.707 1.443 . . . . 0.0 116.707 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -141.68 47.19 1.66 Allowed 'General case' 0 CA--C 1.574 1.902 0 C-N-CA 125.219 1.408 . . . . 0.0 111.544 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -136.49 -65.86 0.55 Allowed 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 102.28 -3.23 . . . . 0.0 102.28 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.326 28.4 m -102.52 47.13 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.91 0 CA-C-O 126.733 3.159 . . . . 0.0 111.2 175.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -143.98 -49.51 0.29 Allowed 'General case' 0 CA--C 1.556 1.19 1 CA-C-N 107.136 -4.574 . . . . 0.0 101.852 177.09 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.32 -37.79 63.5 Favored 'General case' 0 C--N 1.362 1.118 0 CA-C-N 120.342 1.428 . . . . 0.0 110.001 176.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -68.41 -26.86 65.75 Favored 'General case' 0 CA--C 1.577 1.989 0 CA-C-N 120.597 1.544 . . . . 0.0 110.536 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 2.5 m -79.17 -52.97 14.3 Favored 'Isoleucine or valine' 0 C--N 1.364 1.226 0 CA-C-N 119.634 1.106 . . . . 0.0 111.869 177.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.5 tttt . . . . . 0 CA--C 1.579 2.09 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 177.185 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 CA--C 1.57 1.746 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -52.14 -45.71 65.12 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 178.311 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.03 12.12 1.95 Allowed 'General case' 0 CA--C 1.568 1.64 0 N-CA-C 118.448 2.759 . . . . 0.0 118.448 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -142.58 21.71 2.01 Favored 'General case' 0 CA--C 1.589 2.458 0 C-N-CA 129.092 2.957 . . . . 0.0 111.919 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -130.37 -49.99 1.09 Allowed 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 128.865 2.866 . . . . 0.0 105.09 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 mtt -73.04 -52.01 15.96 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 105.099 -2.186 . . . . 0.0 105.099 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -61.55 -33.92 74.67 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 119.898 1.226 . . . . 0.0 111.868 176.49 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.19 -48.69 72.55 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -64.19 -58.16 7.4 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.76 0.824 . . . . 0.0 109.802 177.105 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -46.52 -43.53 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 C-N-CA 124.802 1.241 . . . . 0.0 113.051 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.74 -24.26 57.0 Favored Glycine 0 CA--C 1.554 2.475 0 N-CA-C 116.639 1.415 . . . . 0.0 116.639 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -142.15 48.36 1.58 Allowed 'General case' 0 CA--C 1.574 1.903 0 C-N-CA 125.224 1.41 . . . . 0.0 111.4 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -138.2 -65.54 0.51 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 102.329 -3.212 . . . . 0.0 102.329 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.321 27.6 m -103.75 49.95 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.96 0 CA-C-O 127.007 3.289 . . . . 0.0 110.5 175.773 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -148.36 -48.47 0.16 Allowed 'General case' 0 CA--C 1.563 1.479 1 CA-C-N 106.884 -4.689 . . . . 0.0 101.3 177.234 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.57 -45.7 64.9 Favored 'General case' 0 C--N 1.368 1.391 0 CA-C-N 120.732 1.605 . . . . 0.0 108.513 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -70.75 -19.01 62.77 Favored 'General case' 0 CA--C 1.59 2.485 0 CA-C-N 119.534 1.061 . . . . 0.0 110.836 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.26 27.6 t -79.89 -54.28 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 125.964 1.706 . . . . 0.0 110.494 177.639 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.8 tttm . . . . . 0 CA--C 1.58 2.1 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 177.197 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 CA--C 1.562 1.433 0 CA-C-O 122.757 1.265 . . . . 0.0 113.738 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -57.12 -53.9 52.87 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.607 1.163 . . . . 0.0 112.65 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.74 19.19 0.4 Allowed 'General case' 0 CA--C 1.573 1.834 0 N-CA-C 117.482 2.401 . . . . 0.0 117.482 176.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -138.69 12.56 2.71 Favored 'General case' 0 CA--C 1.586 2.354 0 C-N-CA 129.201 3.001 . . . . 0.0 112.609 176.552 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -126.69 -47.15 1.55 Allowed 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 129.273 3.029 . . . . 0.0 104.184 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -70.18 -51.7 29.09 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 176.295 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -61.99 -35.55 78.84 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.754 1.221 . . . . 0.0 112.232 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.92 -47.95 75.9 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 123.352 0.661 . . . . 0.0 109.303 176.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -64.82 -57.86 7.75 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.683 0.793 . . . . 0.0 109.672 177.121 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.8 mt -46.66 -43.42 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 C-N-CA 124.8 1.24 . . . . 0.0 113.016 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.43 -24.42 56.06 Favored Glycine 0 CA--C 1.554 2.495 0 N-CA-C 116.615 1.406 . . . . 0.0 116.615 176.873 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -142.22 48.16 1.58 Allowed 'General case' 0 CA--C 1.575 1.934 0 C-N-CA 125.301 1.44 . . . . 0.0 111.471 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -138.63 -65.34 0.5 Allowed 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 102.064 -3.31 . . . . 0.0 102.064 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.297 33.0 m -103.63 51.26 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.862 0 CA-C-O 127.176 3.369 . . . . 0.0 110.365 175.703 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -150.73 -48.43 0.12 Allowed 'General case' 0 CA--C 1.562 1.409 1 CA-C-N 106.874 -4.694 . . . . 0.0 101.849 177.277 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -71.83 -45.38 61.64 Favored 'General case' 0 C--N 1.366 1.312 0 CA-C-N 120.459 1.481 . . . . 0.0 108.906 176.621 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -75.18 -11.13 60.01 Favored 'General case' 0 CA--C 1.588 2.42 0 CA-C-N 119.83 1.196 . . . . 0.0 111.281 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.6 t -85.98 -54.19 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 126.402 1.881 . . . . 0.0 109.731 177.495 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.7 tttt . . . . . 0 CA--C 1.579 2.062 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 177.2 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 CA--C 1.569 1.68 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -54.1 -46.04 72.0 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.4 12.03 2.15 Favored 'General case' 0 CA--C 1.567 1.632 0 N-CA-C 118.557 2.799 . . . . 0.0 118.557 176.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -141.84 20.14 2.15 Favored 'General case' 0 CA--C 1.586 2.364 0 C-N-CA 128.735 2.814 . . . . 0.0 112.18 176.628 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -130.18 -49.98 1.1 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 128.585 2.754 . . . . 0.0 104.966 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.3 mtp -72.08 -51.6 20.79 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 105.05 -2.204 . . . . 0.0 105.05 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -61.38 -33.42 73.62 Favored 'General case' 0 CA--C 1.561 1.393 0 CA-C-N 120.033 1.288 . . . . 0.0 111.947 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.73 -50.2 67.83 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -64.52 -57.81 8.15 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 118.409 -0.805 . . . . 0.0 109.997 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.0 mt -45.51 -43.85 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 C-N-CA 124.672 1.189 . . . . 0.0 113.534 177.123 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.42 -26.74 59.82 Favored Glycine 0 CA--C 1.552 2.402 0 N-CA-C 116.525 1.37 . . . . 0.0 116.525 176.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -138.56 45.69 2.04 Favored 'General case' 0 CA--C 1.575 1.917 0 C-N-CA 125.344 1.457 . . . . 0.0 111.601 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -134.74 -65.01 0.65 Allowed 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 102.487 -3.153 . . . . 0.0 102.487 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.323 27.7 m -103.61 50.22 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.933 0 CA-C-O 126.991 3.281 . . . . 0.0 110.427 175.765 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -148.61 -48.88 0.15 Allowed 'General case' 0 CA--C 1.562 1.434 1 CA-C-N 106.918 -4.674 . . . . 0.0 101.32 177.186 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -70.34 -45.81 65.43 Favored 'General case' 0 C--N 1.368 1.395 0 CA-C-N 120.658 1.572 . . . . 0.0 108.622 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -71.41 -18.32 62.35 Favored 'General case' 0 CA--C 1.59 2.486 0 CA-C-N 119.701 1.137 . . . . 0.0 110.924 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.257 25.0 t -79.49 -54.27 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 125.928 1.691 . . . . 0.0 109.999 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt . . . . . 0 CA--C 1.581 2.135 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 177.044 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . 0.264 4.0 mp0 . . . . . 0 CA--C 1.566 1.587 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -53.3 -41.17 65.34 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 177.819 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.09 11.43 2.78 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 119.669 3.211 . . . . 0.0 119.669 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -146.55 24.03 1.25 Allowed 'General case' 0 CA--C 1.586 2.331 0 C-N-CA 128.447 2.699 . . . . 0.0 111.552 176.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -131.81 -49.55 0.96 Allowed 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 128.758 2.823 . . . . 0.0 104.768 176.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.2 mtt -73.84 -52.71 12.14 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 176.321 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.21 -34.09 74.54 Favored 'General case' 0 CA--C 1.561 1.373 0 CA-C-N 119.963 1.256 . . . . 0.0 111.841 176.501 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.11 -48.88 72.07 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.67 -58.31 7.31 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.932 0.893 . . . . 0.0 109.976 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.62 -43.53 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 C-N-CA 124.814 1.246 . . . . 0.0 112.96 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.72 -24.39 57.13 Favored Glycine 0 CA--C 1.553 2.445 0 N-CA-C 116.608 1.403 . . . . 0.0 116.608 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -141.97 48.25 1.6 Allowed 'General case' 0 CA--C 1.573 1.849 0 C-N-CA 125.278 1.431 . . . . 0.0 111.433 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -138.13 -65.89 0.5 Allowed 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 102.172 -3.27 . . . . 0.0 102.172 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.318 29.0 m -103.69 51.06 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.915 0 CA-C-O 127.03 3.3 . . . . 0.0 110.273 175.827 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -149.09 -48.66 0.14 Allowed 'General case' 0 CA--C 1.562 1.432 1 CA-C-N 106.844 -4.707 . . . . 0.0 101.654 177.317 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -71.07 -45.8 63.11 Favored 'General case' 0 CA--C 1.562 1.404 0 CA-C-N 120.352 1.433 . . . . 0.0 108.415 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -71.71 -16.72 62.24 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-N 119.516 1.053 . . . . 0.0 110.955 176.156 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.261 24.5 t -80.81 -53.76 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 C-N-CA 126.019 1.727 . . . . 0.0 109.693 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? . . . . . 0 CA--C 1.578 2.048 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 176.989 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 CA--C 1.564 1.499 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -57.16 -53.94 52.44 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.148 0.979 . . . . 0.0 113.02 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.21 20.44 0.39 Allowed 'General case' 0 CA--C 1.574 1.875 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -141.35 15.81 2.21 Favored 'General case' 0 CA--C 1.589 2.479 0 C-N-CA 129.387 3.075 . . . . 0.0 112.345 176.567 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -128.66 -48.98 1.26 Allowed 'General case' 0 CA--C 1.563 1.46 0 C-N-CA 129.729 3.211 . . . . 0.0 104.076 176.774 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -70.27 -52.36 23.52 Favored 'General case' 0 C--N 1.363 1.181 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 176.209 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -61.68 -34.7 76.19 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-N 119.809 1.186 . . . . 0.0 112.243 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.19 -49.44 72.02 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.44 0.696 . . . . 0.0 109.192 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -65.78 -56.98 9.13 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.053 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -46.12 -43.94 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 124.743 1.217 . . . . 0.0 113.29 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.01 -24.11 57.93 Favored Glycine 0 CA--C 1.553 2.429 0 N-CA-C 116.847 1.499 . . . . 0.0 116.847 176.962 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -141.44 46.3 1.71 Allowed 'General case' 0 CA--C 1.575 1.907 0 C-N-CA 125.39 1.476 . . . . 0.0 111.609 176.617 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -135.82 -67.16 0.53 Allowed 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 177.239 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 29.8 m -101.65 48.54 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.782 0 CA-C-O 126.808 3.194 . . . . 0.0 111.207 175.896 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -144.66 -49.21 0.26 Allowed 'General case' 0 CA--C 1.554 1.108 1 CA-C-N 107.072 -4.604 . . . . 0.0 102.585 177.103 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -75.84 -37.7 58.76 Favored 'General case' 0 CA--C 1.556 1.182 0 CA-C-N 119.848 1.203 . . . . 0.0 109.842 176.458 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -69.93 -23.25 63.18 Favored 'General case' 0 CA--C 1.576 1.972 0 CA-C-N 120.412 1.46 . . . . 0.0 110.798 176.465 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 m -81.65 -52.98 13.07 Favored 'Isoleucine or valine' 0 C--N 1.366 1.325 0 CA-C-N 119.892 1.224 . . . . 0.0 111.078 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 tptt . . . . . 0 CA--C 1.58 2.122 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 177.125 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 . . . . . 0 CA--C 1.561 1.367 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -51.05 -43.71 60.99 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.555 1.542 . . . . 0.0 114.838 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.48 13.55 1.95 Allowed 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 118.932 2.938 . . . . 0.0 118.932 177.132 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -145.27 19.79 1.56 Allowed 'General case' 0 CA--C 1.585 2.312 0 C-N-CA 128.717 2.807 . . . . 0.0 112.166 176.63 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.7 m170 -128.92 -49.05 1.23 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 128.596 2.759 . . . . 0.0 104.851 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.4 mtt -73.65 -52.29 13.86 Favored 'General case' 0 C--N 1.361 1.084 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 176.376 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.0 -33.73 73.71 Favored 'General case' 0 CA--C 1.561 1.375 0 CA-C-N 119.981 1.264 . . . . 0.0 112.022 176.478 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -65.3 -48.97 71.27 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -64.39 -57.62 8.79 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.501 0.72 . . . . 0.0 110.003 177.133 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.0 mt -46.66 -43.55 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 C-N-CA 124.76 1.224 . . . . 0.0 113.151 176.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.45 -25.19 57.57 Favored Glycine 0 CA--C 1.553 2.425 0 N-CA-C 116.506 1.362 . . . . 0.0 116.506 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -141.47 48.19 1.65 Allowed 'General case' 0 CA--C 1.574 1.871 0 C-N-CA 125.18 1.392 . . . . 0.0 111.528 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -137.57 -65.88 0.52 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 101.866 -3.383 . . . . 0.0 101.866 177.278 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.322 30.1 m -102.77 50.69 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.953 0 CA-C-O 127.034 3.302 . . . . 0.0 110.527 175.847 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -148.82 -48.82 0.15 Allowed 'General case' 0 CA--C 1.564 1.495 1 CA-C-N 106.791 -4.731 . . . . 0.0 101.283 177.235 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -70.6 -45.25 65.68 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-N 120.709 1.595 . . . . 0.0 108.663 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -71.34 -17.72 62.42 Favored 'General case' 0 CA--C 1.588 2.423 0 CA-C-N 119.206 0.912 . . . . 0.0 110.923 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.255 25.5 t -81.83 -54.4 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 126.127 1.771 . . . . 0.0 110.27 177.655 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.9 tttt . . . . . 0 CA--C 1.58 2.1 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 177.156 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 CA--C 1.568 1.645 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -50.61 -44.94 57.24 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 125.298 1.439 . . . . 0.0 114.877 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.01 14.46 1.4 Allowed 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 118.466 2.765 . . . . 0.0 118.466 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -146.19 23.01 1.35 Allowed 'General case' 0 CA--C 1.587 2.401 0 C-N-CA 129.078 2.951 . . . . 0.0 111.931 176.65 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -131.25 -49.96 1.01 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 128.98 2.912 . . . . 0.0 105.012 176.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.3 mtp -73.85 -52.51 12.78 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 176.416 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.29 -33.93 74.37 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-N 119.972 1.26 . . . . 0.0 111.973 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.86 -49.03 72.13 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -63.72 -58.5 6.68 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.78 0.832 . . . . 0.0 110.095 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.9 mt -46.2 -43.61 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.128 0 C-N-CA 124.775 1.23 . . . . 0.0 113.156 177.05 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.61 -26.41 59.85 Favored Glycine 0 CA--C 1.552 2.369 0 N-CA-C 116.471 1.349 . . . . 0.0 116.471 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -138.46 45.61 2.05 Favored 'General case' 0 CA--C 1.574 1.872 0 C-N-CA 125.335 1.454 . . . . 0.0 111.664 176.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -134.89 -65.45 0.62 Allowed 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 102.406 -3.183 . . . . 0.0 102.406 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 28.2 m -103.2 50.57 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.924 0 CA-C-O 127.021 3.296 . . . . 0.0 110.483 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -148.78 -48.75 0.15 Allowed 'General case' 0 CA--C 1.563 1.445 1 CA-C-N 106.802 -4.727 . . . . 0.0 101.284 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.29 -46.19 64.82 Favored 'General case' 0 C--N 1.368 1.413 0 CA-C-N 120.737 1.608 . . . . 0.0 108.521 176.513 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -71.72 -16.15 62.22 Favored 'General case' 0 CA--C 1.587 2.372 0 CA-C-N 119.691 1.132 . . . . 0.0 111.279 176.214 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.255 27.0 t -82.23 -54.03 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 126.058 1.743 . . . . 0.0 110.224 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.6 tttt . . . . . 0 CA--C 1.579 2.086 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 177.184 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 CA--C 1.57 1.739 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t -51.51 -45.47 62.91 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.84 12.3 1.79 Allowed 'General case' 0 CA--C 1.569 1.694 0 N-CA-C 118.576 2.806 . . . . 0.0 118.576 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -142.6 20.71 2.02 Favored 'General case' 0 CA--C 1.588 2.422 0 C-N-CA 129.107 2.963 . . . . 0.0 112.067 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -129.35 -50.9 1.18 Allowed 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 128.784 2.834 . . . . 0.0 104.821 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.3 mtp -71.93 -52.07 19.0 Favored 'General case' 0 C--N 1.36 1.046 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -61.29 -33.93 74.37 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-N 119.887 1.221 . . . . 0.0 111.992 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.25 -49.46 69.53 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -63.19 -57.53 10.19 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.894 0.878 . . . . 0.0 110.216 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -47.28 -43.72 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 C-N-CA 124.763 1.225 . . . . 0.0 112.83 176.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.79 -21.41 55.23 Favored Glycine 0 CA--C 1.553 2.456 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 176.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.267 14.6 ptmm? -141.21 40.71 1.78 Allowed 'General case' 0 CA--C 1.572 1.822 0 C-N-CA 125.561 1.544 . . . . 0.0 112.92 176.668 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -131.17 -65.63 0.77 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 102.602 -3.11 . . . . 0.0 102.602 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 28.8 m -102.64 47.6 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.847 0 CA-C-O 126.744 3.164 . . . . 0.0 111.22 175.809 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -144.0 -49.12 0.29 Allowed 'General case' 0 CA--C 1.554 1.105 1 CA-C-N 107.15 -4.568 . . . . 0.0 102.269 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -75.23 -37.67 60.95 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 120.045 1.293 . . . . 0.0 109.685 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -68.35 -27.09 65.95 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-N 120.5 1.5 . . . . 0.0 110.485 176.427 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.257 2.7 m -78.37 -52.85 15.0 Favored 'Isoleucine or valine' 0 C--N 1.365 1.276 0 CA-C-N 119.749 1.159 . . . . 0.0 111.655 177.713 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? . . . . . 0 CA--C 1.579 2.059 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 177.102 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 CA--C 1.565 1.533 0 N-CA-C 113.599 0.962 . . . . 0.0 113.599 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -51.45 -45.8 62.82 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.71 13.76 1.55 Allowed 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 118.854 2.909 . . . . 0.0 118.854 177.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -145.57 21.34 1.5 Allowed 'General case' 0 CA--C 1.586 2.336 0 C-N-CA 128.766 2.827 . . . . 0.0 112.155 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -130.42 -49.13 1.08 Allowed 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 128.766 2.826 . . . . 0.0 104.953 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.1 mtp -73.77 -52.22 13.88 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 104.931 -2.248 . . . . 0.0 104.931 176.399 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.17 -34.23 74.7 Favored 'General case' 0 CA--C 1.561 1.37 0 CA-C-N 119.995 1.27 . . . . 0.0 111.932 176.489 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.96 -48.88 72.47 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.62 -58.31 7.35 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.974 0.909 . . . . 0.0 110.012 177.087 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -46.71 -43.56 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 C-N-CA 124.787 1.235 . . . . 0.0 112.966 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.25 -23.5 57.72 Favored Glycine 0 CA--C 1.553 2.408 0 N-CA-C 116.717 1.447 . . . . 0.0 116.717 176.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -141.8 46.79 1.66 Allowed 'General case' 0 CA--C 1.574 1.874 0 C-N-CA 125.269 1.428 . . . . 0.0 111.466 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -136.39 -66.11 0.55 Allowed 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 102.284 -3.228 . . . . 0.0 102.284 177.291 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 29.1 m -102.7 47.81 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.862 0 CA-C-O 126.769 3.176 . . . . 0.0 111.108 175.78 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -144.24 -49.16 0.28 Allowed 'General case' 0 CA--C 1.554 1.123 1 CA-C-N 107.144 -4.571 . . . . 0.0 102.29 177.143 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.23 -37.91 60.85 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 119.975 1.261 . . . . 0.0 109.649 176.432 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -68.67 -25.55 64.86 Favored 'General case' 0 CA--C 1.579 2.067 0 CA-C-N 120.521 1.51 . . . . 0.0 110.693 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 2.8 m -79.73 -53.03 13.9 Favored 'Isoleucine or valine' 0 C--N 1.365 1.276 0 CA-C-N 119.714 1.143 . . . . 0.0 111.389 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.0 tptt . . . . . 0 CA--C 1.58 2.125 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 177.104 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 CA--C 1.571 1.766 0 CA-C-O 122.008 0.908 . . . . 0.0 113.05 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -51.85 -49.74 62.29 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.03 1.332 . . . . 0.0 113.253 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.09 21.23 0.34 Allowed 'General case' 0 CA--C 1.578 2.041 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 tmtp? -144.01 19.83 1.78 Allowed 'General case' 0 CA--C 1.595 2.7 0 C-N-CA 130.06 3.344 . . . . 0.0 111.621 176.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -130.36 -49.49 1.08 Allowed 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 130.02 3.328 . . . . 0.0 104.117 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 15.1 ptm -71.98 -52.6 16.3 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -62.33 -35.06 77.91 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 124.691 1.196 . . . . 0.0 112.096 176.687 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -64.86 -47.55 77.52 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -65.01 -58.48 5.99 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.731 0.812 . . . . 0.0 109.741 177.125 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.6 mt -46.04 -43.48 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 124.779 1.231 . . . . 0.0 113.222 177.022 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.38 -26.84 59.85 Favored Glycine 0 CA--C 1.551 2.293 0 N-CA-C 116.449 1.34 . . . . 0.0 116.449 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -138.55 46.11 2.02 Favored 'General case' 0 CA--C 1.573 1.852 0 C-N-CA 125.383 1.473 . . . . 0.0 111.529 176.601 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -135.1 -65.51 0.61 Allowed 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 102.464 -3.162 . . . . 0.0 102.464 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 27.3 m -103.08 50.0 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.932 0 CA-C-O 127.025 3.298 . . . . 0.0 110.579 175.779 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -147.73 -48.77 0.17 Allowed 'General case' 0 CA--C 1.562 1.44 1 CA-C-N 106.904 -4.68 . . . . 0.0 101.469 177.281 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -70.27 -45.5 66.27 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-N 120.436 1.471 . . . . 0.0 108.378 176.418 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -68.98 -23.84 64.16 Favored 'General case' 0 CA--C 1.587 2.389 0 CA-C-N 119.339 0.972 . . . . 0.0 110.24 176.134 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.272 25.1 t -74.97 -53.7 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 125.653 1.581 . . . . 0.0 110.628 177.629 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? . . . . . 0 CA--C 1.579 2.083 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 177.004 . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 CA--C 1.569 1.707 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 . . . . . . . . . 0 0 . 1 . 021 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -51.39 -45.02 62.33 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 178.026 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.78 14.64 1.27 Allowed 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 118.45 2.759 . . . . 0.0 118.45 177.013 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -145.97 22.19 1.41 Allowed 'General case' 0 CA--C 1.586 2.362 0 C-N-CA 129.04 2.936 . . . . 0.0 112.123 176.682 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -130.66 -50.1 1.06 Allowed 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 128.932 2.893 . . . . 0.0 104.86 176.912 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.4 mtp -73.39 -52.49 13.59 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 104.964 -2.235 . . . . 0.0 104.964 176.459 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.2 -33.94 74.28 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-N 119.969 1.259 . . . . 0.0 111.963 176.496 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.19 -49.18 70.79 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 176.935 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.25 -57.86 9.05 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.966 0.906 . . . . 0.0 110.16 177.078 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.9 mt -47.01 -43.71 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 C-N-CA 124.773 1.229 . . . . 0.0 112.864 176.949 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.8 -21.68 55.76 Favored Glycine 0 CA--C 1.553 2.407 0 N-CA-C 117.096 1.598 . . . . 0.0 117.096 176.849 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.269 14.6 ptmm? -141.0 40.66 1.8 Allowed 'General case' 0 CA--C 1.571 1.76 0 C-N-CA 125.598 1.559 . . . . 0.0 112.893 176.625 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -130.92 -65.88 0.77 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 102.588 -3.116 . . . . 0.0 102.588 177.346 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.326 30.1 m -102.85 49.04 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.84 0 CA-C-O 126.824 3.202 . . . . 0.0 110.948 175.832 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -144.68 -49.16 0.26 Allowed 'General case' 0 CA--C 1.552 1.021 1 CA-C-N 107.051 -4.613 . . . . 0.0 102.718 177.233 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -76.18 -37.98 57.19 Favored 'General case' 0 CA--C 1.559 1.29 0 CA-C-O 117.622 -1.18 . . . . 0.0 109.244 176.36 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -68.35 -26.2 65.47 Favored 'General case' 0 CA--C 1.577 1.999 0 CA-C-N 120.394 1.452 . . . . 0.0 110.768 176.506 . . . . . . . . 1 1 . 1 . 021 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 3.0 m -78.44 -52.87 14.93 Favored 'Isoleucine or valine' 0 C--N 1.366 1.286 0 CA-C-N 119.725 1.148 . . . . 0.0 111.416 177.682 . . . . . . . . 2 2 . 1 . 021 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt . . . . . 0 CA--C 1.577 1.99 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 177.133 . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 CA--C 1.569 1.699 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 0 0 . 1 . 022 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -54.4 -46.4 73.12 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.02 11.66 2.16 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 118.568 2.803 . . . . 0.0 118.568 177.012 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -141.05 18.95 2.28 Favored 'General case' 0 CA--C 1.585 2.309 0 C-N-CA 128.655 2.782 . . . . 0.0 112.304 176.648 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -129.3 -48.75 1.19 Allowed 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 128.456 2.703 . . . . 0.0 105.267 176.978 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.2 mtp -72.7 -51.7 18.24 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 104.943 -2.243 . . . . 0.0 104.943 176.448 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -61.42 -34.76 75.92 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 120.075 1.307 . . . . 0.0 111.899 176.46 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -64.72 -48.65 73.84 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.92 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -64.09 -58.15 7.49 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.039 0.936 . . . . 0.0 109.932 177.177 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.67 -44.01 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 C-N-CA 124.959 1.304 . . . . 0.0 112.97 177.03 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.25 -25.24 59.91 Favored Glycine 0 CA--C 1.551 2.32 0 N-CA-C 116.791 1.476 . . . . 0.0 116.791 176.967 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -137.58 43.03 2.31 Favored 'General case' 0 CA--C 1.576 1.948 0 C-N-CA 125.336 1.454 . . . . 0.0 111.677 176.682 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -131.59 -65.71 0.75 Allowed 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 102.609 -3.108 . . . . 0.0 102.609 177.273 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.332 28.5 m -102.32 47.4 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.881 0 CA-C-O 126.726 3.155 . . . . 0.0 111.218 175.778 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.7 t80 -143.8 -49.67 0.3 Allowed 'General case' 0 CA--C 1.555 1.159 1 CA-C-N 107.122 -4.581 . . . . 0.0 101.952 177.038 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -74.24 -38.18 63.57 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 120.18 1.355 . . . . 0.0 109.854 176.529 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -68.5 -25.35 64.91 Favored 'General case' 0 CA--C 1.578 2.045 0 CA-C-N 120.577 1.535 . . . . 0.0 110.806 176.471 . . . . . . . . 1 1 . 1 . 022 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.252 2.6 m -80.5 -53.12 13.3 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 CA-C-N 119.663 1.12 . . . . 0.0 111.593 177.727 . . . . . . . . 2 2 . 1 . 022 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.2 tttm . . . . . 0 CA--C 1.58 2.116 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 177.166 . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 . . . . . 0 CA--C 1.564 1.499 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 . . . . . . . . . 0 0 . 1 . 023 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -54.21 -46.27 72.44 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 -179.812 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.52 13.15 1.69 Allowed 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 118.942 2.941 . . . . 0.0 118.942 177.166 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -146.07 24.43 1.31 Allowed 'General case' 0 CA--C 1.588 2.41 0 C-N-CA 128.539 2.736 . . . . 0.0 111.58 176.548 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -132.89 -49.35 0.88 Allowed 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 128.609 2.763 . . . . 0.0 104.818 176.912 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.9 mtm -73.98 -52.89 11.36 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 104.712 -2.329 . . . . 0.0 104.712 176.372 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.45 -34.37 75.31 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-N 120.0 1.273 . . . . 0.0 112.006 176.477 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.99 -48.32 74.4 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.979 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -64.34 -58.14 7.35 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.911 0.884 . . . . 0.0 109.902 177.071 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -46.63 -43.47 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 C-N-CA 124.812 1.245 . . . . 0.0 112.99 177.035 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.64 -24.89 57.71 Favored Glycine 0 CA--C 1.552 2.402 0 N-CA-C 116.529 1.371 . . . . 0.0 116.529 176.887 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -141.53 48.15 1.65 Allowed 'General case' 0 CA--C 1.574 1.888 0 C-N-CA 125.228 1.411 . . . . 0.0 111.453 176.592 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -137.85 -66.15 0.5 Allowed 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 101.926 -3.361 . . . . 0.0 101.926 177.269 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.323 29.7 m -102.94 50.77 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 CA-C-O 127.023 3.297 . . . . 0.0 110.554 175.855 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -148.82 -48.93 0.15 Allowed 'General case' 0 CA--C 1.563 1.45 1 CA-C-N 106.828 -4.715 . . . . 0.0 101.398 177.207 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -70.79 -44.99 65.49 Favored 'General case' 0 C--N 1.368 1.406 0 CA-C-N 120.615 1.552 . . . . 0.0 108.679 176.458 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -71.64 -17.67 62.24 Favored 'General case' 0 CA--C 1.588 2.416 0 CA-C-N 119.359 0.981 . . . . 0.0 110.845 176.246 . . . . . . . . 1 1 . 1 . 023 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.258 25.5 t -81.5 -54.34 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 126.197 1.799 . . . . 0.0 110.201 177.616 . . . . . . . . 2 2 . 1 . 023 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.9 tttt . . . . . 0 CA--C 1.579 2.096 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 177.137 . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 CA--C 1.564 1.504 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 . . . . . . . . . 0 0 . 1 . 024 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -55.14 -46.87 75.69 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.56 11.58 2.44 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 177.075 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -141.45 19.88 2.22 Favored 'General case' 0 CA--C 1.585 2.319 0 C-N-CA 128.597 2.759 . . . . 0.0 112.31 176.58 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -129.52 -50.1 1.17 Allowed 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 128.575 2.75 . . . . 0.0 104.642 176.949 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 mtt -71.83 -52.46 17.38 Favored 'General case' 0 C--N 1.361 1.071 0 N-CA-C 105.372 -2.084 . . . . 0.0 105.372 176.472 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -61.56 -33.04 73.17 Favored 'General case' 0 CA--C 1.56 1.354 0 CA-C-N 120.019 1.282 . . . . 0.0 112.194 176.489 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -65.63 -51.88 56.16 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.147 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.295 7.9 ptm85 -65.04 -52.09 57.83 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 117.652 -1.166 . . . . 0.0 110.947 177.299 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -49.05 -44.75 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 CA-C-N 120.134 1.334 . . . . 0.0 112.697 177.06 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.77 -16.94 53.16 Favored Glycine 0 CA--C 1.555 2.563 0 N-CA-C 117.971 1.948 . . . . 0.0 117.971 176.955 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.254 22.9 pttp -142.99 38.47 1.44 Allowed 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 126.212 1.805 . . . . 0.0 113.399 176.884 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -129.21 -66.48 0.81 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 102.356 -3.201 . . . . 0.0 102.356 177.312 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.33 27.7 m -102.46 47.72 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.823 0 CA-C-O 126.729 3.157 . . . . 0.0 111.135 175.849 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -143.53 -49.64 0.31 Allowed 'General case' 0 CA--C 1.556 1.203 1 CA-C-N 107.201 -4.545 . . . . 0.0 101.919 177.04 . . . . . . . . 2 2 . 1 . 024 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -74.82 -38.63 62.0 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 120.232 1.378 . . . . 0.0 109.722 176.549 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -68.87 -22.78 64.17 Favored 'General case' 0 CA--C 1.575 1.94 0 CA-C-N 120.693 1.588 . . . . 0.0 111.194 176.484 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.98 -53.15 12.15 Favored 'Isoleucine or valine' 0 C--N 1.365 1.272 0 CA-C-N 119.875 1.216 . . . . 0.0 111.326 177.633 . . . . . . . . 1 1 . 1 . 024 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.4 tttt . . . . . 0 CA--C 1.58 2.112 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 177.192 . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 CA--C 1.567 1.597 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 . . . . . . . . . 0 0 . 1 . 025 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -57.02 -48.4 78.59 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.6 12.86 1.84 Allowed 'General case' 0 CA--C 1.567 1.609 0 N-CA-C 118.217 2.673 . . . . 0.0 118.217 177.03 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -140.56 17.97 2.36 Favored 'General case' 0 CA--C 1.584 2.269 0 C-N-CA 128.59 2.756 . . . . 0.0 112.538 176.681 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -128.86 -49.56 1.23 Allowed 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 128.383 2.673 . . . . 0.0 104.753 176.933 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.4 mtt -71.53 -51.45 23.47 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 176.434 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -61.65 -34.52 75.85 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-N 120.035 1.289 . . . . 0.0 111.989 176.539 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.01 -48.81 72.6 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.014 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -63.76 -57.98 8.28 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.015 0.926 . . . . 0.0 109.968 177.096 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.2 mt -46.93 -43.63 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 C-N-CA 124.82 1.248 . . . . 0.0 112.931 176.925 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.18 -23.22 57.21 Favored Glycine 0 CA--C 1.553 2.411 0 N-CA-C 116.803 1.481 . . . . 0.0 116.803 176.858 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -141.98 46.68 1.65 Allowed 'General case' 0 CA--C 1.575 1.904 0 C-N-CA 125.279 1.432 . . . . 0.0 111.582 176.614 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -136.48 -65.75 0.56 Allowed 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 102.383 -3.191 . . . . 0.0 102.383 177.327 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 27.8 m -102.83 47.18 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.891 0 CA-C-O 126.716 3.15 . . . . 0.0 111.169 175.762 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -144.0 -49.25 0.29 Allowed 'General case' 0 CA--C 1.556 1.199 1 CA-C-N 107.146 -4.57 . . . . 0.0 101.958 177.046 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -74.73 -38.07 62.38 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 120.187 1.358 . . . . 0.0 109.869 176.533 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -68.77 -24.99 64.49 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 120.672 1.578 . . . . 0.0 110.853 176.463 . . . . . . . . 1 1 . 1 . 025 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.252 2.5 m -80.65 -53.1 13.28 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 CA-C-N 119.652 1.115 . . . . 0.0 111.6 177.703 . . . . . . . . 2 2 . 1 . 025 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.2 tttm . . . . . 0 CA--C 1.579 2.093 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 177.166 . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 CA--C 1.564 1.499 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 . . . . . . . . . 0 0 . 1 . 026 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -54.87 -46.59 74.75 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.34 11.59 2.34 Favored 'General case' 0 CA--C 1.566 1.569 0 N-CA-C 118.603 2.816 . . . . 0.0 118.603 177.078 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -141.09 18.77 2.28 Favored 'General case' 0 CA--C 1.584 2.287 0 C-N-CA 128.639 2.775 . . . . 0.0 112.381 176.625 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -129.27 -49.75 1.19 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 128.457 2.703 . . . . 0.0 104.914 177.042 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 mtm -71.9 -51.04 24.15 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 105.291 -2.114 . . . . 0.0 105.291 176.454 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -61.76 -35.03 76.95 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-N 120.102 1.319 . . . . 0.0 111.771 176.442 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -64.37 -48.48 75.33 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.948 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.8 mtp-105 -63.32 -59.1 5.16 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.387 1.075 . . . . 0.0 109.956 177.101 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.0 mt -46.4 -43.73 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 C-N-CA 124.955 1.302 . . . . 0.0 112.981 176.99 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.14 -25.69 60.25 Favored Glycine 0 CA--C 1.551 2.34 0 N-CA-C 116.617 1.407 . . . . 0.0 116.617 176.881 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -138.16 44.17 2.16 Favored 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 125.311 1.445 . . . . 0.0 111.744 176.621 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -132.69 -65.82 0.7 Allowed 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 102.457 -3.164 . . . . 0.0 102.457 177.326 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.328 30.4 m -102.5 48.11 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.847 0 CA-C-O 126.751 3.167 . . . . 0.0 111.106 175.809 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -144.29 -49.71 0.28 Allowed 'General case' 0 CA--C 1.554 1.115 1 CA-C-N 107.052 -4.613 . . . . 0.0 102.16 177.129 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -74.7 -37.71 62.54 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 120.049 1.295 . . . . 0.0 109.691 176.437 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -68.65 -25.75 64.98 Favored 'General case' 0 CA--C 1.577 2.008 0 CA-C-N 120.432 1.469 . . . . 0.0 110.75 176.467 . . . . . . . . 1 1 . 1 . 026 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 2.8 m -79.94 -53.01 13.83 Favored 'Isoleucine or valine' 0 C--N 1.366 1.293 0 C-N-CA 124.485 1.114 . . . . 0.0 111.319 177.717 . . . . . . . . 2 2 . 1 . 026 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 tptm . . . . . 0 CA--C 1.58 2.113 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 177.088 . . . . . . . . 0 0 . 1 . 027 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . 0.258 4.0 mp0 . . . . . 0 CA--C 1.567 1.625 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 . . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -49.78 -40.62 42.09 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 177.862 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.89 8.41 4.67 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 119.789 3.255 . . . . 0.0 119.789 177.267 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -141.87 19.69 2.14 Favored 'General case' 0 CA--C 1.585 2.315 0 C-N-CA 128.44 2.696 . . . . 0.0 111.919 176.35 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.2 m170 -127.89 -48.66 1.36 Allowed 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 128.497 2.719 . . . . 0.0 105.142 176.904 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.1 mtt -73.86 -52.14 13.97 Favored 'General case' 0 C--N 1.361 1.077 0 N-CA-C 105.072 -2.196 . . . . 0.0 105.072 176.434 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -60.85 -34.21 74.24 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-N 119.942 1.246 . . . . 0.0 111.968 176.491 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.96 -49.17 71.35 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.925 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -63.34 -58.65 6.41 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.865 0.866 . . . . 0.0 110.071 177.116 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -46.09 -43.71 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 C-N-CA 124.885 1.274 . . . . 0.0 113.154 176.981 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.54 -26.59 59.91 Favored Glycine 0 CA--C 1.552 2.397 0 N-CA-C 116.413 1.325 . . . . 0.0 116.413 176.878 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -138.42 45.76 2.05 Favored 'General case' 0 CA--C 1.574 1.866 0 C-N-CA 125.301 1.44 . . . . 0.0 111.635 176.622 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -135.02 -65.45 0.62 Allowed 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 102.39 -3.189 . . . . 0.0 102.39 177.366 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.322 28.8 m -103.4 51.04 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 CA-C-O 127.035 3.302 . . . . 0.0 110.339 175.772 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -148.99 -48.85 0.15 Allowed 'General case' 0 CA--C 1.56 1.36 1 CA-C-N 106.812 -4.722 . . . . 0.0 101.691 177.319 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -70.89 -45.96 63.41 Favored 'General case' 0 CA--C 1.562 1.409 0 CA-C-N 120.278 1.399 . . . . 0.0 108.366 176.457 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.1 mmmt -71.83 -16.71 62.17 Favored 'General case' 0 CA--C 1.587 2.395 0 CA-C-N 119.612 1.096 . . . . 0.0 110.987 176.226 . . . . . . . . 1 1 . 1 . 027 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.26 22.9 t -80.27 -54.03 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 125.964 1.706 . . . . 0.0 109.373 177.394 . . . . . . . . 2 2 . 1 . 027 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.0 tptt . . . . . 0 CA--C 1.58 2.119 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 176.93 . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 CA--C 1.568 1.639 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 . . . . . . . . . 0 0 . 1 . 028 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -54.32 -46.37 72.84 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 179.754 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.22 14.46 1.48 Allowed 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 118.328 2.714 . . . . 0.0 118.328 177.001 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -144.99 21.91 1.58 Allowed 'General case' 0 CA--C 1.586 2.338 0 C-N-CA 128.837 2.855 . . . . 0.0 112.093 176.697 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -131.36 -49.4 0.99 Allowed 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 128.775 2.83 . . . . 0.0 105.017 177.03 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 mtt -73.5 -52.2 14.44 Favored 'General case' 0 C--N 1.36 1.051 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 176.382 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -61.44 -34.37 75.31 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-N 120.061 1.3 . . . . 0.0 111.929 176.445 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.65 -48.97 72.83 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.941 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -63.77 -58.58 6.41 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.947 0.899 . . . . 0.0 110.012 177.154 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.18 -43.71 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 C-N-CA 124.869 1.268 . . . . 0.0 113.129 176.997 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.68 -26.18 59.69 Favored Glycine 0 CA--C 1.551 2.311 0 N-CA-C 116.523 1.369 . . . . 0.0 116.523 176.917 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -138.54 45.44 2.05 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 125.347 1.459 . . . . 0.0 111.625 176.555 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -134.61 -65.24 0.64 Allowed 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 102.495 -3.15 . . . . 0.0 102.495 177.286 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 29.2 m -103.58 50.5 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.915 0 CA-C-O 126.98 3.276 . . . . 0.0 110.38 175.815 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -148.26 -49.0 0.16 Allowed 'General case' 0 CA--C 1.561 1.397 1 CA-C-N 106.911 -4.677 . . . . 0.0 101.516 177.256 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -70.57 -45.48 65.31 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-N 120.43 1.468 . . . . 0.0 108.388 176.404 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -70.51 -19.59 62.91 Favored 'General case' 0 CA--C 1.591 2.52 0 CA-C-N 119.397 0.999 . . . . 0.0 110.71 176.193 . . . . . . . . 1 1 . 1 . 028 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.262 24.5 t -79.02 -53.97 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 125.931 1.692 . . . . 0.0 110.28 177.573 . . . . . . . . 2 2 . 1 . 028 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 tptm . . . . . 0 CA--C 1.579 2.072 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 177.098 . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 CA--C 1.568 1.653 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 . . . . . . . . . 0 0 . 1 . 029 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -54.31 -46.24 72.78 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 179.736 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.24 14.38 1.53 Allowed 'General case' 0 CA--C 1.568 1.66 0 N-CA-C 118.415 2.746 . . . . 0.0 118.415 177.019 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -145.12 22.01 1.56 Allowed 'General case' 0 CA--C 1.586 2.357 0 C-N-CA 128.708 2.803 . . . . 0.0 112.051 176.742 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -131.39 -49.38 0.99 Allowed 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 128.739 2.816 . . . . 0.0 105.019 176.981 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 mtt -73.61 -52.1 14.56 Favored 'General case' 0 C--N 1.359 1.003 0 N-CA-C 104.816 -2.291 . . . . 0.0 104.816 176.398 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.51 -34.36 75.38 Favored 'General case' 0 CA--C 1.56 1.345 0 CA-C-N 120.111 1.323 . . . . 0.0 111.889 176.424 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.8 -48.92 72.67 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.977 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.69 -58.47 6.81 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.949 0.9 . . . . 0.0 109.957 177.102 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.44 -43.5 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 C-N-CA 124.806 1.243 . . . . 0.0 113.033 176.98 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.56 -24.95 57.54 Favored Glycine 0 CA--C 1.553 2.442 0 N-CA-C 116.51 1.364 . . . . 0.0 116.51 176.862 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.257 2.9 ttmp? -142.06 48.8 1.58 Allowed 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 125.215 1.406 . . . . 0.0 111.564 176.58 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -137.84 -65.27 0.52 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 102.138 -3.282 . . . . 0.0 102.138 177.292 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.322 29.0 m -103.47 50.01 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.577 2.005 0 CA-C-O 127.028 3.299 . . . . 0.0 110.431 175.775 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -148.54 -48.33 0.15 Allowed 'General case' 0 CA--C 1.565 1.555 1 CA-C-N 106.841 -4.709 . . . . 0.0 101.164 177.292 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.33 -45.84 65.38 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-N 120.887 1.676 . . . . 0.0 108.615 176.384 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -70.36 -19.45 63.03 Favored 'General case' 0 CA--C 1.59 2.517 0 CA-C-N 119.417 1.008 . . . . 0.0 110.792 176.237 . . . . . . . . 1 1 . 1 . 029 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.261 31.8 t -79.92 -54.59 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 125.939 1.696 . . . . 0.0 110.713 177.668 . . . . . . . . 2 2 . 1 . 029 nuclear build core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp . . . . . 0 CA--C 1.579 2.06 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 177.203 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.251 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -73.33 -156.8 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 122.084 0.945 . . . . 0.0 113.536 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -55.2 -46.98 75.91 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.21 13.72 1.76 Allowed 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 118.381 2.734 . . . . 0.0 118.381 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -143.96 20.44 1.79 Allowed 'General case' 0 CA--C 1.583 2.218 0 C-N-CA 128.513 2.725 . . . . 0.0 112.555 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -130.81 -49.28 1.04 Allowed 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 128.413 2.685 . . . . 0.0 104.564 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.6 mtt -72.26 -52.0 18.35 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -61.46 -34.74 75.95 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-N 119.969 1.259 . . . . 0.0 111.885 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.87 -48.3 74.76 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 176.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -64.1 -58.77 5.66 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.072 0.949 . . . . 0.0 109.735 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -46.18 -43.72 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 C-N-CA 124.923 1.289 . . . . 0.0 113.135 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.32 -27.22 60.24 Favored Glycine 0 CA--C 1.551 2.309 0 N-CA-C 116.4 1.32 . . . . 0.0 116.4 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -138.14 46.0 2.07 Favored 'General case' 0 CA--C 1.573 1.861 0 C-N-CA 125.235 1.414 . . . . 0.0 111.674 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -134.98 -65.5 0.62 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 102.113 -3.291 . . . . 0.0 102.113 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 30.4 m -102.71 50.66 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.897 0 CA-C-O 127.036 3.303 . . . . 0.0 110.59 175.845 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -148.6 -49.24 0.16 Allowed 'General case' 0 CA--C 1.562 1.426 1 CA-C-N 106.832 -4.713 . . . . 0.0 101.312 177.237 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -70.42 -45.04 66.7 Favored 'General case' 0 CA--C 1.562 1.436 0 CA-C-N 120.603 1.547 . . . . 0.0 108.678 176.491 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -71.44 -17.85 62.35 Favored 'General case' 0 CA--C 1.588 2.431 0 CA-C-N 119.264 0.938 . . . . 0.0 110.852 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.255 25.2 t -81.65 -54.31 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 126.16 1.784 . . . . 0.0 110.286 177.631 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.9 tttp -63.41 -14.26 48.46 Favored 'General case' 0 CA--C 1.58 2.114 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 177.146 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -86.69 -59.33 2.3 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 125.349 1.46 . . . . 0.0 111.933 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.724 0 O-C-N 120.419 -1.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.057 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -78.21 -156.85 0.1 Allowed 'General case' 0 CA--C 1.568 1.658 0 O-C-N 117.472 -3.268 . . . . 0.0 113.362 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -55.25 -51.65 65.94 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.36 1.064 . . . . 0.0 113.408 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.63 17.53 0.53 Allowed 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 117.851 2.537 . . . . 0.0 117.851 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -138.8 14.09 2.69 Favored 'General case' 0 CA--C 1.589 2.449 0 C-N-CA 129.39 3.076 . . . . 0.0 112.231 176.499 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -127.32 -45.95 1.5 Allowed 'General case' 0 CA--C 1.565 1.522 0 C-N-CA 129.57 3.148 . . . . 0.0 105.124 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.3 ptp -72.76 -51.46 19.01 Favored 'General case' 0 C--N 1.362 1.145 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 176.17 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -62.27 -35.76 79.99 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.906 1.283 . . . . 0.0 112.072 176.643 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.47 -48.2 76.13 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -63.98 -58.46 6.66 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.889 0.875 . . . . 0.0 109.987 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.2 mt -46.59 -43.44 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 C-N-CA 124.88 1.272 . . . . 0.0 112.963 176.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.13 -23.47 57.4 Favored Glycine 0 CA--C 1.553 2.452 0 N-CA-C 116.789 1.476 . . . . 0.0 116.789 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -141.87 45.94 1.67 Allowed 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 125.291 1.436 . . . . 0.0 111.698 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -136.22 -65.75 0.56 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 102.356 -3.201 . . . . 0.0 102.356 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.329 29.5 m -102.46 47.0 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.858 0 CA-C-O 126.732 3.158 . . . . 0.0 111.319 175.765 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -143.87 -50.04 0.3 Allowed 'General case' 0 CA--C 1.556 1.205 1 CA-C-N 107.138 -4.574 . . . . 0.0 101.415 177.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -73.13 -38.14 66.4 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 120.55 1.523 . . . . 0.0 110.018 176.451 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -68.48 -25.27 64.89 Favored 'General case' 0 CA--C 1.579 2.059 0 CA-C-N 120.54 1.518 . . . . 0.0 110.884 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.258 2.7 m -80.54 -53.41 12.7 Favored 'Isoleucine or valine' 0 C--N 1.366 1.286 0 CA-C-N 119.66 1.118 . . . . 0.0 111.68 177.713 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -62.02 -14.28 34.07 Favored 'General case' 0 CA--C 1.578 2.022 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -89.37 -60.52 1.93 Allowed 'General case' 0 C--N 1.356 0.891 0 C-N-CA 125.613 1.565 . . . . 0.0 111.329 177.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.776 0 O-C-N 120.423 -1.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -84.36 -147.79 0.1 Allowed 'General case' 0 CA--C 1.572 1.79 0 O-C-N 117.515 -3.24 . . . . 0.0 112.694 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -51.61 -44.47 62.89 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.236 1.414 . . . . 0.0 114.418 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.94 13.13 1.48 Allowed 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 118.248 2.684 . . . . 0.0 118.248 176.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -142.55 20.18 2.03 Favored 'General case' 0 CA--C 1.59 2.517 0 C-N-CA 129.358 3.063 . . . . 0.0 111.89 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -128.43 -50.79 1.28 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 128.947 2.899 . . . . 0.0 105.11 176.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.3 mtt -72.7 -51.95 17.22 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.48 -33.91 74.57 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 119.913 1.233 . . . . 0.0 111.78 176.462 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.2 -49.95 67.76 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.2 -57.51 11.22 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.971 0.908 . . . . 0.0 110.385 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.6 mt -47.58 -43.97 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 C-N-CA 124.807 1.243 . . . . 0.0 112.781 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.45 -20.11 54.84 Favored Glycine 0 CA--C 1.554 2.528 0 N-CA-C 117.216 1.646 . . . . 0.0 117.216 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.257 63.5 pttt -141.98 41.59 1.67 Allowed 'General case' 0 CA--C 1.572 1.804 0 C-N-CA 125.824 1.65 . . . . 0.0 112.866 176.765 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -132.62 -65.33 0.72 Allowed 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 177.367 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.326 28.7 m -103.57 50.0 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.909 0 CA-C-O 126.93 3.252 . . . . 0.0 110.493 175.816 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -147.79 -48.79 0.17 Allowed 'General case' 0 CA--C 1.563 1.453 1 CA-C-N 106.988 -4.642 . . . . 0.0 101.187 177.159 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.51 -45.63 65.24 Favored 'General case' 0 C--N 1.369 1.43 0 CA-C-N 120.747 1.612 . . . . 0.0 108.449 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -70.41 -19.04 63.02 Favored 'General case' 0 CA--C 1.591 2.519 0 CA-C-N 119.506 1.048 . . . . 0.0 110.877 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.258 25.4 t -80.26 -54.42 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 125.962 1.705 . . . . 0.0 110.543 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -63.58 -14.11 48.3 Favored 'General case' 0 CA--C 1.579 2.087 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 177.161 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -87.38 -59.78 2.16 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 125.376 1.471 . . . . 0.0 111.685 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.785 0 O-C-N 120.342 -1.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.24 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -75.62 -155.04 0.05 OUTLIER 'General case' 0 CA--C 1.568 1.653 0 O-C-N 124.14 0.9 . . . . 0.0 113.053 . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -55.41 -46.7 76.63 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.24 11.91 2.14 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 118.626 2.824 . . . . 0.0 118.626 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -141.69 19.97 2.17 Favored 'General case' 0 CA--C 1.586 2.328 0 C-N-CA 128.654 2.782 . . . . 0.0 112.258 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -130.19 -48.23 1.1 Allowed 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 128.561 2.744 . . . . 0.0 105.384 177.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.2 mtp -73.75 -51.85 15.14 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -61.27 -34.72 75.65 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 120.198 1.363 . . . . 0.0 111.914 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -64.46 -48.9 73.53 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -64.07 -58.08 7.72 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.867 0.867 . . . . 0.0 110.141 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -46.66 -43.79 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 C-N-CA 124.869 1.268 . . . . 0.0 112.974 176.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.16 -22.65 56.09 Favored Glycine 0 CA--C 1.554 2.47 0 N-CA-C 116.869 1.508 . . . . 0.0 116.869 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.269 24.5 pttm -141.79 43.51 1.71 Allowed 'General case' 0 CA--C 1.572 1.792 0 C-N-CA 125.52 1.528 . . . . 0.0 112.687 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -134.14 -65.1 0.67 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 102.574 -3.121 . . . . 0.0 102.574 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.32 28.3 m -103.89 50.45 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.907 0 CA-C-O 126.96 3.267 . . . . 0.0 110.383 175.829 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -148.4 -48.66 0.16 Allowed 'General case' 0 CA--C 1.562 1.407 1 CA-C-N 106.932 -4.667 . . . . 0.0 101.557 177.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -71.07 -45.54 63.58 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 120.413 1.46 . . . . 0.0 108.244 176.432 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -70.61 -19.2 62.86 Favored 'General case' 0 CA--C 1.59 2.486 0 CA-C-N 119.493 1.042 . . . . 0.0 110.748 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.264 24.5 t -79.03 -53.87 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 C-N-CA 125.961 1.704 . . . . 0.0 110.083 177.592 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -61.19 -19.61 61.8 Favored 'General case' 0 CA--C 1.578 2.051 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 177.05 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -82.68 -58.74 2.77 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 125.055 1.342 . . . . 0.0 112.335 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.78 0 O-C-N 120.461 -1.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.243 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -75.67 -155.09 0.05 OUTLIER 'General case' 0 CA--C 1.568 1.648 0 O-C-N 124.135 0.897 . . . . 0.0 113.005 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -55.34 -46.62 76.38 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.56 12.11 2.18 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 118.49 2.774 . . . . 0.0 118.49 177.049 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -141.6 19.74 2.19 Favored 'General case' 0 CA--C 1.586 2.329 0 C-N-CA 128.688 2.795 . . . . 0.0 112.293 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -129.78 -50.53 1.14 Allowed 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 128.591 2.756 . . . . 0.0 104.654 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 mtt -71.46 -51.77 22.02 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 105.215 -2.142 . . . . 0.0 105.215 176.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -61.32 -33.69 74.01 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-N 120.035 1.289 . . . . 0.0 112.045 176.485 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -64.59 -49.98 69.01 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -65.24 -57.09 9.36 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 118.17 -0.919 . . . . 0.0 109.947 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.7 mt -46.23 -43.78 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 C-N-CA 124.661 1.184 . . . . 0.0 113.262 177.11 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.63 -24.36 56.73 Favored Glycine 0 CA--C 1.553 2.46 0 N-CA-C 116.732 1.453 . . . . 0.0 116.732 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -142.16 47.75 1.6 Allowed 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 125.359 1.464 . . . . 0.0 111.497 176.603 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -137.62 -65.69 0.52 Allowed 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 102.234 -3.247 . . . . 0.0 102.234 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.321 28.8 m -103.73 50.22 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.921 0 CA-C-O 126.993 3.283 . . . . 0.0 110.431 175.808 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -148.17 -48.96 0.16 Allowed 'General case' 0 CA--C 1.561 1.382 1 CA-C-N 106.957 -4.656 . . . . 0.0 101.425 177.298 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -70.79 -45.14 65.21 Favored 'General case' 0 CA--C 1.562 1.44 0 CA-C-N 120.637 1.562 . . . . 0.0 108.364 176.42 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -70.33 -20.04 63.02 Favored 'General case' 0 CA--C 1.59 2.51 0 CA-C-N 119.491 1.042 . . . . 0.0 110.675 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.261 24.2 t -78.61 -54.73 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 125.961 1.704 . . . . 0.0 110.088 177.555 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -64.95 -10.29 28.0 Favored 'General case' 0 CA--C 1.577 1.984 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 177.118 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -88.83 -60.2 2.02 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 125.314 1.446 . . . . 0.0 111.52 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.712 0 O-C-N 120.326 -1.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.249 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -75.65 -155.24 0.05 OUTLIER 'General case' 0 CA--C 1.568 1.638 0 O-C-N 124.113 0.883 . . . . 0.0 113.119 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -54.73 -46.01 74.19 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.96 13.49 1.73 Allowed 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 118.679 2.844 . . . . 0.0 118.679 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -144.43 21.11 1.7 Allowed 'General case' 0 CA--C 1.585 2.289 0 C-N-CA 128.508 2.723 . . . . 0.0 112.272 176.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -130.65 -48.72 1.05 Allowed 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 128.66 2.784 . . . . 0.0 105.058 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.6 mtt -73.88 -52.04 14.26 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -61.22 -34.26 74.82 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 120.057 1.299 . . . . 0.0 111.87 176.374 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.84 -49.82 69.1 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -62.5 -57.54 10.81 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.042 0.937 . . . . 0.0 110.396 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -47.53 -44.01 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 C-N-CA 124.827 1.251 . . . . 0.0 112.747 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.25 -20.83 55.59 Favored Glycine 0 CA--C 1.554 2.504 0 N-CA-C 117.101 1.6 . . . . 0.0 117.101 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.256 63.7 pttt -141.37 41.48 1.76 Allowed 'General case' 0 CA--C 1.572 1.806 0 C-N-CA 125.782 1.633 . . . . 0.0 112.967 176.73 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -132.38 -65.71 0.72 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 102.165 -3.272 . . . . 0.0 102.165 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 30.2 m -102.9 50.63 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.898 0 CA-C-O 126.96 3.267 . . . . 0.0 110.549 175.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -148.31 -49.12 0.16 Allowed 'General case' 0 CA--C 1.562 1.431 1 CA-C-N 106.908 -4.678 . . . . 0.0 101.289 177.176 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -70.7 -45.17 65.46 Favored 'General case' 0 CA--C 1.563 1.449 0 CA-C-N 120.709 1.595 . . . . 0.0 108.525 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -71.13 -17.77 62.54 Favored 'General case' 0 CA--C 1.588 2.407 0 CA-C-N 119.332 0.969 . . . . 0.0 110.985 176.224 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.256 25.1 t -81.83 -54.49 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 126.212 1.805 . . . . 0.0 110.325 177.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -63.6 -13.84 45.85 Favored 'General case' 0 CA--C 1.579 2.061 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -86.89 -59.3 2.3 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.349 1.46 . . . . 0.0 111.951 177.836 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.72 0 O-C-N 120.467 -1.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.233 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -75.45 -155.09 0.05 OUTLIER 'General case' 0 CA--C 1.568 1.643 0 O-C-N 124.143 0.902 . . . . 0.0 113.09 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -55.31 -46.84 76.28 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.98 11.82 2.07 Favored 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 118.682 2.845 . . . . 0.0 118.682 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -141.7 19.94 2.17 Favored 'General case' 0 CA--C 1.585 2.31 0 C-N-CA 128.661 2.784 . . . . 0.0 112.295 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -130.27 -48.15 1.09 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 128.561 2.744 . . . . 0.0 105.417 177.022 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.5 mtm -73.79 -51.81 15.19 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 104.724 -2.324 . . . . 0.0 104.724 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -61.46 -34.68 75.85 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 120.109 1.322 . . . . 0.0 111.914 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.54 -48.81 73.7 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.86 -58.56 6.42 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.957 0.903 . . . . 0.0 110.015 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -46.25 -43.73 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 C-N-CA 124.893 1.277 . . . . 0.0 113.091 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.68 -26.18 59.7 Favored Glycine 0 CA--C 1.552 2.344 0 N-CA-C 116.531 1.373 . . . . 0.0 116.531 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -138.36 45.06 2.09 Favored 'General case' 0 CA--C 1.574 1.897 0 C-N-CA 125.357 1.463 . . . . 0.0 111.59 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -134.04 -65.68 0.65 Allowed 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 102.439 -3.171 . . . . 0.0 102.439 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 29.2 m -103.43 50.99 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.883 0 CA-C-O 127.003 3.287 . . . . 0.0 110.382 175.806 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -148.45 -49.21 0.16 Allowed 'General case' 0 CA--C 1.561 1.377 1 CA-C-N 106.874 -4.693 . . . . 0.0 101.496 177.29 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.7 -45.37 65.09 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-N 120.345 1.43 . . . . 0.0 108.277 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -71.14 -17.71 62.54 Favored 'General case' 0 CA--C 1.588 2.431 0 CA-C-N 119.353 0.979 . . . . 0.0 110.912 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.26 24.0 t -80.95 -54.08 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 126.032 1.733 . . . . 0.0 109.978 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.33 -16.49 54.63 Favored 'General case' 0 CA--C 1.579 2.085 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -85.91 -59.53 2.28 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 125.251 1.42 . . . . 0.0 111.791 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 O-C-N 120.401 -1.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.282 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -75.03 -158.37 0.08 Allowed 'General case' 0 CA--C 1.567 1.614 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -56.47 -52.79 63.39 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.368 1.067 . . . . 0.0 113.111 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.16 17.56 0.45 Allowed 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 117.856 2.539 . . . . 0.0 117.856 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -138.21 13.92 2.82 Favored 'General case' 0 CA--C 1.589 2.463 0 C-N-CA 129.392 3.077 . . . . 0.0 112.311 176.457 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -126.69 -48.12 1.53 Allowed 'General case' 0 CA--C 1.563 1.479 0 C-N-CA 129.607 3.163 . . . . 0.0 104.351 176.751 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -70.36 -52.47 22.29 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 176.266 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -62.03 -34.12 75.64 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-N 119.74 1.155 . . . . 0.0 112.462 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.17 -50.4 66.09 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.3 32.4 ptt180 -66.33 -53.4 36.79 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 117.683 -1.151 . . . . 0.0 110.48 177.181 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -47.93 -43.98 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 CA-C-N 120.141 1.337 . . . . 0.0 112.945 177.064 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.47 -21.9 55.25 Favored Glycine 0 CA--C 1.554 2.499 0 N-CA-C 117.238 1.655 . . . . 0.0 117.238 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -142.87 44.87 1.59 Allowed 'General case' 0 CA--C 1.576 1.949 0 C-N-CA 125.613 1.565 . . . . 0.0 112.153 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -135.47 -65.84 0.59 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 102.233 -3.247 . . . . 0.0 102.233 177.293 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.327 28.8 m -102.55 47.24 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.878 0 CA-C-O 126.73 3.157 . . . . 0.0 111.169 175.782 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -143.75 -49.54 0.3 Allowed 'General case' 0 CA--C 1.556 1.198 1 CA-C-N 107.175 -4.557 . . . . 0.0 101.751 177.042 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.17 -38.66 63.61 Favored 'General case' 0 C--N 1.362 1.141 0 CA-C-N 120.262 1.392 . . . . 0.0 109.891 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -68.23 -25.22 65.09 Favored 'General case' 0 CA--C 1.578 2.032 0 CA-C-N 120.617 1.553 . . . . 0.0 110.904 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.25 2.6 m -80.57 -52.9 13.67 Favored 'Isoleucine or valine' 0 C--N 1.365 1.242 0 CA-C-N 119.697 1.135 . . . . 0.0 111.626 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.26 -16.06 41.41 Favored 'General case' 0 CA--C 1.58 2.102 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 177.159 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -88.16 -60.47 1.96 Allowed 'General case' 0 C--N 1.356 0.876 0 C-N-CA 125.663 1.585 . . . . 0.0 111.064 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.748 0 O-C-N 120.375 -1.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.278 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -74.58 -161.59 0.13 Allowed 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -57.22 -53.84 53.58 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 124.148 0.979 . . . . 0.0 113.059 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.37 20.55 0.4 Allowed 'General case' 0 CA--C 1.574 1.879 0 N-CA-C 117.38 2.363 . . . . 0.0 117.38 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -141.53 15.41 2.18 Favored 'General case' 0 CA--C 1.589 2.467 0 C-N-CA 129.484 3.114 . . . . 0.0 112.295 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -128.48 -46.68 1.31 Allowed 'General case' 0 CA--C 1.566 1.566 0 C-N-CA 129.721 3.209 . . . . 0.0 104.746 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -72.63 -52.32 15.88 Favored 'General case' 0 C--N 1.363 1.163 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 176.136 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.72 -35.58 78.46 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 119.939 1.245 . . . . 0.0 112.047 176.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.3 -49.43 71.8 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -63.01 -57.41 10.78 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.893 0.877 . . . . 0.0 110.468 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.8 mt -47.39 -44.04 8.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 C-N-CA 124.902 1.281 . . . . 0.0 112.798 176.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.65 -20.1 55.8 Favored Glycine 0 CA--C 1.554 2.52 0 N-CA-C 117.329 1.692 . . . . 0.0 117.329 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.257 63.9 pttt -141.16 39.55 1.77 Allowed 'General case' 0 CA--C 1.572 1.793 0 C-N-CA 125.777 1.631 . . . . 0.0 112.978 176.792 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -130.0 -66.55 0.78 Allowed 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 102.253 -3.24 . . . . 0.0 102.253 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.33 29.1 m -101.63 47.98 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.838 0 CA-C-O 126.705 3.145 . . . . 0.0 111.341 175.868 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -144.17 -49.62 0.29 Allowed 'General case' 0 CA--C 1.556 1.185 1 CA-C-N 107.14 -4.573 . . . . 0.0 102.099 177.06 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.05 -38.11 61.49 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 120.191 1.36 . . . . 0.0 109.962 176.531 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -69.46 -22.86 63.61 Favored 'General case' 0 CA--C 1.576 1.946 0 CA-C-N 120.618 1.554 . . . . 0.0 110.981 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.78 -53.2 12.13 Favored 'Isoleucine or valine' 0 C--N 1.366 1.294 0 CA-C-N 119.883 1.22 . . . . 0.0 111.338 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -61.59 -15.63 40.8 Favored 'General case' 0 CA--C 1.58 2.102 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -88.85 -60.54 1.93 Allowed 'General case' 0 C--N 1.356 0.877 0 C-N-CA 125.528 1.531 . . . . 0.0 111.334 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.731 0 O-C-N 120.418 -1.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -77.48 -151.83 0.05 OUTLIER 'General case' 0 CA--C 1.57 1.735 0 O-C-N 124.213 0.946 . . . . 0.0 113.215 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -51.23 -45.46 61.95 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.4 14.66 1.17 Allowed 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 118.513 2.783 . . . . 0.0 118.513 177.035 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -145.99 22.28 1.4 Allowed 'General case' 0 CA--C 1.587 2.393 0 C-N-CA 128.993 2.917 . . . . 0.0 112.11 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -130.82 -50.13 1.04 Allowed 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 128.947 2.899 . . . . 0.0 104.861 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.8 mtm -73.39 -52.42 13.86 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 176.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.37 -33.96 74.53 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 119.947 1.248 . . . . 0.0 111.916 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.05 -48.88 72.24 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.63 -58.27 7.46 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.998 0.919 . . . . 0.0 110.007 177.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -46.68 -43.64 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 C-N-CA 124.806 1.243 . . . . 0.0 112.982 176.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.04 -23.92 57.76 Favored Glycine 0 CA--C 1.551 2.343 0 N-CA-C 116.707 1.443 . . . . 0.0 116.707 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -141.68 47.19 1.66 Allowed 'General case' 0 CA--C 1.574 1.902 0 C-N-CA 125.219 1.408 . . . . 0.0 111.544 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -136.49 -65.86 0.55 Allowed 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 102.28 -3.23 . . . . 0.0 102.28 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.326 28.4 m -102.52 47.13 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.91 0 CA-C-O 126.733 3.159 . . . . 0.0 111.2 175.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -143.98 -49.51 0.29 Allowed 'General case' 0 CA--C 1.556 1.19 1 CA-C-N 107.136 -4.574 . . . . 0.0 101.852 177.09 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.32 -37.79 63.5 Favored 'General case' 0 C--N 1.362 1.118 0 CA-C-N 120.342 1.428 . . . . 0.0 110.001 176.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -68.41 -26.86 65.75 Favored 'General case' 0 CA--C 1.577 1.989 0 CA-C-N 120.597 1.544 . . . . 0.0 110.536 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 2.5 m -79.17 -52.97 14.3 Favored 'Isoleucine or valine' 0 C--N 1.364 1.226 0 CA-C-N 119.634 1.106 . . . . 0.0 111.869 177.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.34 -16.03 42.0 Favored 'General case' 0 CA--C 1.579 2.09 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -87.47 -59.42 2.25 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 125.427 1.491 . . . . 0.0 111.555 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.764 0 O-C-N 120.46 -1.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -77.16 -152.38 0.05 OUTLIER 'General case' 0 CA--C 1.57 1.746 0 O-C-N 124.203 0.939 . . . . 0.0 113.331 . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -52.14 -45.71 65.12 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 178.311 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.03 12.12 1.95 Allowed 'General case' 0 CA--C 1.568 1.64 0 N-CA-C 118.448 2.759 . . . . 0.0 118.448 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -142.58 21.71 2.01 Favored 'General case' 0 CA--C 1.589 2.458 0 C-N-CA 129.092 2.957 . . . . 0.0 111.919 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -130.37 -49.99 1.09 Allowed 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 128.865 2.866 . . . . 0.0 105.09 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 mtt -73.04 -52.01 15.96 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 105.099 -2.186 . . . . 0.0 105.099 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -61.55 -33.92 74.67 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 119.898 1.226 . . . . 0.0 111.868 176.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.19 -48.69 72.55 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -64.19 -58.16 7.4 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.76 0.824 . . . . 0.0 109.802 177.105 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -46.52 -43.53 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 C-N-CA 124.802 1.241 . . . . 0.0 113.051 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.74 -24.26 57.0 Favored Glycine 0 CA--C 1.554 2.475 0 N-CA-C 116.639 1.415 . . . . 0.0 116.639 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -142.15 48.36 1.58 Allowed 'General case' 0 CA--C 1.574 1.903 0 C-N-CA 125.224 1.41 . . . . 0.0 111.4 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -138.2 -65.54 0.51 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 102.329 -3.212 . . . . 0.0 102.329 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.321 27.6 m -103.75 49.95 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.96 0 CA-C-O 127.007 3.289 . . . . 0.0 110.5 175.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -148.36 -48.47 0.16 Allowed 'General case' 0 CA--C 1.563 1.479 1 CA-C-N 106.884 -4.689 . . . . 0.0 101.3 177.234 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.57 -45.7 64.9 Favored 'General case' 0 C--N 1.368 1.391 0 CA-C-N 120.732 1.605 . . . . 0.0 108.513 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -70.75 -19.01 62.77 Favored 'General case' 0 CA--C 1.59 2.485 0 CA-C-N 119.534 1.061 . . . . 0.0 110.836 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.26 27.6 t -79.89 -54.28 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 125.964 1.706 . . . . 0.0 110.494 177.639 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -63.48 -14.34 49.9 Favored 'General case' 0 CA--C 1.58 2.1 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 177.197 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -86.08 -59.27 2.34 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 125.278 1.431 . . . . 0.0 111.998 177.821 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.744 0 O-C-N 120.469 -1.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' B ACE . . . . . 0.449 ' H1 ' ' HD2' ' A' ' 4' ' ' LYS . . . . . . . . 0 C--O 1.234 0.273 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.03 -161.79 0.13 Allowed 'General case' 0 CA--C 1.562 1.433 0 CA-C-O 122.757 1.265 . . . . 0.0 113.738 . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -57.12 -53.9 52.87 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.607 1.163 . . . . 0.0 112.65 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.74 19.19 0.4 Allowed 'General case' 0 CA--C 1.573 1.834 0 N-CA-C 117.482 2.401 . . . . 0.0 117.482 176.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' LYS . . . . . 0.449 ' HD2' ' H1 ' ' A' ' 1' B ACE . 1.6 ttmp? -138.69 12.56 2.71 Favored 'General case' 0 CA--C 1.586 2.354 0 C-N-CA 129.201 3.001 . . . . 0.0 112.609 176.552 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -126.69 -47.15 1.55 Allowed 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 129.273 3.029 . . . . 0.0 104.184 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -70.18 -51.7 29.09 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 176.295 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -61.99 -35.55 78.84 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.754 1.221 . . . . 0.0 112.232 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.92 -47.95 75.9 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 123.352 0.661 . . . . 0.0 109.303 176.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -64.82 -57.86 7.75 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.683 0.793 . . . . 0.0 109.672 177.121 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.8 mt -46.66 -43.42 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 C-N-CA 124.8 1.24 . . . . 0.0 113.016 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.43 -24.42 56.06 Favored Glycine 0 CA--C 1.554 2.495 0 N-CA-C 116.615 1.406 . . . . 0.0 116.615 176.873 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -142.22 48.16 1.58 Allowed 'General case' 0 CA--C 1.575 1.934 0 C-N-CA 125.301 1.44 . . . . 0.0 111.471 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -138.63 -65.34 0.5 Allowed 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 102.064 -3.31 . . . . 0.0 102.064 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.297 33.0 m -103.63 51.26 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.862 0 CA-C-O 127.176 3.369 . . . . 0.0 110.365 175.703 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -150.73 -48.43 0.12 Allowed 'General case' 0 CA--C 1.562 1.409 1 CA-C-N 106.874 -4.694 . . . . 0.0 101.849 177.277 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -71.83 -45.38 61.64 Favored 'General case' 0 C--N 1.366 1.312 0 CA-C-N 120.459 1.481 . . . . 0.0 108.906 176.621 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -75.18 -11.13 60.01 Favored 'General case' 0 CA--C 1.588 2.42 0 CA-C-N 119.83 1.196 . . . . 0.0 111.281 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.6 t -85.98 -54.19 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 126.402 1.881 . . . . 0.0 109.731 177.495 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -63.76 -13.96 48.36 Favored 'General case' 0 CA--C 1.579 2.062 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -88.15 -59.43 2.24 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 125.334 1.453 . . . . 0.0 111.647 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.789 0 O-C-N 120.392 -1.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -78.55 -153.56 0.07 Allowed 'General case' 0 CA--C 1.569 1.68 0 O-C-N 117.462 -3.274 . . . . 0.0 112.964 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -54.1 -46.04 72.0 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.4 12.03 2.15 Favored 'General case' 0 CA--C 1.567 1.632 0 N-CA-C 118.557 2.799 . . . . 0.0 118.557 176.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -141.84 20.14 2.15 Favored 'General case' 0 CA--C 1.586 2.364 0 C-N-CA 128.735 2.814 . . . . 0.0 112.18 176.628 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -130.18 -49.98 1.1 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 128.585 2.754 . . . . 0.0 104.966 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.3 mtp -72.08 -51.6 20.79 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 105.05 -2.204 . . . . 0.0 105.05 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -61.38 -33.42 73.62 Favored 'General case' 0 CA--C 1.561 1.393 0 CA-C-N 120.033 1.288 . . . . 0.0 111.947 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.73 -50.2 67.83 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -64.52 -57.81 8.15 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 118.409 -0.805 . . . . 0.0 109.997 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.0 mt -45.51 -43.85 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 C-N-CA 124.672 1.189 . . . . 0.0 113.534 177.123 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.42 -26.74 59.82 Favored Glycine 0 CA--C 1.552 2.402 0 N-CA-C 116.525 1.37 . . . . 0.0 116.525 176.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -138.56 45.69 2.04 Favored 'General case' 0 CA--C 1.575 1.917 0 C-N-CA 125.344 1.457 . . . . 0.0 111.601 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -134.74 -65.01 0.65 Allowed 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 102.487 -3.153 . . . . 0.0 102.487 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.323 27.7 m -103.61 50.22 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.933 0 CA-C-O 126.991 3.281 . . . . 0.0 110.427 175.765 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -148.61 -48.88 0.15 Allowed 'General case' 0 CA--C 1.562 1.434 1 CA-C-N 106.918 -4.674 . . . . 0.0 101.32 177.186 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -70.34 -45.81 65.43 Favored 'General case' 0 C--N 1.368 1.395 0 CA-C-N 120.658 1.572 . . . . 0.0 108.622 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -71.41 -18.32 62.35 Favored 'General case' 0 CA--C 1.59 2.486 0 CA-C-N 119.701 1.137 . . . . 0.0 110.924 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.257 25.0 t -79.49 -54.27 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 125.928 1.691 . . . . 0.0 109.999 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.54 -12.12 41.36 Favored 'General case' 0 CA--C 1.581 2.135 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 177.044 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -83.4 -59.01 2.59 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.554 1.542 . . . . 0.0 111.535 177.736 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.734 0 O-C-N 120.527 -1.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.234 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . 0.264 4.0 mp0 52.77 -148.05 0.44 Allowed 'General case' 0 CA--C 1.566 1.587 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -53.3 -41.17 65.34 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 177.819 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.09 11.43 2.78 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 119.669 3.211 . . . . 0.0 119.669 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -146.55 24.03 1.25 Allowed 'General case' 0 CA--C 1.586 2.331 0 C-N-CA 128.447 2.699 . . . . 0.0 111.552 176.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -131.81 -49.55 0.96 Allowed 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 128.758 2.823 . . . . 0.0 104.768 176.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.2 mtt -73.84 -52.71 12.14 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 176.321 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.21 -34.09 74.54 Favored 'General case' 0 CA--C 1.561 1.373 0 CA-C-N 119.963 1.256 . . . . 0.0 111.841 176.501 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.11 -48.88 72.07 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.67 -58.31 7.31 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.932 0.893 . . . . 0.0 109.976 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.62 -43.53 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 C-N-CA 124.814 1.246 . . . . 0.0 112.96 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.72 -24.39 57.13 Favored Glycine 0 CA--C 1.553 2.445 0 N-CA-C 116.608 1.403 . . . . 0.0 116.608 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -141.97 48.25 1.6 Allowed 'General case' 0 CA--C 1.573 1.849 0 C-N-CA 125.278 1.431 . . . . 0.0 111.433 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -138.13 -65.89 0.5 Allowed 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 102.172 -3.27 . . . . 0.0 102.172 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.318 29.0 m -103.69 51.06 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.915 0 CA-C-O 127.03 3.3 . . . . 0.0 110.273 175.827 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -149.09 -48.66 0.14 Allowed 'General case' 0 CA--C 1.562 1.432 1 CA-C-N 106.844 -4.707 . . . . 0.0 101.654 177.317 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -71.07 -45.8 63.11 Favored 'General case' 0 CA--C 1.562 1.404 0 CA-C-N 120.352 1.433 . . . . 0.0 108.415 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -71.71 -16.72 62.24 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-N 119.516 1.053 . . . . 0.0 110.955 176.156 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.261 24.5 t -80.81 -53.76 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 C-N-CA 126.019 1.727 . . . . 0.0 109.693 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -61.08 -19.82 61.88 Favored 'General case' 0 CA--C 1.578 2.048 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -83.73 -59.49 2.41 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 125.169 1.388 . . . . 0.0 111.741 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.739 0 O-C-N 120.332 -1.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.23 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -74.65 -161.94 0.15 Allowed 'General case' 0 CA--C 1.564 1.499 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -57.16 -53.94 52.44 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.148 0.979 . . . . 0.0 113.02 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.21 20.44 0.39 Allowed 'General case' 0 CA--C 1.574 1.875 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -141.35 15.81 2.21 Favored 'General case' 0 CA--C 1.589 2.479 0 C-N-CA 129.387 3.075 . . . . 0.0 112.345 176.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -128.66 -48.98 1.26 Allowed 'General case' 0 CA--C 1.563 1.46 0 C-N-CA 129.729 3.211 . . . . 0.0 104.076 176.774 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -70.27 -52.36 23.52 Favored 'General case' 0 C--N 1.363 1.181 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 176.209 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -61.68 -34.7 76.19 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-N 119.809 1.186 . . . . 0.0 112.243 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.19 -49.44 72.02 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.44 0.696 . . . . 0.0 109.192 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -65.78 -56.98 9.13 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.053 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -46.12 -43.94 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 124.743 1.217 . . . . 0.0 113.29 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.01 -24.11 57.93 Favored Glycine 0 CA--C 1.553 2.429 0 N-CA-C 116.847 1.499 . . . . 0.0 116.847 176.962 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -141.44 46.3 1.71 Allowed 'General case' 0 CA--C 1.575 1.907 0 C-N-CA 125.39 1.476 . . . . 0.0 111.609 176.617 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -135.82 -67.16 0.53 Allowed 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 177.239 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 29.8 m -101.65 48.54 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.782 0 CA-C-O 126.808 3.194 . . . . 0.0 111.207 175.896 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -144.66 -49.21 0.26 Allowed 'General case' 0 CA--C 1.554 1.108 1 CA-C-N 107.072 -4.604 . . . . 0.0 102.585 177.103 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -75.84 -37.7 58.76 Favored 'General case' 0 CA--C 1.556 1.182 0 CA-C-N 119.848 1.203 . . . . 0.0 109.842 176.458 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -69.93 -23.25 63.18 Favored 'General case' 0 CA--C 1.576 1.972 0 CA-C-N 120.412 1.46 . . . . 0.0 110.798 176.465 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 m -81.65 -52.98 13.07 Favored 'Isoleucine or valine' 0 C--N 1.366 1.325 0 CA-C-N 119.892 1.224 . . . . 0.0 111.078 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -60.51 -18.03 49.29 Favored 'General case' 0 CA--C 1.58 2.122 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 177.125 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -86.47 -60.09 2.1 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 125.298 1.439 . . . . 0.0 111.602 177.646 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 O-C-N 120.452 -1.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.207 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 46.97 -137.73 0.72 Allowed 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -51.05 -43.71 60.99 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.555 1.542 . . . . 0.0 114.838 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.48 13.55 1.95 Allowed 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 118.932 2.938 . . . . 0.0 118.932 177.132 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -145.27 19.79 1.56 Allowed 'General case' 0 CA--C 1.585 2.312 0 C-N-CA 128.717 2.807 . . . . 0.0 112.166 176.63 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.7 m170 -128.92 -49.05 1.23 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 128.596 2.759 . . . . 0.0 104.851 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.4 mtt -73.65 -52.29 13.86 Favored 'General case' 0 C--N 1.361 1.084 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 176.376 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.0 -33.73 73.71 Favored 'General case' 0 CA--C 1.561 1.375 0 CA-C-N 119.981 1.264 . . . . 0.0 112.022 176.478 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -65.3 -48.97 71.27 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -64.39 -57.62 8.79 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.501 0.72 . . . . 0.0 110.003 177.133 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.0 mt -46.66 -43.55 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 C-N-CA 124.76 1.224 . . . . 0.0 113.151 176.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.45 -25.19 57.57 Favored Glycine 0 CA--C 1.553 2.425 0 N-CA-C 116.506 1.362 . . . . 0.0 116.506 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -141.47 48.19 1.65 Allowed 'General case' 0 CA--C 1.574 1.871 0 C-N-CA 125.18 1.392 . . . . 0.0 111.528 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -137.57 -65.88 0.52 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 101.866 -3.383 . . . . 0.0 101.866 177.278 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.322 30.1 m -102.77 50.69 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.953 0 CA-C-O 127.034 3.302 . . . . 0.0 110.527 175.847 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -148.82 -48.82 0.15 Allowed 'General case' 0 CA--C 1.564 1.495 1 CA-C-N 106.791 -4.731 . . . . 0.0 101.283 177.235 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -70.6 -45.25 65.68 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-N 120.709 1.595 . . . . 0.0 108.663 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -71.34 -17.72 62.42 Favored 'General case' 0 CA--C 1.588 2.423 0 CA-C-N 119.206 0.912 . . . . 0.0 110.923 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.255 25.5 t -81.83 -54.4 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 126.127 1.771 . . . . 0.0 110.27 177.655 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -63.65 -13.99 47.69 Favored 'General case' 0 CA--C 1.58 2.1 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 177.156 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -87.84 -59.75 2.16 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 125.391 1.476 . . . . 0.0 111.63 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.766 0 O-C-N 120.377 -1.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -75.11 -151.87 0.03 OUTLIER 'General case' 0 CA--C 1.568 1.645 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -50.61 -44.94 57.24 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 125.298 1.439 . . . . 0.0 114.877 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.01 14.46 1.4 Allowed 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 118.466 2.765 . . . . 0.0 118.466 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -146.19 23.01 1.35 Allowed 'General case' 0 CA--C 1.587 2.401 0 C-N-CA 129.078 2.951 . . . . 0.0 111.931 176.65 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -131.25 -49.96 1.01 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 128.98 2.912 . . . . 0.0 105.012 176.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.3 mtp -73.85 -52.51 12.78 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 176.416 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.29 -33.93 74.37 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-N 119.972 1.26 . . . . 0.0 111.973 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.86 -49.03 72.13 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -63.72 -58.5 6.68 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.78 0.832 . . . . 0.0 110.095 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.9 mt -46.2 -43.61 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.128 0 C-N-CA 124.775 1.23 . . . . 0.0 113.156 177.05 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.61 -26.41 59.85 Favored Glycine 0 CA--C 1.552 2.369 0 N-CA-C 116.471 1.349 . . . . 0.0 116.471 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -138.46 45.61 2.05 Favored 'General case' 0 CA--C 1.574 1.872 0 C-N-CA 125.335 1.454 . . . . 0.0 111.664 176.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -134.89 -65.45 0.62 Allowed 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 102.406 -3.183 . . . . 0.0 102.406 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 28.2 m -103.2 50.57 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.924 0 CA-C-O 127.021 3.296 . . . . 0.0 110.483 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -148.78 -48.75 0.15 Allowed 'General case' 0 CA--C 1.563 1.445 1 CA-C-N 106.802 -4.727 . . . . 0.0 101.284 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.29 -46.19 64.82 Favored 'General case' 0 C--N 1.368 1.413 0 CA-C-N 120.737 1.608 . . . . 0.0 108.521 176.513 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -71.72 -16.15 62.22 Favored 'General case' 0 CA--C 1.587 2.372 0 CA-C-N 119.691 1.132 . . . . 0.0 111.279 176.214 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.255 27.0 t -82.23 -54.03 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 126.058 1.743 . . . . 0.0 110.224 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -63.8 -13.58 45.47 Favored 'General case' 0 CA--C 1.579 2.086 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 177.184 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -85.96 -59.31 2.34 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 125.314 1.446 . . . . 0.0 111.933 177.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.758 0 O-C-N 120.518 -1.364 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -77.23 -151.68 0.04 OUTLIER 'General case' 0 CA--C 1.57 1.739 0 O-C-N 124.243 0.964 . . . . 0.0 113.222 . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t -51.51 -45.47 62.91 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.84 12.3 1.79 Allowed 'General case' 0 CA--C 1.569 1.694 0 N-CA-C 118.576 2.806 . . . . 0.0 118.576 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -142.6 20.71 2.02 Favored 'General case' 0 CA--C 1.588 2.422 0 C-N-CA 129.107 2.963 . . . . 0.0 112.067 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -129.35 -50.9 1.18 Allowed 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 128.784 2.834 . . . . 0.0 104.821 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.3 mtp -71.93 -52.07 19.0 Favored 'General case' 0 C--N 1.36 1.046 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -61.29 -33.93 74.37 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-N 119.887 1.221 . . . . 0.0 111.992 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.25 -49.46 69.53 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -63.19 -57.53 10.19 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.894 0.878 . . . . 0.0 110.216 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -47.28 -43.72 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 C-N-CA 124.763 1.225 . . . . 0.0 112.83 176.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.79 -21.41 55.23 Favored Glycine 0 CA--C 1.553 2.456 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 176.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.267 14.6 ptmm? -141.21 40.71 1.78 Allowed 'General case' 0 CA--C 1.572 1.822 0 C-N-CA 125.561 1.544 . . . . 0.0 112.92 176.668 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -131.17 -65.63 0.77 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 102.602 -3.11 . . . . 0.0 102.602 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 28.8 m -102.64 47.6 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.847 0 CA-C-O 126.744 3.164 . . . . 0.0 111.22 175.809 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -144.0 -49.12 0.29 Allowed 'General case' 0 CA--C 1.554 1.105 1 CA-C-N 107.15 -4.568 . . . . 0.0 102.269 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -75.23 -37.67 60.95 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 120.045 1.293 . . . . 0.0 109.685 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -68.35 -27.09 65.95 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-N 120.5 1.5 . . . . 0.0 110.485 176.427 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.257 2.7 m -78.37 -52.85 15.0 Favored 'Isoleucine or valine' 0 C--N 1.365 1.276 0 CA-C-N 119.749 1.159 . . . . 0.0 111.655 177.713 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -59.62 -20.76 58.12 Favored 'General case' 0 CA--C 1.579 2.059 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.23 -59.96 2.23 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 125.218 1.407 . . . . 0.0 111.715 177.731 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.793 0 O-C-N 120.394 -1.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -77.66 -141.29 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.533 0 O-C-N 124.328 1.018 . . . . 0.0 113.599 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -51.45 -45.8 62.82 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.71 13.76 1.55 Allowed 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 118.854 2.909 . . . . 0.0 118.854 177.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -145.57 21.34 1.5 Allowed 'General case' 0 CA--C 1.586 2.336 0 C-N-CA 128.766 2.827 . . . . 0.0 112.155 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -130.42 -49.13 1.08 Allowed 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 128.766 2.826 . . . . 0.0 104.953 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.1 mtp -73.77 -52.22 13.88 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 104.931 -2.248 . . . . 0.0 104.931 176.399 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.17 -34.23 74.7 Favored 'General case' 0 CA--C 1.561 1.37 0 CA-C-N 119.995 1.27 . . . . 0.0 111.932 176.489 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.96 -48.88 72.47 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.62 -58.31 7.35 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.974 0.909 . . . . 0.0 110.012 177.087 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -46.71 -43.56 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 C-N-CA 124.787 1.235 . . . . 0.0 112.966 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.25 -23.5 57.72 Favored Glycine 0 CA--C 1.553 2.408 0 N-CA-C 116.717 1.447 . . . . 0.0 116.717 176.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -141.8 46.79 1.66 Allowed 'General case' 0 CA--C 1.574 1.874 0 C-N-CA 125.269 1.428 . . . . 0.0 111.466 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -136.39 -66.11 0.55 Allowed 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 102.284 -3.228 . . . . 0.0 102.284 177.291 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 29.1 m -102.7 47.81 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.862 0 CA-C-O 126.769 3.176 . . . . 0.0 111.108 175.78 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -144.24 -49.16 0.28 Allowed 'General case' 0 CA--C 1.554 1.123 1 CA-C-N 107.144 -4.571 . . . . 0.0 102.29 177.143 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.23 -37.91 60.85 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 119.975 1.261 . . . . 0.0 109.649 176.432 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -68.67 -25.55 64.86 Favored 'General case' 0 CA--C 1.579 2.067 0 CA-C-N 120.521 1.51 . . . . 0.0 110.693 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 2.8 m -79.73 -53.03 13.9 Favored 'Isoleucine or valine' 0 C--N 1.365 1.276 0 CA-C-N 119.714 1.143 . . . . 0.0 111.389 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -60.48 -18.03 48.94 Favored 'General case' 0 CA--C 1.58 2.125 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -86.48 -60.11 2.09 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 125.349 1.46 . . . . 0.0 111.566 177.744 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.77 0 O-C-N 120.401 -1.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -84.21 -150.74 0.12 Allowed 'General case' 0 CA--C 1.571 1.766 0 O-C-N 117.523 -3.236 . . . . 0.0 113.05 . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -51.85 -49.74 62.29 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.03 1.332 . . . . 0.0 113.253 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.09 21.23 0.34 Allowed 'General case' 0 CA--C 1.578 2.041 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 tmtp? -144.01 19.83 1.78 Allowed 'General case' 0 CA--C 1.595 2.7 0 C-N-CA 130.06 3.344 . . . . 0.0 111.621 176.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -130.36 -49.49 1.08 Allowed 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 130.02 3.328 . . . . 0.0 104.117 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 15.1 ptm -71.98 -52.6 16.3 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -62.33 -35.06 77.91 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 124.691 1.196 . . . . 0.0 112.096 176.687 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -64.86 -47.55 77.52 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -65.01 -58.48 5.99 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.731 0.812 . . . . 0.0 109.741 177.125 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.6 mt -46.04 -43.48 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 124.779 1.231 . . . . 0.0 113.222 177.022 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.38 -26.84 59.85 Favored Glycine 0 CA--C 1.551 2.293 0 N-CA-C 116.449 1.34 . . . . 0.0 116.449 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -138.55 46.11 2.02 Favored 'General case' 0 CA--C 1.573 1.852 0 C-N-CA 125.383 1.473 . . . . 0.0 111.529 176.601 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -135.1 -65.51 0.61 Allowed 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 102.464 -3.162 . . . . 0.0 102.464 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 27.3 m -103.08 50.0 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.932 0 CA-C-O 127.025 3.298 . . . . 0.0 110.579 175.779 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -147.73 -48.77 0.17 Allowed 'General case' 0 CA--C 1.562 1.44 1 CA-C-N 106.904 -4.68 . . . . 0.0 101.469 177.281 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -70.27 -45.5 66.27 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-N 120.436 1.471 . . . . 0.0 108.378 176.418 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -68.98 -23.84 64.16 Favored 'General case' 0 CA--C 1.587 2.389 0 CA-C-N 119.339 0.972 . . . . 0.0 110.24 176.134 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.272 25.1 t -74.97 -53.7 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 125.653 1.581 . . . . 0.0 110.628 177.629 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -61.49 -19.43 62.05 Favored 'General case' 0 CA--C 1.579 2.083 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 177.004 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -82.31 -59.88 2.4 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 125.133 1.373 . . . . 0.0 111.824 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.761 0 O-C-N 120.313 -1.492 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -77.53 -151.75 0.05 OUTLIER 'General case' 0 CA--C 1.569 1.707 0 O-C-N 124.234 0.959 . . . . 0.0 113.234 . . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -51.39 -45.02 62.33 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 178.026 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.78 14.64 1.27 Allowed 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 118.45 2.759 . . . . 0.0 118.45 177.013 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -145.97 22.19 1.41 Allowed 'General case' 0 CA--C 1.586 2.362 0 C-N-CA 129.04 2.936 . . . . 0.0 112.123 176.682 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -130.66 -50.1 1.06 Allowed 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 128.932 2.893 . . . . 0.0 104.86 176.912 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.4 mtp -73.39 -52.49 13.59 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 104.964 -2.235 . . . . 0.0 104.964 176.459 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.2 -33.94 74.28 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-N 119.969 1.259 . . . . 0.0 111.963 176.496 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.19 -49.18 70.79 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 176.935 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.25 -57.86 9.05 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.966 0.906 . . . . 0.0 110.16 177.078 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.9 mt -47.01 -43.71 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 C-N-CA 124.773 1.229 . . . . 0.0 112.864 176.949 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.8 -21.68 55.76 Favored Glycine 0 CA--C 1.553 2.407 0 N-CA-C 117.096 1.598 . . . . 0.0 117.096 176.849 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.269 14.6 ptmm? -141.0 40.66 1.8 Allowed 'General case' 0 CA--C 1.571 1.76 0 C-N-CA 125.598 1.559 . . . . 0.0 112.893 176.625 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -130.92 -65.88 0.77 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 102.588 -3.116 . . . . 0.0 102.588 177.346 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.326 30.1 m -102.85 49.04 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.84 0 CA-C-O 126.824 3.202 . . . . 0.0 110.948 175.832 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -144.68 -49.16 0.26 Allowed 'General case' 0 CA--C 1.552 1.021 1 CA-C-N 107.051 -4.613 . . . . 0.0 102.718 177.233 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -76.18 -37.98 57.19 Favored 'General case' 0 CA--C 1.559 1.29 0 CA-C-O 117.622 -1.18 . . . . 0.0 109.244 176.36 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -68.35 -26.2 65.47 Favored 'General case' 0 CA--C 1.577 1.999 0 CA-C-N 120.394 1.452 . . . . 0.0 110.768 176.506 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 3.0 m -78.44 -52.87 14.93 Favored 'Isoleucine or valine' 0 C--N 1.366 1.286 0 CA-C-N 119.725 1.148 . . . . 0.0 111.416 177.682 . . . . . . . . 2 2 . 1 . 021 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -62.7 -13.61 34.43 Favored 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 177.133 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -88.53 -59.11 2.32 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 125.285 1.434 . . . . 0.0 111.59 177.705 . . . . . . . . 1 1 . 1 . 021 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.727 0 O-C-N 120.489 -1.382 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -78.62 -153.32 0.07 Allowed 'General case' 0 CA--C 1.569 1.699 0 O-C-N 117.451 -3.281 . . . . 0.0 112.891 . . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -54.4 -46.4 73.12 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.02 11.66 2.16 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 118.568 2.803 . . . . 0.0 118.568 177.012 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -141.05 18.95 2.28 Favored 'General case' 0 CA--C 1.585 2.309 0 C-N-CA 128.655 2.782 . . . . 0.0 112.304 176.648 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -129.3 -48.75 1.19 Allowed 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 128.456 2.703 . . . . 0.0 105.267 176.978 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.2 mtp -72.7 -51.7 18.24 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 104.943 -2.243 . . . . 0.0 104.943 176.448 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -61.42 -34.76 75.92 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 120.075 1.307 . . . . 0.0 111.899 176.46 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -64.72 -48.65 73.84 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.92 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -64.09 -58.15 7.49 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.039 0.936 . . . . 0.0 109.932 177.177 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.67 -44.01 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 C-N-CA 124.959 1.304 . . . . 0.0 112.97 177.03 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.25 -25.24 59.91 Favored Glycine 0 CA--C 1.551 2.32 0 N-CA-C 116.791 1.476 . . . . 0.0 116.791 176.967 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -137.58 43.03 2.31 Favored 'General case' 0 CA--C 1.576 1.948 0 C-N-CA 125.336 1.454 . . . . 0.0 111.677 176.682 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -131.59 -65.71 0.75 Allowed 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 102.609 -3.108 . . . . 0.0 102.609 177.273 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.332 28.5 m -102.32 47.4 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.881 0 CA-C-O 126.726 3.155 . . . . 0.0 111.218 175.778 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.7 t80 -143.8 -49.67 0.3 Allowed 'General case' 0 CA--C 1.555 1.159 1 CA-C-N 107.122 -4.581 . . . . 0.0 101.952 177.038 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -74.24 -38.18 63.57 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 120.18 1.355 . . . . 0.0 109.854 176.529 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -68.5 -25.35 64.91 Favored 'General case' 0 CA--C 1.578 2.045 0 CA-C-N 120.577 1.535 . . . . 0.0 110.806 176.471 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.252 2.6 m -80.5 -53.12 13.3 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 CA-C-N 119.663 1.12 . . . . 0.0 111.593 177.727 . . . . . . . . 2 2 . 1 . 022 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -61.18 -16.35 43.73 Favored 'General case' 0 CA--C 1.58 2.116 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 177.166 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -87.2 -59.41 2.26 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 125.415 1.486 . . . . 0.0 111.654 177.621 . . . . . . . . 1 1 . 1 . 022 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.762 0 O-C-N 120.45 -1.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.189 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -76.83 -141.57 0.02 OUTLIER 'General case' 0 CA--C 1.564 1.499 0 O-C-N 124.284 0.99 . . . . 0.0 113.488 . . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -54.21 -46.27 72.44 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 -179.812 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.52 13.15 1.69 Allowed 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 118.942 2.941 . . . . 0.0 118.942 177.166 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -146.07 24.43 1.31 Allowed 'General case' 0 CA--C 1.588 2.41 0 C-N-CA 128.539 2.736 . . . . 0.0 111.58 176.548 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -132.89 -49.35 0.88 Allowed 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 128.609 2.763 . . . . 0.0 104.818 176.912 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.9 mtm -73.98 -52.89 11.36 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 104.712 -2.329 . . . . 0.0 104.712 176.372 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.45 -34.37 75.31 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-N 120.0 1.273 . . . . 0.0 112.006 176.477 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.99 -48.32 74.4 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.979 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -64.34 -58.14 7.35 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.911 0.884 . . . . 0.0 109.902 177.071 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -46.63 -43.47 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 C-N-CA 124.812 1.245 . . . . 0.0 112.99 177.035 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.64 -24.89 57.71 Favored Glycine 0 CA--C 1.552 2.402 0 N-CA-C 116.529 1.371 . . . . 0.0 116.529 176.887 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -141.53 48.15 1.65 Allowed 'General case' 0 CA--C 1.574 1.888 0 C-N-CA 125.228 1.411 . . . . 0.0 111.453 176.592 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -137.85 -66.15 0.5 Allowed 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 101.926 -3.361 . . . . 0.0 101.926 177.269 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.323 29.7 m -102.94 50.77 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 CA-C-O 127.023 3.297 . . . . 0.0 110.554 175.855 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -148.82 -48.93 0.15 Allowed 'General case' 0 CA--C 1.563 1.45 1 CA-C-N 106.828 -4.715 . . . . 0.0 101.398 177.207 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -70.79 -44.99 65.49 Favored 'General case' 0 C--N 1.368 1.406 0 CA-C-N 120.615 1.552 . . . . 0.0 108.679 176.458 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -71.64 -17.67 62.24 Favored 'General case' 0 CA--C 1.588 2.416 0 CA-C-N 119.359 0.981 . . . . 0.0 110.845 176.246 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.258 25.5 t -81.5 -54.34 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 126.197 1.799 . . . . 0.0 110.201 177.616 . . . . . . . . 2 2 . 1 . 023 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -63.49 -14.3 49.51 Favored 'General case' 0 CA--C 1.579 2.096 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 177.137 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -87.89 -60.08 2.07 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.534 1.533 . . . . 0.0 111.29 177.817 . . . . . . . . 1 1 . 1 . 023 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.757 0 O-C-N 120.304 -1.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.249 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -73.46 -156.33 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.504 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 . . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -55.14 -46.87 75.69 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.56 11.58 2.44 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 177.075 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -141.45 19.88 2.22 Favored 'General case' 0 CA--C 1.585 2.319 0 C-N-CA 128.597 2.759 . . . . 0.0 112.31 176.58 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -129.52 -50.1 1.17 Allowed 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 128.575 2.75 . . . . 0.0 104.642 176.949 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 mtt -71.83 -52.46 17.38 Favored 'General case' 0 C--N 1.361 1.071 0 N-CA-C 105.372 -2.084 . . . . 0.0 105.372 176.472 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -61.56 -33.04 73.17 Favored 'General case' 0 CA--C 1.56 1.354 0 CA-C-N 120.019 1.282 . . . . 0.0 112.194 176.489 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -65.63 -51.88 56.16 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.147 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.295 7.9 ptm85 -65.04 -52.09 57.83 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 117.652 -1.166 . . . . 0.0 110.947 177.299 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -49.05 -44.75 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 CA-C-N 120.134 1.334 . . . . 0.0 112.697 177.06 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.77 -16.94 53.16 Favored Glycine 0 CA--C 1.555 2.563 0 N-CA-C 117.971 1.948 . . . . 0.0 117.971 176.955 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.254 22.9 pttp -142.99 38.47 1.44 Allowed 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 126.212 1.805 . . . . 0.0 113.399 176.884 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -129.21 -66.48 0.81 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 102.356 -3.201 . . . . 0.0 102.356 177.312 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.33 27.7 m -102.46 47.72 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.823 0 CA-C-O 126.729 3.157 . . . . 0.0 111.135 175.849 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -143.53 -49.64 0.31 Allowed 'General case' 0 CA--C 1.556 1.203 1 CA-C-N 107.201 -4.545 . . . . 0.0 101.919 177.04 . . . . . . . . 2 2 . 1 . 024 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -74.82 -38.63 62.0 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 120.232 1.378 . . . . 0.0 109.722 176.549 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -68.87 -22.78 64.17 Favored 'General case' 0 CA--C 1.575 1.94 0 CA-C-N 120.693 1.588 . . . . 0.0 111.194 176.484 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.98 -53.15 12.15 Favored 'Isoleucine or valine' 0 C--N 1.365 1.272 0 CA-C-N 119.875 1.216 . . . . 0.0 111.326 177.633 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -61.59 -15.67 41.22 Favored 'General case' 0 CA--C 1.58 2.112 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 177.192 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -88.85 -60.46 1.95 Allowed 'General case' 0 C--N 1.356 0.865 0 C-N-CA 125.492 1.517 . . . . 0.0 111.343 177.715 . . . . . . . . 1 1 . 1 . 024 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.766 0 O-C-N 120.381 -1.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.28 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -75.09 -157.83 0.07 Allowed 'General case' 0 CA--C 1.567 1.597 0 O-C-N 124.08 0.863 . . . . 0.0 113.132 . . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -57.02 -48.4 78.59 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.6 12.86 1.84 Allowed 'General case' 0 CA--C 1.567 1.609 0 N-CA-C 118.217 2.673 . . . . 0.0 118.217 177.03 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -140.56 17.97 2.36 Favored 'General case' 0 CA--C 1.584 2.269 0 C-N-CA 128.59 2.756 . . . . 0.0 112.538 176.681 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -128.86 -49.56 1.23 Allowed 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 128.383 2.673 . . . . 0.0 104.753 176.933 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.4 mtt -71.53 -51.45 23.47 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 176.434 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -61.65 -34.52 75.85 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-N 120.035 1.289 . . . . 0.0 111.989 176.539 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.01 -48.81 72.6 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.014 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -63.76 -57.98 8.28 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.015 0.926 . . . . 0.0 109.968 177.096 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.2 mt -46.93 -43.63 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 C-N-CA 124.82 1.248 . . . . 0.0 112.931 176.925 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.18 -23.22 57.21 Favored Glycine 0 CA--C 1.553 2.411 0 N-CA-C 116.803 1.481 . . . . 0.0 116.803 176.858 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -141.98 46.68 1.65 Allowed 'General case' 0 CA--C 1.575 1.904 0 C-N-CA 125.279 1.432 . . . . 0.0 111.582 176.614 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -136.48 -65.75 0.56 Allowed 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 102.383 -3.191 . . . . 0.0 102.383 177.327 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 27.8 m -102.83 47.18 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.891 0 CA-C-O 126.716 3.15 . . . . 0.0 111.169 175.762 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -144.0 -49.25 0.29 Allowed 'General case' 0 CA--C 1.556 1.199 1 CA-C-N 107.146 -4.57 . . . . 0.0 101.958 177.046 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -74.73 -38.07 62.38 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 120.187 1.358 . . . . 0.0 109.869 176.533 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -68.77 -24.99 64.49 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 120.672 1.578 . . . . 0.0 110.853 176.463 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.252 2.5 m -80.65 -53.1 13.28 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 CA-C-N 119.652 1.115 . . . . 0.0 111.6 177.703 . . . . . . . . 2 2 . 1 . 025 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -61.4 -16.18 43.96 Favored 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 177.166 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -87.79 -60.32 2.0 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 125.493 1.517 . . . . 0.0 111.394 177.67 . . . . . . . . 1 1 . 1 . 025 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.754 0 O-C-N 120.389 -1.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.271 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.69 -155.8 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.499 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 . . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -54.87 -46.59 74.75 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.34 11.59 2.34 Favored 'General case' 0 CA--C 1.566 1.569 0 N-CA-C 118.603 2.816 . . . . 0.0 118.603 177.078 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -141.09 18.77 2.28 Favored 'General case' 0 CA--C 1.584 2.287 0 C-N-CA 128.639 2.775 . . . . 0.0 112.381 176.625 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -129.27 -49.75 1.19 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 128.457 2.703 . . . . 0.0 104.914 177.042 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 mtm -71.9 -51.04 24.15 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 105.291 -2.114 . . . . 0.0 105.291 176.454 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -61.76 -35.03 76.95 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-N 120.102 1.319 . . . . 0.0 111.771 176.442 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -64.37 -48.48 75.33 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.948 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.8 mtp-105 -63.32 -59.1 5.16 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.387 1.075 . . . . 0.0 109.956 177.101 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.0 mt -46.4 -43.73 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 C-N-CA 124.955 1.302 . . . . 0.0 112.981 176.99 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.14 -25.69 60.25 Favored Glycine 0 CA--C 1.551 2.34 0 N-CA-C 116.617 1.407 . . . . 0.0 116.617 176.881 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -138.16 44.17 2.16 Favored 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 125.311 1.445 . . . . 0.0 111.744 176.621 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -132.69 -65.82 0.7 Allowed 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 102.457 -3.164 . . . . 0.0 102.457 177.326 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.328 30.4 m -102.5 48.11 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.847 0 CA-C-O 126.751 3.167 . . . . 0.0 111.106 175.809 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -144.29 -49.71 0.28 Allowed 'General case' 0 CA--C 1.554 1.115 1 CA-C-N 107.052 -4.613 . . . . 0.0 102.16 177.129 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -74.7 -37.71 62.54 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 120.049 1.295 . . . . 0.0 109.691 176.437 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -68.65 -25.75 64.98 Favored 'General case' 0 CA--C 1.577 2.008 0 CA-C-N 120.432 1.469 . . . . 0.0 110.75 176.467 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 2.8 m -79.94 -53.01 13.83 Favored 'Isoleucine or valine' 0 C--N 1.366 1.293 0 C-N-CA 124.485 1.114 . . . . 0.0 111.319 177.717 . . . . . . . . 2 2 . 1 . 026 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -60.54 -17.78 48.09 Favored 'General case' 0 CA--C 1.58 2.113 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 177.088 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -86.73 -60.23 2.05 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 125.439 1.496 . . . . 0.0 111.493 177.73 . . . . . . . . 1 1 . 1 . 026 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.767 0 O-C-N 120.395 -1.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.275 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . 0.258 4.0 mp0 53.08 -150.03 0.37 Allowed 'General case' 0 CA--C 1.567 1.625 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 . . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -49.78 -40.62 42.09 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 177.862 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.89 8.41 4.67 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 119.789 3.255 . . . . 0.0 119.789 177.267 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -141.87 19.69 2.14 Favored 'General case' 0 CA--C 1.585 2.315 0 C-N-CA 128.44 2.696 . . . . 0.0 111.919 176.35 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.2 m170 -127.89 -48.66 1.36 Allowed 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 128.497 2.719 . . . . 0.0 105.142 176.904 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.1 mtt -73.86 -52.14 13.97 Favored 'General case' 0 C--N 1.361 1.077 0 N-CA-C 105.072 -2.196 . . . . 0.0 105.072 176.434 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -60.85 -34.21 74.24 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-N 119.942 1.246 . . . . 0.0 111.968 176.491 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.96 -49.17 71.35 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.925 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -63.34 -58.65 6.41 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.865 0.866 . . . . 0.0 110.071 177.116 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -46.09 -43.71 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 C-N-CA 124.885 1.274 . . . . 0.0 113.154 176.981 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.54 -26.59 59.91 Favored Glycine 0 CA--C 1.552 2.397 0 N-CA-C 116.413 1.325 . . . . 0.0 116.413 176.878 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -138.42 45.76 2.05 Favored 'General case' 0 CA--C 1.574 1.866 0 C-N-CA 125.301 1.44 . . . . 0.0 111.635 176.622 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -135.02 -65.45 0.62 Allowed 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 102.39 -3.189 . . . . 0.0 102.39 177.366 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.322 28.8 m -103.4 51.04 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 CA-C-O 127.035 3.302 . . . . 0.0 110.339 175.772 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -148.99 -48.85 0.15 Allowed 'General case' 0 CA--C 1.56 1.36 1 CA-C-N 106.812 -4.722 . . . . 0.0 101.691 177.319 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -70.89 -45.96 63.41 Favored 'General case' 0 CA--C 1.562 1.409 0 CA-C-N 120.278 1.399 . . . . 0.0 108.366 176.457 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.1 mmmt -71.83 -16.71 62.17 Favored 'General case' 0 CA--C 1.587 2.395 0 CA-C-N 119.612 1.096 . . . . 0.0 110.987 176.226 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.26 22.9 t -80.27 -54.03 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 125.964 1.706 . . . . 0.0 109.373 177.394 . . . . . . . . 2 2 . 1 . 027 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -62.79 -15.77 55.15 Favored 'General case' 0 CA--C 1.58 2.119 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 176.93 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -81.85 -59.16 2.68 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 125.399 1.479 . . . . 0.0 111.803 177.827 . . . . . . . . 1 1 . 1 . 027 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.74 0 O-C-N 120.501 -1.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -78.93 -154.02 0.07 Allowed 'General case' 0 CA--C 1.568 1.639 0 O-C-N 117.444 -3.285 . . . . 0.0 113.014 . . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -54.32 -46.37 72.84 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 179.754 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.22 14.46 1.48 Allowed 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 118.328 2.714 . . . . 0.0 118.328 177.001 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -144.99 21.91 1.58 Allowed 'General case' 0 CA--C 1.586 2.338 0 C-N-CA 128.837 2.855 . . . . 0.0 112.093 176.697 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -131.36 -49.4 0.99 Allowed 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 128.775 2.83 . . . . 0.0 105.017 177.03 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 mtt -73.5 -52.2 14.44 Favored 'General case' 0 C--N 1.36 1.051 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 176.382 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -61.44 -34.37 75.31 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-N 120.061 1.3 . . . . 0.0 111.929 176.445 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.65 -48.97 72.83 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.941 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -63.77 -58.58 6.41 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.947 0.899 . . . . 0.0 110.012 177.154 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.18 -43.71 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 C-N-CA 124.869 1.268 . . . . 0.0 113.129 176.997 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.68 -26.18 59.69 Favored Glycine 0 CA--C 1.551 2.311 0 N-CA-C 116.523 1.369 . . . . 0.0 116.523 176.917 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -138.54 45.44 2.05 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 125.347 1.459 . . . . 0.0 111.625 176.555 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -134.61 -65.24 0.64 Allowed 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 102.495 -3.15 . . . . 0.0 102.495 177.286 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 29.2 m -103.58 50.5 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.915 0 CA-C-O 126.98 3.276 . . . . 0.0 110.38 175.815 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -148.26 -49.0 0.16 Allowed 'General case' 0 CA--C 1.561 1.397 1 CA-C-N 106.911 -4.677 . . . . 0.0 101.516 177.256 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -70.57 -45.48 65.31 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-N 120.43 1.468 . . . . 0.0 108.388 176.404 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -70.51 -19.59 62.91 Favored 'General case' 0 CA--C 1.591 2.52 0 CA-C-N 119.397 0.999 . . . . 0.0 110.71 176.193 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.262 24.5 t -79.02 -53.97 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 125.931 1.692 . . . . 0.0 110.28 177.573 . . . . . . . . 2 2 . 1 . 028 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.47 -16.29 54.57 Favored 'General case' 0 CA--C 1.579 2.072 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 177.098 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -84.93 -59.14 2.43 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 125.248 1.419 . . . . 0.0 112.128 177.832 . . . . . . . . 1 1 . 1 . 028 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.773 0 O-C-N 120.45 -1.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear build full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -78.85 -154.04 0.07 Allowed 'General case' 0 CA--C 1.568 1.653 0 O-C-N 117.476 -3.265 . . . . 0.0 112.876 . . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -54.31 -46.24 72.78 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 179.736 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.24 14.38 1.53 Allowed 'General case' 0 CA--C 1.568 1.66 0 N-CA-C 118.415 2.746 . . . . 0.0 118.415 177.019 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -145.12 22.01 1.56 Allowed 'General case' 0 CA--C 1.586 2.357 0 C-N-CA 128.708 2.803 . . . . 0.0 112.051 176.742 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -131.39 -49.38 0.99 Allowed 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 128.739 2.816 . . . . 0.0 105.019 176.981 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 mtt -73.61 -52.1 14.56 Favored 'General case' 0 C--N 1.359 1.003 0 N-CA-C 104.816 -2.291 . . . . 0.0 104.816 176.398 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.51 -34.36 75.38 Favored 'General case' 0 CA--C 1.56 1.345 0 CA-C-N 120.111 1.323 . . . . 0.0 111.889 176.424 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.8 -48.92 72.67 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.977 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.69 -58.47 6.81 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.949 0.9 . . . . 0.0 109.957 177.102 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.44 -43.5 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 C-N-CA 124.806 1.243 . . . . 0.0 113.033 176.98 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.56 -24.95 57.54 Favored Glycine 0 CA--C 1.553 2.442 0 N-CA-C 116.51 1.364 . . . . 0.0 116.51 176.862 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.257 2.9 ttmp? -142.06 48.8 1.58 Allowed 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 125.215 1.406 . . . . 0.0 111.564 176.58 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -137.84 -65.27 0.52 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 102.138 -3.282 . . . . 0.0 102.138 177.292 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.322 29.0 m -103.47 50.01 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.577 2.005 0 CA-C-O 127.028 3.299 . . . . 0.0 110.431 175.775 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -148.54 -48.33 0.15 Allowed 'General case' 0 CA--C 1.565 1.555 1 CA-C-N 106.841 -4.709 . . . . 0.0 101.164 177.292 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.33 -45.84 65.38 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-N 120.887 1.676 . . . . 0.0 108.615 176.384 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -70.36 -19.45 63.03 Favored 'General case' 0 CA--C 1.59 2.517 0 CA-C-N 119.417 1.008 . . . . 0.0 110.792 176.237 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.261 31.8 t -79.92 -54.59 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 125.939 1.696 . . . . 0.0 110.713 177.668 . . . . . . . . 2 2 . 1 . 029 nuclear build full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -64.21 -13.02 46.17 Favored 'General case' 0 CA--C 1.579 2.06 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 177.203 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -87.12 -59.31 2.29 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 125.334 1.454 . . . . 0.0 111.925 177.789 . . . . . . . . 1 1 . 1 . 029 nuclear build full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 O-C-N 120.454 -1.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 . . . . . 0 N--CA 1.489 1.51 0 CA-C-O 122.084 0.945 . . . . 0.0 113.536 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -55.2 -46.98 75.91 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.21 13.72 1.76 Allowed 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 118.381 2.734 . . . . 0.0 118.381 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -143.96 20.44 1.79 Allowed 'General case' 0 CA--C 1.583 2.218 0 C-N-CA 128.513 2.725 . . . . 0.0 112.555 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -130.81 -49.28 1.04 Allowed 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 128.413 2.685 . . . . 0.0 104.564 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.6 mtt -72.26 -52.0 18.35 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -61.46 -34.74 75.95 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-N 119.969 1.259 . . . . 0.0 111.885 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.87 -48.3 74.76 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 176.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -64.1 -58.77 5.66 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.072 0.949 . . . . 0.0 109.735 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -46.18 -43.72 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 C-N-CA 124.923 1.289 . . . . 0.0 113.135 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.32 -27.22 60.24 Favored Glycine 0 CA--C 1.551 2.309 0 N-CA-C 116.4 1.32 . . . . 0.0 116.4 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -138.14 46.0 2.07 Favored 'General case' 0 CA--C 1.573 1.861 0 C-N-CA 125.235 1.414 . . . . 0.0 111.674 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -134.98 -65.5 0.62 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 102.113 -3.291 . . . . 0.0 102.113 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 30.4 m -102.71 50.66 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.897 0 CA-C-O 127.036 3.303 . . . . 0.0 110.59 175.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -148.6 -49.24 0.16 Allowed 'General case' 0 CA--C 1.562 1.426 1 CA-C-N 106.832 -4.713 . . . . 0.0 101.312 177.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -70.42 -45.04 66.7 Favored 'General case' 0 CA--C 1.562 1.436 0 CA-C-N 120.603 1.547 . . . . 0.0 108.678 176.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -71.44 -17.85 62.35 Favored 'General case' 0 CA--C 1.588 2.431 0 CA-C-N 119.264 0.938 . . . . 0.0 110.852 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.255 25.2 t -81.65 -54.31 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 126.16 1.784 . . . . 0.0 110.286 177.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.9 tttp . . . . . 0 CA--C 1.58 2.114 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 177.146 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 CA--C 1.568 1.658 0 N-CA-C 113.362 0.875 . . . . 0.0 113.362 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -55.25 -51.65 65.94 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.36 1.064 . . . . 0.0 113.408 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.63 17.53 0.53 Allowed 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 117.851 2.537 . . . . 0.0 117.851 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -138.8 14.09 2.69 Favored 'General case' 0 CA--C 1.589 2.449 0 C-N-CA 129.39 3.076 . . . . 0.0 112.231 176.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -127.32 -45.95 1.5 Allowed 'General case' 0 CA--C 1.565 1.522 0 C-N-CA 129.57 3.148 . . . . 0.0 105.124 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.3 ptp -72.76 -51.46 19.01 Favored 'General case' 0 C--N 1.362 1.145 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 176.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -62.27 -35.76 79.99 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.906 1.283 . . . . 0.0 112.072 176.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.47 -48.2 76.13 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -63.98 -58.46 6.66 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.889 0.875 . . . . 0.0 109.987 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.2 mt -46.59 -43.44 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 C-N-CA 124.88 1.272 . . . . 0.0 112.963 176.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.13 -23.47 57.4 Favored Glycine 0 CA--C 1.553 2.452 0 N-CA-C 116.789 1.476 . . . . 0.0 116.789 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -141.87 45.94 1.67 Allowed 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 125.291 1.436 . . . . 0.0 111.698 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -136.22 -65.75 0.56 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 102.356 -3.201 . . . . 0.0 102.356 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.329 29.5 m -102.46 47.0 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.858 0 CA-C-O 126.732 3.158 . . . . 0.0 111.319 175.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -143.87 -50.04 0.3 Allowed 'General case' 0 CA--C 1.556 1.205 1 CA-C-N 107.138 -4.574 . . . . 0.0 101.415 177.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -73.13 -38.14 66.4 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 120.55 1.523 . . . . 0.0 110.018 176.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -68.48 -25.27 64.89 Favored 'General case' 0 CA--C 1.579 2.059 0 CA-C-N 120.54 1.518 . . . . 0.0 110.884 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.258 2.7 m -80.54 -53.41 12.7 Favored 'Isoleucine or valine' 0 C--N 1.366 1.286 0 CA-C-N 119.66 1.118 . . . . 0.0 111.68 177.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt . . . . . 0 CA--C 1.578 2.022 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.148 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 CA--C 1.572 1.79 0 CA-C-O 121.843 0.83 . . . . 0.0 112.694 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -51.61 -44.47 62.89 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.236 1.414 . . . . 0.0 114.418 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.94 13.13 1.48 Allowed 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 118.248 2.684 . . . . 0.0 118.248 176.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -142.55 20.18 2.03 Favored 'General case' 0 CA--C 1.59 2.517 0 C-N-CA 129.358 3.063 . . . . 0.0 111.89 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -128.43 -50.79 1.28 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 128.947 2.899 . . . . 0.0 105.11 176.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.3 mtt -72.7 -51.95 17.22 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.48 -33.91 74.57 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 119.913 1.233 . . . . 0.0 111.78 176.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.2 -49.95 67.76 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.2 -57.51 11.22 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.971 0.908 . . . . 0.0 110.385 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.6 mt -47.58 -43.97 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 C-N-CA 124.807 1.243 . . . . 0.0 112.781 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.45 -20.11 54.84 Favored Glycine 0 CA--C 1.554 2.528 0 N-CA-C 117.216 1.646 . . . . 0.0 117.216 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.257 63.5 pttt -141.98 41.59 1.67 Allowed 'General case' 0 CA--C 1.572 1.804 0 C-N-CA 125.824 1.65 . . . . 0.0 112.866 176.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -132.62 -65.33 0.72 Allowed 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 177.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.326 28.7 m -103.57 50.0 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.909 0 CA-C-O 126.93 3.252 . . . . 0.0 110.493 175.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -147.79 -48.79 0.17 Allowed 'General case' 0 CA--C 1.563 1.453 1 CA-C-N 106.988 -4.642 . . . . 0.0 101.187 177.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.51 -45.63 65.24 Favored 'General case' 0 C--N 1.369 1.43 0 CA-C-N 120.747 1.612 . . . . 0.0 108.449 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -70.41 -19.04 63.02 Favored 'General case' 0 CA--C 1.591 2.519 0 CA-C-N 119.506 1.048 . . . . 0.0 110.877 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.258 25.4 t -80.26 -54.42 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 125.962 1.705 . . . . 0.0 110.543 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.7 tttp . . . . . 0 CA--C 1.579 2.087 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 177.161 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 CA--C 1.568 1.653 0 N-CA-C 113.053 0.76 . . . . 0.0 113.053 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -55.41 -46.7 76.63 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.24 11.91 2.14 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 118.626 2.824 . . . . 0.0 118.626 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -141.69 19.97 2.17 Favored 'General case' 0 CA--C 1.586 2.328 0 C-N-CA 128.654 2.782 . . . . 0.0 112.258 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -130.19 -48.23 1.1 Allowed 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 128.561 2.744 . . . . 0.0 105.384 177.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.2 mtp -73.75 -51.85 15.14 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -61.27 -34.72 75.65 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 120.198 1.363 . . . . 0.0 111.914 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -64.46 -48.9 73.53 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -64.07 -58.08 7.72 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.867 0.867 . . . . 0.0 110.141 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -46.66 -43.79 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 C-N-CA 124.869 1.268 . . . . 0.0 112.974 176.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.16 -22.65 56.09 Favored Glycine 0 CA--C 1.554 2.47 0 N-CA-C 116.869 1.508 . . . . 0.0 116.869 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.269 24.5 pttm -141.79 43.51 1.71 Allowed 'General case' 0 CA--C 1.572 1.792 0 C-N-CA 125.52 1.528 . . . . 0.0 112.687 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -134.14 -65.1 0.67 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 102.574 -3.121 . . . . 0.0 102.574 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.32 28.3 m -103.89 50.45 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.907 0 CA-C-O 126.96 3.267 . . . . 0.0 110.383 175.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -148.4 -48.66 0.16 Allowed 'General case' 0 CA--C 1.562 1.407 1 CA-C-N 106.932 -4.667 . . . . 0.0 101.557 177.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -71.07 -45.54 63.58 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 120.413 1.46 . . . . 0.0 108.244 176.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -70.61 -19.2 62.86 Favored 'General case' 0 CA--C 1.59 2.486 0 CA-C-N 119.493 1.042 . . . . 0.0 110.748 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.264 24.5 t -79.03 -53.87 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 C-N-CA 125.961 1.704 . . . . 0.0 110.083 177.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? . . . . . 0 CA--C 1.578 2.051 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 177.05 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 . . . . . 0 CA--C 1.568 1.648 0 N-CA-C 113.005 0.743 . . . . 0.0 113.005 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -55.34 -46.62 76.38 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.56 12.11 2.18 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 118.49 2.774 . . . . 0.0 118.49 177.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -141.6 19.74 2.19 Favored 'General case' 0 CA--C 1.586 2.329 0 C-N-CA 128.688 2.795 . . . . 0.0 112.293 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -129.78 -50.53 1.14 Allowed 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 128.591 2.756 . . . . 0.0 104.654 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 mtt -71.46 -51.77 22.02 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 105.215 -2.142 . . . . 0.0 105.215 176.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -61.32 -33.69 74.01 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-N 120.035 1.289 . . . . 0.0 112.045 176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -64.59 -49.98 69.01 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -65.24 -57.09 9.36 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 118.17 -0.919 . . . . 0.0 109.947 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.7 mt -46.23 -43.78 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 C-N-CA 124.661 1.184 . . . . 0.0 113.262 177.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.63 -24.36 56.73 Favored Glycine 0 CA--C 1.553 2.46 0 N-CA-C 116.732 1.453 . . . . 0.0 116.732 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -142.16 47.75 1.6 Allowed 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 125.359 1.464 . . . . 0.0 111.497 176.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -137.62 -65.69 0.52 Allowed 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 102.234 -3.247 . . . . 0.0 102.234 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.321 28.8 m -103.73 50.22 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.921 0 CA-C-O 126.993 3.283 . . . . 0.0 110.431 175.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -148.17 -48.96 0.16 Allowed 'General case' 0 CA--C 1.561 1.382 1 CA-C-N 106.957 -4.656 . . . . 0.0 101.425 177.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -70.79 -45.14 65.21 Favored 'General case' 0 CA--C 1.562 1.44 0 CA-C-N 120.637 1.562 . . . . 0.0 108.364 176.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -70.33 -20.04 63.02 Favored 'General case' 0 CA--C 1.59 2.51 0 CA-C-N 119.491 1.042 . . . . 0.0 110.675 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.261 24.2 t -78.61 -54.73 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 125.961 1.704 . . . . 0.0 110.088 177.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt . . . . . 0 CA--C 1.577 1.984 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 177.118 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 CA--C 1.568 1.638 0 N-CA-C 113.119 0.785 . . . . 0.0 113.119 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -54.73 -46.01 74.19 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.96 13.49 1.73 Allowed 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 118.679 2.844 . . . . 0.0 118.679 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -144.43 21.11 1.7 Allowed 'General case' 0 CA--C 1.585 2.289 0 C-N-CA 128.508 2.723 . . . . 0.0 112.272 176.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -130.65 -48.72 1.05 Allowed 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 128.66 2.784 . . . . 0.0 105.058 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.6 mtt -73.88 -52.04 14.26 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -61.22 -34.26 74.82 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 120.057 1.299 . . . . 0.0 111.87 176.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.84 -49.82 69.1 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -62.5 -57.54 10.81 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.042 0.937 . . . . 0.0 110.396 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -47.53 -44.01 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 C-N-CA 124.827 1.251 . . . . 0.0 112.747 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.25 -20.83 55.59 Favored Glycine 0 CA--C 1.554 2.504 0 N-CA-C 117.101 1.6 . . . . 0.0 117.101 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.256 63.7 pttt -141.37 41.48 1.76 Allowed 'General case' 0 CA--C 1.572 1.806 0 C-N-CA 125.782 1.633 . . . . 0.0 112.967 176.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -132.38 -65.71 0.72 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 102.165 -3.272 . . . . 0.0 102.165 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 30.2 m -102.9 50.63 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.898 0 CA-C-O 126.96 3.267 . . . . 0.0 110.549 175.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -148.31 -49.12 0.16 Allowed 'General case' 0 CA--C 1.562 1.431 1 CA-C-N 106.908 -4.678 . . . . 0.0 101.289 177.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -70.7 -45.17 65.46 Favored 'General case' 0 CA--C 1.563 1.449 0 CA-C-N 120.709 1.595 . . . . 0.0 108.525 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -71.13 -17.77 62.54 Favored 'General case' 0 CA--C 1.588 2.407 0 CA-C-N 119.332 0.969 . . . . 0.0 110.985 176.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.256 25.1 t -81.83 -54.49 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 126.212 1.805 . . . . 0.0 110.325 177.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.7 tttt . . . . . 0 CA--C 1.579 2.061 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 177.139 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 CA--C 1.568 1.643 0 N-CA-C 113.09 0.774 . . . . 0.0 113.09 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -55.31 -46.84 76.28 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.98 11.82 2.07 Favored 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 118.682 2.845 . . . . 0.0 118.682 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -141.7 19.94 2.17 Favored 'General case' 0 CA--C 1.585 2.31 0 C-N-CA 128.661 2.784 . . . . 0.0 112.295 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -130.27 -48.15 1.09 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 128.561 2.744 . . . . 0.0 105.417 177.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.5 mtm -73.79 -51.81 15.19 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 104.724 -2.324 . . . . 0.0 104.724 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -61.46 -34.68 75.85 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 120.109 1.322 . . . . 0.0 111.914 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.54 -48.81 73.7 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.86 -58.56 6.42 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.957 0.903 . . . . 0.0 110.015 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -46.25 -43.73 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 C-N-CA 124.893 1.277 . . . . 0.0 113.091 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.68 -26.18 59.7 Favored Glycine 0 CA--C 1.552 2.344 0 N-CA-C 116.531 1.373 . . . . 0.0 116.531 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -138.36 45.06 2.09 Favored 'General case' 0 CA--C 1.574 1.897 0 C-N-CA 125.357 1.463 . . . . 0.0 111.59 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -134.04 -65.68 0.65 Allowed 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 102.439 -3.171 . . . . 0.0 102.439 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 29.2 m -103.43 50.99 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.883 0 CA-C-O 127.003 3.287 . . . . 0.0 110.382 175.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -148.45 -49.21 0.16 Allowed 'General case' 0 CA--C 1.561 1.377 1 CA-C-N 106.874 -4.693 . . . . 0.0 101.496 177.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.7 -45.37 65.09 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-N 120.345 1.43 . . . . 0.0 108.277 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -71.14 -17.71 62.54 Favored 'General case' 0 CA--C 1.588 2.431 0 CA-C-N 119.353 0.979 . . . . 0.0 110.912 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.26 24.0 t -80.95 -54.08 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 126.032 1.733 . . . . 0.0 109.978 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 tptm . . . . . 0 CA--C 1.579 2.085 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 177.106 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 CA--C 1.567 1.614 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -56.47 -52.79 63.39 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.368 1.067 . . . . 0.0 113.111 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.16 17.56 0.45 Allowed 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 117.856 2.539 . . . . 0.0 117.856 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -138.21 13.92 2.82 Favored 'General case' 0 CA--C 1.589 2.463 0 C-N-CA 129.392 3.077 . . . . 0.0 112.311 176.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -126.69 -48.12 1.53 Allowed 'General case' 0 CA--C 1.563 1.479 0 C-N-CA 129.607 3.163 . . . . 0.0 104.351 176.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -70.36 -52.47 22.29 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 176.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -62.03 -34.12 75.64 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-N 119.74 1.155 . . . . 0.0 112.462 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.17 -50.4 66.09 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.3 32.4 ptt180 -66.33 -53.4 36.79 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 117.683 -1.151 . . . . 0.0 110.48 177.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -47.93 -43.98 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 CA-C-N 120.141 1.337 . . . . 0.0 112.945 177.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.47 -21.9 55.25 Favored Glycine 0 CA--C 1.554 2.499 0 N-CA-C 117.238 1.655 . . . . 0.0 117.238 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -142.87 44.87 1.59 Allowed 'General case' 0 CA--C 1.576 1.949 0 C-N-CA 125.613 1.565 . . . . 0.0 112.153 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -135.47 -65.84 0.59 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 102.233 -3.247 . . . . 0.0 102.233 177.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.327 28.8 m -102.55 47.24 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.878 0 CA-C-O 126.73 3.157 . . . . 0.0 111.169 175.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -143.75 -49.54 0.3 Allowed 'General case' 0 CA--C 1.556 1.198 1 CA-C-N 107.175 -4.557 . . . . 0.0 101.751 177.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.17 -38.66 63.61 Favored 'General case' 0 C--N 1.362 1.141 0 CA-C-N 120.262 1.392 . . . . 0.0 109.891 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -68.23 -25.22 65.09 Favored 'General case' 0 CA--C 1.578 2.032 0 CA-C-N 120.617 1.553 . . . . 0.0 110.904 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.25 2.6 m -80.57 -52.9 13.67 Favored 'Isoleucine or valine' 0 C--N 1.365 1.242 0 CA-C-N 119.697 1.135 . . . . 0.0 111.626 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.5 tttt . . . . . 0 CA--C 1.58 2.102 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 177.159 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 CA--C 1.565 1.528 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -57.22 -53.84 53.58 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 124.148 0.979 . . . . 0.0 113.059 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.37 20.55 0.4 Allowed 'General case' 0 CA--C 1.574 1.879 0 N-CA-C 117.38 2.363 . . . . 0.0 117.38 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -141.53 15.41 2.18 Favored 'General case' 0 CA--C 1.589 2.467 0 C-N-CA 129.484 3.114 . . . . 0.0 112.295 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -128.48 -46.68 1.31 Allowed 'General case' 0 CA--C 1.566 1.566 0 C-N-CA 129.721 3.209 . . . . 0.0 104.746 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -72.63 -52.32 15.88 Favored 'General case' 0 C--N 1.363 1.163 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 176.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.72 -35.58 78.46 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 119.939 1.245 . . . . 0.0 112.047 176.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.3 -49.43 71.8 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -63.01 -57.41 10.78 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.893 0.877 . . . . 0.0 110.468 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.8 mt -47.39 -44.04 8.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 C-N-CA 124.902 1.281 . . . . 0.0 112.798 176.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.65 -20.1 55.8 Favored Glycine 0 CA--C 1.554 2.52 0 N-CA-C 117.329 1.692 . . . . 0.0 117.329 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.257 63.9 pttt -141.16 39.55 1.77 Allowed 'General case' 0 CA--C 1.572 1.793 0 C-N-CA 125.777 1.631 . . . . 0.0 112.978 176.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -130.0 -66.55 0.78 Allowed 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 102.253 -3.24 . . . . 0.0 102.253 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.33 29.1 m -101.63 47.98 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.838 0 CA-C-O 126.705 3.145 . . . . 0.0 111.341 175.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -144.17 -49.62 0.29 Allowed 'General case' 0 CA--C 1.556 1.185 1 CA-C-N 107.14 -4.573 . . . . 0.0 102.099 177.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.05 -38.11 61.49 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 120.191 1.36 . . . . 0.0 109.962 176.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -69.46 -22.86 63.61 Favored 'General case' 0 CA--C 1.576 1.946 0 CA-C-N 120.618 1.554 . . . . 0.0 110.981 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.78 -53.2 12.13 Favored 'Isoleucine or valine' 0 C--N 1.366 1.294 0 CA-C-N 119.883 1.22 . . . . 0.0 111.338 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.4 tttt . . . . . 0 CA--C 1.58 2.102 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 177.171 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 CA--C 1.57 1.735 0 N-CA-C 113.215 0.82 . . . . 0.0 113.215 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -51.23 -45.46 61.95 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.4 14.66 1.17 Allowed 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 118.513 2.783 . . . . 0.0 118.513 177.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -145.99 22.28 1.4 Allowed 'General case' 0 CA--C 1.587 2.393 0 C-N-CA 128.993 2.917 . . . . 0.0 112.11 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -130.82 -50.13 1.04 Allowed 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 128.947 2.899 . . . . 0.0 104.861 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.8 mtm -73.39 -52.42 13.86 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 176.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.37 -33.96 74.53 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 119.947 1.248 . . . . 0.0 111.916 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.05 -48.88 72.24 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.63 -58.27 7.46 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.998 0.919 . . . . 0.0 110.007 177.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -46.68 -43.64 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 C-N-CA 124.806 1.243 . . . . 0.0 112.982 176.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.04 -23.92 57.76 Favored Glycine 0 CA--C 1.551 2.343 0 N-CA-C 116.707 1.443 . . . . 0.0 116.707 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -141.68 47.19 1.66 Allowed 'General case' 0 CA--C 1.574 1.902 0 C-N-CA 125.219 1.408 . . . . 0.0 111.544 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -136.49 -65.86 0.55 Allowed 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 102.28 -3.23 . . . . 0.0 102.28 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.326 28.4 m -102.52 47.13 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.91 0 CA-C-O 126.733 3.159 . . . . 0.0 111.2 175.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -143.98 -49.51 0.29 Allowed 'General case' 0 CA--C 1.556 1.19 1 CA-C-N 107.136 -4.574 . . . . 0.0 101.852 177.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.32 -37.79 63.5 Favored 'General case' 0 C--N 1.362 1.118 0 CA-C-N 120.342 1.428 . . . . 0.0 110.001 176.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -68.41 -26.86 65.75 Favored 'General case' 0 CA--C 1.577 1.989 0 CA-C-N 120.597 1.544 . . . . 0.0 110.536 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 2.5 m -79.17 -52.97 14.3 Favored 'Isoleucine or valine' 0 C--N 1.364 1.226 0 CA-C-N 119.634 1.106 . . . . 0.0 111.869 177.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.5 tttt . . . . . 0 CA--C 1.579 2.09 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 177.185 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 CA--C 1.57 1.746 0 N-CA-C 113.331 0.863 . . . . 0.0 113.331 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -52.14 -45.71 65.12 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 178.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.03 12.12 1.95 Allowed 'General case' 0 CA--C 1.568 1.64 0 N-CA-C 118.448 2.759 . . . . 0.0 118.448 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -142.58 21.71 2.01 Favored 'General case' 0 CA--C 1.589 2.458 0 C-N-CA 129.092 2.957 . . . . 0.0 111.919 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -130.37 -49.99 1.09 Allowed 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 128.865 2.866 . . . . 0.0 105.09 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 mtt -73.04 -52.01 15.96 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 105.099 -2.186 . . . . 0.0 105.099 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -61.55 -33.92 74.67 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 119.898 1.226 . . . . 0.0 111.868 176.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.19 -48.69 72.55 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -64.19 -58.16 7.4 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.76 0.824 . . . . 0.0 109.802 177.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -46.52 -43.53 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 C-N-CA 124.802 1.241 . . . . 0.0 113.051 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.74 -24.26 57.0 Favored Glycine 0 CA--C 1.554 2.475 0 N-CA-C 116.639 1.415 . . . . 0.0 116.639 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -142.15 48.36 1.58 Allowed 'General case' 0 CA--C 1.574 1.903 0 C-N-CA 125.224 1.41 . . . . 0.0 111.4 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -138.2 -65.54 0.51 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 102.329 -3.212 . . . . 0.0 102.329 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.321 27.6 m -103.75 49.95 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.96 0 CA-C-O 127.007 3.289 . . . . 0.0 110.5 175.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -148.36 -48.47 0.16 Allowed 'General case' 0 CA--C 1.563 1.479 1 CA-C-N 106.884 -4.689 . . . . 0.0 101.3 177.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.57 -45.7 64.9 Favored 'General case' 0 C--N 1.368 1.391 0 CA-C-N 120.732 1.605 . . . . 0.0 108.513 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -70.75 -19.01 62.77 Favored 'General case' 0 CA--C 1.59 2.485 0 CA-C-N 119.534 1.061 . . . . 0.0 110.836 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.26 27.6 t -79.89 -54.28 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 125.964 1.706 . . . . 0.0 110.494 177.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.8 tttm . . . . . 0 CA--C 1.58 2.1 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 177.197 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 . . . . . 0 CA--C 1.562 1.433 0 CA-C-O 122.757 1.265 . . . . 0.0 113.738 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -57.12 -53.9 52.87 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.607 1.163 . . . . 0.0 112.65 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.74 19.19 0.4 Allowed 'General case' 0 CA--C 1.573 1.834 0 N-CA-C 117.482 2.401 . . . . 0.0 117.482 176.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 1.6 ttmp? -138.69 12.56 2.71 Favored 'General case' 0 CA--C 1.586 2.354 0 C-N-CA 129.201 3.001 . . . . 0.0 112.609 176.552 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -126.69 -47.15 1.55 Allowed 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 129.273 3.029 . . . . 0.0 104.184 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -70.18 -51.7 29.09 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 176.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -61.99 -35.55 78.84 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.754 1.221 . . . . 0.0 112.232 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.92 -47.95 75.9 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 123.352 0.661 . . . . 0.0 109.303 176.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -64.82 -57.86 7.75 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.683 0.793 . . . . 0.0 109.672 177.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.8 mt -46.66 -43.42 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 C-N-CA 124.8 1.24 . . . . 0.0 113.016 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.43 -24.42 56.06 Favored Glycine 0 CA--C 1.554 2.495 0 N-CA-C 116.615 1.406 . . . . 0.0 116.615 176.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -142.22 48.16 1.58 Allowed 'General case' 0 CA--C 1.575 1.934 0 C-N-CA 125.301 1.44 . . . . 0.0 111.471 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -138.63 -65.34 0.5 Allowed 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 102.064 -3.31 . . . . 0.0 102.064 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.297 33.0 m -103.63 51.26 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.862 0 CA-C-O 127.176 3.369 . . . . 0.0 110.365 175.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -150.73 -48.43 0.12 Allowed 'General case' 0 CA--C 1.562 1.409 1 CA-C-N 106.874 -4.694 . . . . 0.0 101.849 177.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -71.83 -45.38 61.64 Favored 'General case' 0 C--N 1.366 1.312 0 CA-C-N 120.459 1.481 . . . . 0.0 108.906 176.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -75.18 -11.13 60.01 Favored 'General case' 0 CA--C 1.588 2.42 0 CA-C-N 119.83 1.196 . . . . 0.0 111.281 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.6 t -85.98 -54.19 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 126.402 1.881 . . . . 0.0 109.731 177.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.7 tttt . . . . . 0 CA--C 1.579 2.062 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 177.2 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 CA--C 1.569 1.68 0 N-CA-C 112.964 0.727 . . . . 0.0 112.964 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -54.1 -46.04 72.0 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.4 12.03 2.15 Favored 'General case' 0 CA--C 1.567 1.632 0 N-CA-C 118.557 2.799 . . . . 0.0 118.557 176.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -141.84 20.14 2.15 Favored 'General case' 0 CA--C 1.586 2.364 0 C-N-CA 128.735 2.814 . . . . 0.0 112.18 176.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -130.18 -49.98 1.1 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 128.585 2.754 . . . . 0.0 104.966 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.3 mtp -72.08 -51.6 20.79 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 105.05 -2.204 . . . . 0.0 105.05 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -61.38 -33.42 73.62 Favored 'General case' 0 CA--C 1.561 1.393 0 CA-C-N 120.033 1.288 . . . . 0.0 111.947 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.73 -50.2 67.83 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -64.52 -57.81 8.15 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 118.409 -0.805 . . . . 0.0 109.997 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.0 mt -45.51 -43.85 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 C-N-CA 124.672 1.189 . . . . 0.0 113.534 177.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.42 -26.74 59.82 Favored Glycine 0 CA--C 1.552 2.402 0 N-CA-C 116.525 1.37 . . . . 0.0 116.525 176.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -138.56 45.69 2.04 Favored 'General case' 0 CA--C 1.575 1.917 0 C-N-CA 125.344 1.457 . . . . 0.0 111.601 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -134.74 -65.01 0.65 Allowed 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 102.487 -3.153 . . . . 0.0 102.487 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.323 27.7 m -103.61 50.22 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.933 0 CA-C-O 126.991 3.281 . . . . 0.0 110.427 175.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -148.61 -48.88 0.15 Allowed 'General case' 0 CA--C 1.562 1.434 1 CA-C-N 106.918 -4.674 . . . . 0.0 101.32 177.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -70.34 -45.81 65.43 Favored 'General case' 0 C--N 1.368 1.395 0 CA-C-N 120.658 1.572 . . . . 0.0 108.622 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -71.41 -18.32 62.35 Favored 'General case' 0 CA--C 1.59 2.486 0 CA-C-N 119.701 1.137 . . . . 0.0 110.924 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.257 25.0 t -79.49 -54.27 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 125.928 1.691 . . . . 0.0 109.999 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt . . . . . 0 CA--C 1.581 2.135 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 177.044 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . 0.264 4.0 mp0 . . . . . 0 CA--C 1.566 1.587 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -53.3 -41.17 65.34 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 177.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.09 11.43 2.78 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 119.669 3.211 . . . . 0.0 119.669 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -146.55 24.03 1.25 Allowed 'General case' 0 CA--C 1.586 2.331 0 C-N-CA 128.447 2.699 . . . . 0.0 111.552 176.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -131.81 -49.55 0.96 Allowed 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 128.758 2.823 . . . . 0.0 104.768 176.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.2 mtt -73.84 -52.71 12.14 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 176.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.21 -34.09 74.54 Favored 'General case' 0 CA--C 1.561 1.373 0 CA-C-N 119.963 1.256 . . . . 0.0 111.841 176.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.11 -48.88 72.07 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.67 -58.31 7.31 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.932 0.893 . . . . 0.0 109.976 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.62 -43.53 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 C-N-CA 124.814 1.246 . . . . 0.0 112.96 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.72 -24.39 57.13 Favored Glycine 0 CA--C 1.553 2.445 0 N-CA-C 116.608 1.403 . . . . 0.0 116.608 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -141.97 48.25 1.6 Allowed 'General case' 0 CA--C 1.573 1.849 0 C-N-CA 125.278 1.431 . . . . 0.0 111.433 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -138.13 -65.89 0.5 Allowed 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 102.172 -3.27 . . . . 0.0 102.172 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.318 29.0 m -103.69 51.06 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.915 0 CA-C-O 127.03 3.3 . . . . 0.0 110.273 175.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -149.09 -48.66 0.14 Allowed 'General case' 0 CA--C 1.562 1.432 1 CA-C-N 106.844 -4.707 . . . . 0.0 101.654 177.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -71.07 -45.8 63.11 Favored 'General case' 0 CA--C 1.562 1.404 0 CA-C-N 120.352 1.433 . . . . 0.0 108.415 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -71.71 -16.72 62.24 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-N 119.516 1.053 . . . . 0.0 110.955 176.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.261 24.5 t -80.81 -53.76 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 C-N-CA 126.019 1.727 . . . . 0.0 109.693 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? . . . . . 0 CA--C 1.578 2.048 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 176.989 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 CA--C 1.564 1.499 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -57.16 -53.94 52.44 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.148 0.979 . . . . 0.0 113.02 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.21 20.44 0.39 Allowed 'General case' 0 CA--C 1.574 1.875 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -141.35 15.81 2.21 Favored 'General case' 0 CA--C 1.589 2.479 0 C-N-CA 129.387 3.075 . . . . 0.0 112.345 176.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -128.66 -48.98 1.26 Allowed 'General case' 0 CA--C 1.563 1.46 0 C-N-CA 129.729 3.211 . . . . 0.0 104.076 176.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -70.27 -52.36 23.52 Favored 'General case' 0 C--N 1.363 1.181 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 176.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -61.68 -34.7 76.19 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-N 119.809 1.186 . . . . 0.0 112.243 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.19 -49.44 72.02 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.44 0.696 . . . . 0.0 109.192 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -65.78 -56.98 9.13 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.053 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -46.12 -43.94 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 124.743 1.217 . . . . 0.0 113.29 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.01 -24.11 57.93 Favored Glycine 0 CA--C 1.553 2.429 0 N-CA-C 116.847 1.499 . . . . 0.0 116.847 176.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -141.44 46.3 1.71 Allowed 'General case' 0 CA--C 1.575 1.907 0 C-N-CA 125.39 1.476 . . . . 0.0 111.609 176.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -135.82 -67.16 0.53 Allowed 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 177.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 29.8 m -101.65 48.54 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.782 0 CA-C-O 126.808 3.194 . . . . 0.0 111.207 175.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -144.66 -49.21 0.26 Allowed 'General case' 0 CA--C 1.554 1.108 1 CA-C-N 107.072 -4.604 . . . . 0.0 102.585 177.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -75.84 -37.7 58.76 Favored 'General case' 0 CA--C 1.556 1.182 0 CA-C-N 119.848 1.203 . . . . 0.0 109.842 176.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -69.93 -23.25 63.18 Favored 'General case' 0 CA--C 1.576 1.972 0 CA-C-N 120.412 1.46 . . . . 0.0 110.798 176.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 m -81.65 -52.98 13.07 Favored 'Isoleucine or valine' 0 C--N 1.366 1.325 0 CA-C-N 119.892 1.224 . . . . 0.0 111.078 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 tptt . . . . . 0 CA--C 1.58 2.122 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 177.125 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 . . . . . 0 CA--C 1.561 1.367 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -51.05 -43.71 60.99 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.555 1.542 . . . . 0.0 114.838 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.48 13.55 1.95 Allowed 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 118.932 2.938 . . . . 0.0 118.932 177.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -145.27 19.79 1.56 Allowed 'General case' 0 CA--C 1.585 2.312 0 C-N-CA 128.717 2.807 . . . . 0.0 112.166 176.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.7 m170 -128.92 -49.05 1.23 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 128.596 2.759 . . . . 0.0 104.851 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.4 mtt -73.65 -52.29 13.86 Favored 'General case' 0 C--N 1.361 1.084 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 176.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.0 -33.73 73.71 Favored 'General case' 0 CA--C 1.561 1.375 0 CA-C-N 119.981 1.264 . . . . 0.0 112.022 176.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -65.3 -48.97 71.27 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -64.39 -57.62 8.79 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.501 0.72 . . . . 0.0 110.003 177.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.0 mt -46.66 -43.55 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 C-N-CA 124.76 1.224 . . . . 0.0 113.151 176.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.45 -25.19 57.57 Favored Glycine 0 CA--C 1.553 2.425 0 N-CA-C 116.506 1.362 . . . . 0.0 116.506 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -141.47 48.19 1.65 Allowed 'General case' 0 CA--C 1.574 1.871 0 C-N-CA 125.18 1.392 . . . . 0.0 111.528 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -137.57 -65.88 0.52 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 101.866 -3.383 . . . . 0.0 101.866 177.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.322 30.1 m -102.77 50.69 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.953 0 CA-C-O 127.034 3.302 . . . . 0.0 110.527 175.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -148.82 -48.82 0.15 Allowed 'General case' 0 CA--C 1.564 1.495 1 CA-C-N 106.791 -4.731 . . . . 0.0 101.283 177.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -70.6 -45.25 65.68 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-N 120.709 1.595 . . . . 0.0 108.663 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -71.34 -17.72 62.42 Favored 'General case' 0 CA--C 1.588 2.423 0 CA-C-N 119.206 0.912 . . . . 0.0 110.923 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.255 25.5 t -81.83 -54.4 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 126.127 1.771 . . . . 0.0 110.27 177.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.9 tttt . . . . . 0 CA--C 1.58 2.1 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 177.156 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 . . . . . 0 CA--C 1.568 1.645 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -50.61 -44.94 57.24 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 125.298 1.439 . . . . 0.0 114.877 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.01 14.46 1.4 Allowed 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 118.466 2.765 . . . . 0.0 118.466 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -146.19 23.01 1.35 Allowed 'General case' 0 CA--C 1.587 2.401 0 C-N-CA 129.078 2.951 . . . . 0.0 111.931 176.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -131.25 -49.96 1.01 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 128.98 2.912 . . . . 0.0 105.012 176.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.3 mtp -73.85 -52.51 12.78 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 176.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.29 -33.93 74.37 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-N 119.972 1.26 . . . . 0.0 111.973 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.86 -49.03 72.13 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -63.72 -58.5 6.68 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.78 0.832 . . . . 0.0 110.095 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.9 mt -46.2 -43.61 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.128 0 C-N-CA 124.775 1.23 . . . . 0.0 113.156 177.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.61 -26.41 59.85 Favored Glycine 0 CA--C 1.552 2.369 0 N-CA-C 116.471 1.349 . . . . 0.0 116.471 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -138.46 45.61 2.05 Favored 'General case' 0 CA--C 1.574 1.872 0 C-N-CA 125.335 1.454 . . . . 0.0 111.664 176.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -134.89 -65.45 0.62 Allowed 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 102.406 -3.183 . . . . 0.0 102.406 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 28.2 m -103.2 50.57 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.924 0 CA-C-O 127.021 3.296 . . . . 0.0 110.483 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -148.78 -48.75 0.15 Allowed 'General case' 0 CA--C 1.563 1.445 1 CA-C-N 106.802 -4.727 . . . . 0.0 101.284 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.29 -46.19 64.82 Favored 'General case' 0 C--N 1.368 1.413 0 CA-C-N 120.737 1.608 . . . . 0.0 108.521 176.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -71.72 -16.15 62.22 Favored 'General case' 0 CA--C 1.587 2.372 0 CA-C-N 119.691 1.132 . . . . 0.0 111.279 176.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.255 27.0 t -82.23 -54.03 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 126.058 1.743 . . . . 0.0 110.224 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.6 tttt . . . . . 0 CA--C 1.579 2.086 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 177.184 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 CA--C 1.57 1.739 0 N-CA-C 113.222 0.823 . . . . 0.0 113.222 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t -51.51 -45.47 62.91 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.84 12.3 1.79 Allowed 'General case' 0 CA--C 1.569 1.694 0 N-CA-C 118.576 2.806 . . . . 0.0 118.576 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -142.6 20.71 2.02 Favored 'General case' 0 CA--C 1.588 2.422 0 C-N-CA 129.107 2.963 . . . . 0.0 112.067 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -129.35 -50.9 1.18 Allowed 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 128.784 2.834 . . . . 0.0 104.821 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.3 mtp -71.93 -52.07 19.0 Favored 'General case' 0 C--N 1.36 1.046 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -61.29 -33.93 74.37 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-N 119.887 1.221 . . . . 0.0 111.992 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.25 -49.46 69.53 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -63.19 -57.53 10.19 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.894 0.878 . . . . 0.0 110.216 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -47.28 -43.72 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 C-N-CA 124.763 1.225 . . . . 0.0 112.83 176.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.79 -21.41 55.23 Favored Glycine 0 CA--C 1.553 2.456 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 176.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.267 14.6 ptmm? -141.21 40.71 1.78 Allowed 'General case' 0 CA--C 1.572 1.822 0 C-N-CA 125.561 1.544 . . . . 0.0 112.92 176.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -131.17 -65.63 0.77 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 102.602 -3.11 . . . . 0.0 102.602 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 28.8 m -102.64 47.6 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.847 0 CA-C-O 126.744 3.164 . . . . 0.0 111.22 175.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -144.0 -49.12 0.29 Allowed 'General case' 0 CA--C 1.554 1.105 1 CA-C-N 107.15 -4.568 . . . . 0.0 102.269 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -75.23 -37.67 60.95 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 120.045 1.293 . . . . 0.0 109.685 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -68.35 -27.09 65.95 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-N 120.5 1.5 . . . . 0.0 110.485 176.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.257 2.7 m -78.37 -52.85 15.0 Favored 'Isoleucine or valine' 0 C--N 1.365 1.276 0 CA-C-N 119.749 1.159 . . . . 0.0 111.655 177.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? . . . . . 0 CA--C 1.579 2.059 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 177.102 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 . . . . . 0 CA--C 1.565 1.533 0 N-CA-C 113.599 0.962 . . . . 0.0 113.599 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -51.45 -45.8 62.82 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.71 13.76 1.55 Allowed 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 118.854 2.909 . . . . 0.0 118.854 177.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -145.57 21.34 1.5 Allowed 'General case' 0 CA--C 1.586 2.336 0 C-N-CA 128.766 2.827 . . . . 0.0 112.155 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -130.42 -49.13 1.08 Allowed 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 128.766 2.826 . . . . 0.0 104.953 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.1 mtp -73.77 -52.22 13.88 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 104.931 -2.248 . . . . 0.0 104.931 176.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.17 -34.23 74.7 Favored 'General case' 0 CA--C 1.561 1.37 0 CA-C-N 119.995 1.27 . . . . 0.0 111.932 176.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.96 -48.88 72.47 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.62 -58.31 7.35 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.974 0.909 . . . . 0.0 110.012 177.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -46.71 -43.56 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 C-N-CA 124.787 1.235 . . . . 0.0 112.966 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.25 -23.5 57.72 Favored Glycine 0 CA--C 1.553 2.408 0 N-CA-C 116.717 1.447 . . . . 0.0 116.717 176.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -141.8 46.79 1.66 Allowed 'General case' 0 CA--C 1.574 1.874 0 C-N-CA 125.269 1.428 . . . . 0.0 111.466 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -136.39 -66.11 0.55 Allowed 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 102.284 -3.228 . . . . 0.0 102.284 177.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 29.1 m -102.7 47.81 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.862 0 CA-C-O 126.769 3.176 . . . . 0.0 111.108 175.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -144.24 -49.16 0.28 Allowed 'General case' 0 CA--C 1.554 1.123 1 CA-C-N 107.144 -4.571 . . . . 0.0 102.29 177.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.23 -37.91 60.85 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 119.975 1.261 . . . . 0.0 109.649 176.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -68.67 -25.55 64.86 Favored 'General case' 0 CA--C 1.579 2.067 0 CA-C-N 120.521 1.51 . . . . 0.0 110.693 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 2.8 m -79.73 -53.03 13.9 Favored 'Isoleucine or valine' 0 C--N 1.365 1.276 0 CA-C-N 119.714 1.143 . . . . 0.0 111.389 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.0 tptt . . . . . 0 CA--C 1.58 2.125 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 177.104 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 CA--C 1.571 1.766 0 CA-C-O 122.008 0.908 . . . . 0.0 113.05 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -51.85 -49.74 62.29 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.03 1.332 . . . . 0.0 113.253 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.09 21.23 0.34 Allowed 'General case' 0 CA--C 1.578 2.041 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 tmtp? -144.01 19.83 1.78 Allowed 'General case' 0 CA--C 1.595 2.7 0 C-N-CA 130.06 3.344 . . . . 0.0 111.621 176.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -130.36 -49.49 1.08 Allowed 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 130.02 3.328 . . . . 0.0 104.117 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 15.1 ptm -71.98 -52.6 16.3 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -62.33 -35.06 77.91 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 124.691 1.196 . . . . 0.0 112.096 176.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -64.86 -47.55 77.52 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -65.01 -58.48 5.99 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.731 0.812 . . . . 0.0 109.741 177.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.6 mt -46.04 -43.48 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 124.779 1.231 . . . . 0.0 113.222 177.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.38 -26.84 59.85 Favored Glycine 0 CA--C 1.551 2.293 0 N-CA-C 116.449 1.34 . . . . 0.0 116.449 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -138.55 46.11 2.02 Favored 'General case' 0 CA--C 1.573 1.852 0 C-N-CA 125.383 1.473 . . . . 0.0 111.529 176.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -135.1 -65.51 0.61 Allowed 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 102.464 -3.162 . . . . 0.0 102.464 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 27.3 m -103.08 50.0 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.932 0 CA-C-O 127.025 3.298 . . . . 0.0 110.579 175.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -147.73 -48.77 0.17 Allowed 'General case' 0 CA--C 1.562 1.44 1 CA-C-N 106.904 -4.68 . . . . 0.0 101.469 177.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -70.27 -45.5 66.27 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-N 120.436 1.471 . . . . 0.0 108.378 176.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -68.98 -23.84 64.16 Favored 'General case' 0 CA--C 1.587 2.389 0 CA-C-N 119.339 0.972 . . . . 0.0 110.24 176.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.272 25.1 t -74.97 -53.7 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 125.653 1.581 . . . . 0.0 110.628 177.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? . . . . . 0 CA--C 1.579 2.083 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 177.004 . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 . . . . . 0 CA--C 1.569 1.707 0 N-CA-C 113.234 0.827 . . . . 0.0 113.234 . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -51.39 -45.02 62.33 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 178.026 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.78 14.64 1.27 Allowed 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 118.45 2.759 . . . . 0.0 118.45 177.013 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -145.97 22.19 1.41 Allowed 'General case' 0 CA--C 1.586 2.362 0 C-N-CA 129.04 2.936 . . . . 0.0 112.123 176.682 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -130.66 -50.1 1.06 Allowed 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 128.932 2.893 . . . . 0.0 104.86 176.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.4 mtp -73.39 -52.49 13.59 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 104.964 -2.235 . . . . 0.0 104.964 176.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.2 -33.94 74.28 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-N 119.969 1.259 . . . . 0.0 111.963 176.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.19 -49.18 70.79 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 176.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.25 -57.86 9.05 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.966 0.906 . . . . 0.0 110.16 177.078 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.9 mt -47.01 -43.71 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 C-N-CA 124.773 1.229 . . . . 0.0 112.864 176.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.8 -21.68 55.76 Favored Glycine 0 CA--C 1.553 2.407 0 N-CA-C 117.096 1.598 . . . . 0.0 117.096 176.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.269 14.6 ptmm? -141.0 40.66 1.8 Allowed 'General case' 0 CA--C 1.571 1.76 0 C-N-CA 125.598 1.559 . . . . 0.0 112.893 176.625 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -130.92 -65.88 0.77 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 102.588 -3.116 . . . . 0.0 102.588 177.346 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.326 30.1 m -102.85 49.04 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.84 0 CA-C-O 126.824 3.202 . . . . 0.0 110.948 175.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -144.68 -49.16 0.26 Allowed 'General case' 0 CA--C 1.552 1.021 1 CA-C-N 107.051 -4.613 . . . . 0.0 102.718 177.233 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -76.18 -37.98 57.19 Favored 'General case' 0 CA--C 1.559 1.29 0 CA-C-O 117.622 -1.18 . . . . 0.0 109.244 176.36 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -68.35 -26.2 65.47 Favored 'General case' 0 CA--C 1.577 1.999 0 CA-C-N 120.394 1.452 . . . . 0.0 110.768 176.506 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 3.0 m -78.44 -52.87 14.93 Favored 'Isoleucine or valine' 0 C--N 1.366 1.286 0 CA-C-N 119.725 1.148 . . . . 0.0 111.416 177.682 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt . . . . . 0 CA--C 1.577 1.99 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 177.133 . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 CA--C 1.569 1.699 0 N-CA-C 112.891 0.7 . . . . 0.0 112.891 . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -54.4 -46.4 73.12 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.02 11.66 2.16 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 118.568 2.803 . . . . 0.0 118.568 177.012 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -141.05 18.95 2.28 Favored 'General case' 0 CA--C 1.585 2.309 0 C-N-CA 128.655 2.782 . . . . 0.0 112.304 176.648 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -129.3 -48.75 1.19 Allowed 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 128.456 2.703 . . . . 0.0 105.267 176.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.2 mtp -72.7 -51.7 18.24 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 104.943 -2.243 . . . . 0.0 104.943 176.448 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -61.42 -34.76 75.92 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 120.075 1.307 . . . . 0.0 111.899 176.46 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -64.72 -48.65 73.84 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -64.09 -58.15 7.49 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.039 0.936 . . . . 0.0 109.932 177.177 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.67 -44.01 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 C-N-CA 124.959 1.304 . . . . 0.0 112.97 177.03 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.25 -25.24 59.91 Favored Glycine 0 CA--C 1.551 2.32 0 N-CA-C 116.791 1.476 . . . . 0.0 116.791 176.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -137.58 43.03 2.31 Favored 'General case' 0 CA--C 1.576 1.948 0 C-N-CA 125.336 1.454 . . . . 0.0 111.677 176.682 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -131.59 -65.71 0.75 Allowed 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 102.609 -3.108 . . . . 0.0 102.609 177.273 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.332 28.5 m -102.32 47.4 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.881 0 CA-C-O 126.726 3.155 . . . . 0.0 111.218 175.778 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.7 t80 -143.8 -49.67 0.3 Allowed 'General case' 0 CA--C 1.555 1.159 1 CA-C-N 107.122 -4.581 . . . . 0.0 101.952 177.038 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -74.24 -38.18 63.57 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 120.18 1.355 . . . . 0.0 109.854 176.529 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -68.5 -25.35 64.91 Favored 'General case' 0 CA--C 1.578 2.045 0 CA-C-N 120.577 1.535 . . . . 0.0 110.806 176.471 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.252 2.6 m -80.5 -53.12 13.3 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 CA-C-N 119.663 1.12 . . . . 0.0 111.593 177.727 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.2 tttm . . . . . 0 CA--C 1.58 2.116 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 177.166 . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 . . . . . 0 CA--C 1.564 1.499 0 N-CA-C 113.488 0.922 . . . . 0.0 113.488 . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -54.21 -46.27 72.44 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 -179.812 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.52 13.15 1.69 Allowed 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 118.942 2.941 . . . . 0.0 118.942 177.166 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -146.07 24.43 1.31 Allowed 'General case' 0 CA--C 1.588 2.41 0 C-N-CA 128.539 2.736 . . . . 0.0 111.58 176.548 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -132.89 -49.35 0.88 Allowed 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 128.609 2.763 . . . . 0.0 104.818 176.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.9 mtm -73.98 -52.89 11.36 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 104.712 -2.329 . . . . 0.0 104.712 176.372 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.45 -34.37 75.31 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-N 120.0 1.273 . . . . 0.0 112.006 176.477 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.99 -48.32 74.4 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -64.34 -58.14 7.35 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.911 0.884 . . . . 0.0 109.902 177.071 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -46.63 -43.47 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 C-N-CA 124.812 1.245 . . . . 0.0 112.99 177.035 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.64 -24.89 57.71 Favored Glycine 0 CA--C 1.552 2.402 0 N-CA-C 116.529 1.371 . . . . 0.0 116.529 176.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -141.53 48.15 1.65 Allowed 'General case' 0 CA--C 1.574 1.888 0 C-N-CA 125.228 1.411 . . . . 0.0 111.453 176.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -137.85 -66.15 0.5 Allowed 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 101.926 -3.361 . . . . 0.0 101.926 177.269 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.323 29.7 m -102.94 50.77 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 CA-C-O 127.023 3.297 . . . . 0.0 110.554 175.855 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -148.82 -48.93 0.15 Allowed 'General case' 0 CA--C 1.563 1.45 1 CA-C-N 106.828 -4.715 . . . . 0.0 101.398 177.207 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -70.79 -44.99 65.49 Favored 'General case' 0 C--N 1.368 1.406 0 CA-C-N 120.615 1.552 . . . . 0.0 108.679 176.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -71.64 -17.67 62.24 Favored 'General case' 0 CA--C 1.588 2.416 0 CA-C-N 119.359 0.981 . . . . 0.0 110.845 176.246 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.258 25.5 t -81.5 -54.34 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 126.197 1.799 . . . . 0.0 110.201 177.616 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.9 tttt . . . . . 0 CA--C 1.579 2.096 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 177.137 . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 . . . . . 0 CA--C 1.564 1.504 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -55.14 -46.87 75.69 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.56 11.58 2.44 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 177.075 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -141.45 19.88 2.22 Favored 'General case' 0 CA--C 1.585 2.319 0 C-N-CA 128.597 2.759 . . . . 0.0 112.31 176.58 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -129.52 -50.1 1.17 Allowed 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 128.575 2.75 . . . . 0.0 104.642 176.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 mtt -71.83 -52.46 17.38 Favored 'General case' 0 C--N 1.361 1.071 0 N-CA-C 105.372 -2.084 . . . . 0.0 105.372 176.472 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -61.56 -33.04 73.17 Favored 'General case' 0 CA--C 1.56 1.354 0 CA-C-N 120.019 1.282 . . . . 0.0 112.194 176.489 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -65.63 -51.88 56.16 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.147 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.295 7.9 ptm85 -65.04 -52.09 57.83 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 117.652 -1.166 . . . . 0.0 110.947 177.299 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -49.05 -44.75 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 CA-C-N 120.134 1.334 . . . . 0.0 112.697 177.06 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.77 -16.94 53.16 Favored Glycine 0 CA--C 1.555 2.563 0 N-CA-C 117.971 1.948 . . . . 0.0 117.971 176.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.254 22.9 pttp -142.99 38.47 1.44 Allowed 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 126.212 1.805 . . . . 0.0 113.399 176.884 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -129.21 -66.48 0.81 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 102.356 -3.201 . . . . 0.0 102.356 177.312 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.33 27.7 m -102.46 47.72 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.823 0 CA-C-O 126.729 3.157 . . . . 0.0 111.135 175.849 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -143.53 -49.64 0.31 Allowed 'General case' 0 CA--C 1.556 1.203 1 CA-C-N 107.201 -4.545 . . . . 0.0 101.919 177.04 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -74.82 -38.63 62.0 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 120.232 1.378 . . . . 0.0 109.722 176.549 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -68.87 -22.78 64.17 Favored 'General case' 0 CA--C 1.575 1.94 0 CA-C-N 120.693 1.588 . . . . 0.0 111.194 176.484 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.98 -53.15 12.15 Favored 'Isoleucine or valine' 0 C--N 1.365 1.272 0 CA-C-N 119.875 1.216 . . . . 0.0 111.326 177.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.4 tttt . . . . . 0 CA--C 1.58 2.112 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 177.192 . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 . . . . . 0 CA--C 1.567 1.597 0 N-CA-C 113.132 0.79 . . . . 0.0 113.132 . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -57.02 -48.4 78.59 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.6 12.86 1.84 Allowed 'General case' 0 CA--C 1.567 1.609 0 N-CA-C 118.217 2.673 . . . . 0.0 118.217 177.03 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -140.56 17.97 2.36 Favored 'General case' 0 CA--C 1.584 2.269 0 C-N-CA 128.59 2.756 . . . . 0.0 112.538 176.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -128.86 -49.56 1.23 Allowed 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 128.383 2.673 . . . . 0.0 104.753 176.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.4 mtt -71.53 -51.45 23.47 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 176.434 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -61.65 -34.52 75.85 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-N 120.035 1.289 . . . . 0.0 111.989 176.539 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.01 -48.81 72.6 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.014 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -63.76 -57.98 8.28 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.015 0.926 . . . . 0.0 109.968 177.096 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.2 mt -46.93 -43.63 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 C-N-CA 124.82 1.248 . . . . 0.0 112.931 176.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.18 -23.22 57.21 Favored Glycine 0 CA--C 1.553 2.411 0 N-CA-C 116.803 1.481 . . . . 0.0 116.803 176.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -141.98 46.68 1.65 Allowed 'General case' 0 CA--C 1.575 1.904 0 C-N-CA 125.279 1.432 . . . . 0.0 111.582 176.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -136.48 -65.75 0.56 Allowed 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 102.383 -3.191 . . . . 0.0 102.383 177.327 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 27.8 m -102.83 47.18 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.891 0 CA-C-O 126.716 3.15 . . . . 0.0 111.169 175.762 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -144.0 -49.25 0.29 Allowed 'General case' 0 CA--C 1.556 1.199 1 CA-C-N 107.146 -4.57 . . . . 0.0 101.958 177.046 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -74.73 -38.07 62.38 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 120.187 1.358 . . . . 0.0 109.869 176.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -68.77 -24.99 64.49 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 120.672 1.578 . . . . 0.0 110.853 176.463 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.252 2.5 m -80.65 -53.1 13.28 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 CA-C-N 119.652 1.115 . . . . 0.0 111.6 177.703 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.2 tttm . . . . . 0 CA--C 1.579 2.093 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 177.166 . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 . . . . . 0 CA--C 1.564 1.499 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -54.87 -46.59 74.75 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.34 11.59 2.34 Favored 'General case' 0 CA--C 1.566 1.569 0 N-CA-C 118.603 2.816 . . . . 0.0 118.603 177.078 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -141.09 18.77 2.28 Favored 'General case' 0 CA--C 1.584 2.287 0 C-N-CA 128.639 2.775 . . . . 0.0 112.381 176.625 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -129.27 -49.75 1.19 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 128.457 2.703 . . . . 0.0 104.914 177.042 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 mtm -71.9 -51.04 24.15 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 105.291 -2.114 . . . . 0.0 105.291 176.454 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -61.76 -35.03 76.95 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-N 120.102 1.319 . . . . 0.0 111.771 176.442 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -64.37 -48.48 75.33 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.8 mtp-105 -63.32 -59.1 5.16 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.387 1.075 . . . . 0.0 109.956 177.101 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.0 mt -46.4 -43.73 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 C-N-CA 124.955 1.302 . . . . 0.0 112.981 176.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.14 -25.69 60.25 Favored Glycine 0 CA--C 1.551 2.34 0 N-CA-C 116.617 1.407 . . . . 0.0 116.617 176.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -138.16 44.17 2.16 Favored 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 125.311 1.445 . . . . 0.0 111.744 176.621 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -132.69 -65.82 0.7 Allowed 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 102.457 -3.164 . . . . 0.0 102.457 177.326 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.328 30.4 m -102.5 48.11 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.847 0 CA-C-O 126.751 3.167 . . . . 0.0 111.106 175.809 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -144.29 -49.71 0.28 Allowed 'General case' 0 CA--C 1.554 1.115 1 CA-C-N 107.052 -4.613 . . . . 0.0 102.16 177.129 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -74.7 -37.71 62.54 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 120.049 1.295 . . . . 0.0 109.691 176.437 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -68.65 -25.75 64.98 Favored 'General case' 0 CA--C 1.577 2.008 0 CA-C-N 120.432 1.469 . . . . 0.0 110.75 176.467 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 2.8 m -79.94 -53.01 13.83 Favored 'Isoleucine or valine' 0 C--N 1.366 1.293 0 C-N-CA 124.485 1.114 . . . . 0.0 111.319 177.717 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 tptm . . . . . 0 CA--C 1.58 2.113 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 177.088 . . . . . . . . 0 0 . 1 . 027 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . 0.258 4.0 mp0 . . . . . 0 CA--C 1.567 1.625 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 . . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -49.78 -40.62 42.09 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 177.862 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.89 8.41 4.67 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 119.789 3.255 . . . . 0.0 119.789 177.267 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -141.87 19.69 2.14 Favored 'General case' 0 CA--C 1.585 2.315 0 C-N-CA 128.44 2.696 . . . . 0.0 111.919 176.35 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.2 m170 -127.89 -48.66 1.36 Allowed 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 128.497 2.719 . . . . 0.0 105.142 176.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.1 mtt -73.86 -52.14 13.97 Favored 'General case' 0 C--N 1.361 1.077 0 N-CA-C 105.072 -2.196 . . . . 0.0 105.072 176.434 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -60.85 -34.21 74.24 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-N 119.942 1.246 . . . . 0.0 111.968 176.491 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.96 -49.17 71.35 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -63.34 -58.65 6.41 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.865 0.866 . . . . 0.0 110.071 177.116 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -46.09 -43.71 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 C-N-CA 124.885 1.274 . . . . 0.0 113.154 176.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.54 -26.59 59.91 Favored Glycine 0 CA--C 1.552 2.397 0 N-CA-C 116.413 1.325 . . . . 0.0 116.413 176.878 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -138.42 45.76 2.05 Favored 'General case' 0 CA--C 1.574 1.866 0 C-N-CA 125.301 1.44 . . . . 0.0 111.635 176.622 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -135.02 -65.45 0.62 Allowed 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 102.39 -3.189 . . . . 0.0 102.39 177.366 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.322 28.8 m -103.4 51.04 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 CA-C-O 127.035 3.302 . . . . 0.0 110.339 175.772 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -148.99 -48.85 0.15 Allowed 'General case' 0 CA--C 1.56 1.36 1 CA-C-N 106.812 -4.722 . . . . 0.0 101.691 177.319 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -70.89 -45.96 63.41 Favored 'General case' 0 CA--C 1.562 1.409 0 CA-C-N 120.278 1.399 . . . . 0.0 108.366 176.457 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.1 mmmt -71.83 -16.71 62.17 Favored 'General case' 0 CA--C 1.587 2.395 0 CA-C-N 119.612 1.096 . . . . 0.0 110.987 176.226 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.26 22.9 t -80.27 -54.03 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 125.964 1.706 . . . . 0.0 109.373 177.394 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.0 tptt . . . . . 0 CA--C 1.58 2.119 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 176.93 . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 . . . . . 0 CA--C 1.568 1.639 0 N-CA-C 113.014 0.746 . . . . 0.0 113.014 . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -54.32 -46.37 72.84 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 179.754 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.22 14.46 1.48 Allowed 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 118.328 2.714 . . . . 0.0 118.328 177.001 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -144.99 21.91 1.58 Allowed 'General case' 0 CA--C 1.586 2.338 0 C-N-CA 128.837 2.855 . . . . 0.0 112.093 176.697 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -131.36 -49.4 0.99 Allowed 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 128.775 2.83 . . . . 0.0 105.017 177.03 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 mtt -73.5 -52.2 14.44 Favored 'General case' 0 C--N 1.36 1.051 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 176.382 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -61.44 -34.37 75.31 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-N 120.061 1.3 . . . . 0.0 111.929 176.445 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.65 -48.97 72.83 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -63.77 -58.58 6.41 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.947 0.899 . . . . 0.0 110.012 177.154 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.18 -43.71 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 C-N-CA 124.869 1.268 . . . . 0.0 113.129 176.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.68 -26.18 59.69 Favored Glycine 0 CA--C 1.551 2.311 0 N-CA-C 116.523 1.369 . . . . 0.0 116.523 176.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -138.54 45.44 2.05 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 125.347 1.459 . . . . 0.0 111.625 176.555 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -134.61 -65.24 0.64 Allowed 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 102.495 -3.15 . . . . 0.0 102.495 177.286 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 29.2 m -103.58 50.5 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.915 0 CA-C-O 126.98 3.276 . . . . 0.0 110.38 175.815 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -148.26 -49.0 0.16 Allowed 'General case' 0 CA--C 1.561 1.397 1 CA-C-N 106.911 -4.677 . . . . 0.0 101.516 177.256 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -70.57 -45.48 65.31 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-N 120.43 1.468 . . . . 0.0 108.388 176.404 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -70.51 -19.59 62.91 Favored 'General case' 0 CA--C 1.591 2.52 0 CA-C-N 119.397 0.999 . . . . 0.0 110.71 176.193 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.262 24.5 t -79.02 -53.97 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 125.931 1.692 . . . . 0.0 110.28 177.573 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 tptm . . . . . 0 CA--C 1.579 2.072 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 177.098 . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 . . . . . 0 CA--C 1.568 1.653 0 N-CA-C 112.876 0.695 . . . . 0.0 112.876 . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -54.31 -46.24 72.78 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 179.736 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.24 14.38 1.53 Allowed 'General case' 0 CA--C 1.568 1.66 0 N-CA-C 118.415 2.746 . . . . 0.0 118.415 177.019 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -145.12 22.01 1.56 Allowed 'General case' 0 CA--C 1.586 2.357 0 C-N-CA 128.708 2.803 . . . . 0.0 112.051 176.742 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -131.39 -49.38 0.99 Allowed 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 128.739 2.816 . . . . 0.0 105.019 176.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 mtt -73.61 -52.1 14.56 Favored 'General case' 0 C--N 1.359 1.003 0 N-CA-C 104.816 -2.291 . . . . 0.0 104.816 176.398 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.51 -34.36 75.38 Favored 'General case' 0 CA--C 1.56 1.345 0 CA-C-N 120.111 1.323 . . . . 0.0 111.889 176.424 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.8 -48.92 72.67 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.69 -58.47 6.81 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.949 0.9 . . . . 0.0 109.957 177.102 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.44 -43.5 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 C-N-CA 124.806 1.243 . . . . 0.0 113.033 176.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.56 -24.95 57.54 Favored Glycine 0 CA--C 1.553 2.442 0 N-CA-C 116.51 1.364 . . . . 0.0 116.51 176.862 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.257 2.9 ttmp? -142.06 48.8 1.58 Allowed 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 125.215 1.406 . . . . 0.0 111.564 176.58 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -137.84 -65.27 0.52 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 102.138 -3.282 . . . . 0.0 102.138 177.292 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.322 29.0 m -103.47 50.01 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.577 2.005 0 CA-C-O 127.028 3.299 . . . . 0.0 110.431 175.775 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -148.54 -48.33 0.15 Allowed 'General case' 0 CA--C 1.565 1.555 1 CA-C-N 106.841 -4.709 . . . . 0.0 101.164 177.292 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.33 -45.84 65.38 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-N 120.887 1.676 . . . . 0.0 108.615 176.384 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -70.36 -19.45 63.03 Favored 'General case' 0 CA--C 1.59 2.517 0 CA-C-N 119.417 1.008 . . . . 0.0 110.792 176.237 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.261 31.8 t -79.92 -54.59 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 125.939 1.696 . . . . 0.0 110.713 177.668 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild core ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp . . . . . 0 CA--C 1.579 2.06 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 177.203 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.251 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -73.33 -156.8 0.04 OUTLIER 'General case' 0 N--CA 1.489 1.51 0 CA-C-O 122.084 0.945 . . . . 0.0 113.536 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -55.2 -46.98 75.91 Favored 'General case' 0 N--CA 1.489 1.483 0 N-CA-C 114.431 1.271 . . . . 0.0 114.431 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.21 13.72 1.76 Allowed 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 118.381 2.734 . . . . 0.0 118.381 177.031 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.0 tppt? -143.96 20.44 1.79 Allowed 'General case' 0 CA--C 1.583 2.218 0 C-N-CA 128.513 2.725 . . . . 0.0 112.555 176.72 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -130.81 -49.28 1.04 Allowed 'General case' 0 CA--C 1.559 1.312 0 C-N-CA 128.413 2.685 . . . . 0.0 104.564 176.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.6 mtt -72.26 -52.0 18.35 Favored 'General case' 0 C--N 1.359 1.01 0 N-CA-C 105.127 -2.175 . . . . 0.0 105.127 176.46 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -61.46 -34.74 75.95 Favored 'General case' 0 CA--C 1.56 1.339 0 CA-C-N 119.969 1.259 . . . . 0.0 111.885 176.456 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.3 t70 -64.87 -48.3 74.76 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 176.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.4 mmm180 -64.1 -58.77 5.66 Favored 'General case' 0 N--CA 1.484 1.236 0 C-N-CA 124.072 0.949 . . . . 0.0 109.735 177.114 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -46.18 -43.72 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.075 0 C-N-CA 124.923 1.289 . . . . 0.0 113.135 177.034 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.32 -27.22 60.24 Favored Glycine 0 CA--C 1.551 2.309 0 N-CA-C 116.4 1.32 . . . . 0.0 116.4 176.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -138.14 46.0 2.07 Favored 'General case' 0 CA--C 1.573 1.861 0 C-N-CA 125.235 1.414 . . . . 0.0 111.674 176.654 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -134.98 -65.5 0.62 Allowed 'General case' 0 N--CA 1.482 1.161 0 N-CA-C 102.113 -3.291 . . . . 0.0 102.113 177.245 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 30.4 m -102.71 50.66 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.897 0 CA-C-O 127.036 3.303 . . . . 0.0 110.59 175.845 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.7 t80 -148.6 -49.24 0.16 Allowed 'General case' 0 CA--C 1.562 1.426 1 CA-C-N 106.832 -4.713 . . . . 0.0 101.312 177.237 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -70.42 -45.04 66.7 Favored 'General case' 0 CA--C 1.562 1.436 0 CA-C-N 120.603 1.547 . . . . 0.0 108.678 176.491 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 95.1 mttt -71.44 -17.85 62.35 Favored 'General case' 0 CA--C 1.588 2.431 0 CA-C-N 119.264 0.938 . . . . 0.0 110.852 176.253 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.255 25.2 t -81.65 -54.31 10.23 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.327 0 C-N-CA 126.16 1.784 . . . . 0.0 110.286 177.631 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.9 tttp -63.41 -14.26 48.46 Favored 'General case' 0 CA--C 1.58 2.114 0 N-CA-C 114.075 1.139 . . . . 0.0 114.075 177.146 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -86.69 -59.33 2.3 Favored 'General case' 0 C--N 1.357 0.897 0 C-N-CA 125.349 1.46 . . . . 0.0 111.933 177.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.724 0 O-C-N 120.419 -1.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.057 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -78.21 -156.85 0.1 Allowed 'General case' 0 CA--C 1.568 1.658 0 O-C-N 117.472 -3.268 . . . . 0.0 113.362 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -55.25 -51.65 65.94 Favored 'General case' 0 N--CA 1.488 1.443 0 C-N-CA 124.36 1.064 . . . . 0.0 113.408 -179.882 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.63 17.53 0.53 Allowed 'General case' 0 CA--C 1.572 1.792 0 N-CA-C 117.851 2.537 . . . . 0.0 117.851 177.045 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.1 mttt -138.8 14.09 2.69 Favored 'General case' 0 CA--C 1.589 2.449 0 C-N-CA 129.39 3.076 . . . . 0.0 112.231 176.499 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 14.9 t-80 -127.32 -45.95 1.5 Allowed 'General case' 0 CA--C 1.565 1.522 0 C-N-CA 129.57 3.148 . . . . 0.0 105.124 176.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.3 ptp -72.76 -51.46 19.01 Favored 'General case' 0 C--N 1.362 1.145 0 N-CA-C 105.564 -2.013 . . . . 0.0 105.564 176.17 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.6 m-85 -62.27 -35.76 79.99 Favored 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 124.906 1.283 . . . . 0.0 112.072 176.643 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -64.47 -48.2 76.13 Favored 'General case' 0 N--CA 1.494 1.775 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 176.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.1 mtt180 -63.98 -58.46 6.66 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.889 0.875 . . . . 0.0 109.987 177.041 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.2 mt -46.59 -43.44 5.98 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 C-N-CA 124.88 1.272 . . . . 0.0 112.963 176.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.13 -23.47 57.4 Favored Glycine 0 CA--C 1.553 2.452 0 N-CA-C 116.789 1.476 . . . . 0.0 116.789 176.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 24.7 ttpp -141.87 45.94 1.67 Allowed 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 125.291 1.436 . . . . 0.0 111.698 176.683 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -136.22 -65.75 0.56 Allowed 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 102.356 -3.201 . . . . 0.0 102.356 177.309 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.329 29.5 m -102.46 47.0 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.858 0 CA-C-O 126.732 3.158 . . . . 0.0 111.319 175.765 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.4 t80 -143.87 -50.04 0.3 Allowed 'General case' 0 CA--C 1.556 1.205 1 CA-C-N 107.138 -4.574 . . . . 0.0 101.415 177.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.7 t70 -73.13 -38.14 66.4 Favored 'General case' 0 CA--C 1.555 1.147 0 CA-C-N 120.55 1.523 . . . . 0.0 110.018 176.451 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -68.48 -25.27 64.89 Favored 'General case' 0 CA--C 1.579 2.059 0 CA-C-N 120.54 1.518 . . . . 0.0 110.884 176.47 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.258 2.7 m -80.54 -53.41 12.7 Favored 'Isoleucine or valine' 0 C--N 1.366 1.286 0 CA-C-N 119.66 1.118 . . . . 0.0 111.68 177.713 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 31.8 mmmt -62.02 -14.28 34.07 Favored 'General case' 0 CA--C 1.578 2.022 0 N-CA-C 113.989 1.107 . . . . 0.0 113.989 177.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -89.37 -60.52 1.93 Allowed 'General case' 0 C--N 1.356 0.891 0 C-N-CA 125.613 1.565 . . . . 0.0 111.329 177.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.776 0 O-C-N 120.423 -1.423 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.112 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -84.36 -147.79 0.1 Allowed 'General case' 0 CA--C 1.572 1.79 0 O-C-N 117.515 -3.24 . . . . 0.0 112.694 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -51.61 -44.47 62.89 Favored 'General case' 0 N--CA 1.492 1.627 0 C-N-CA 125.236 1.414 . . . . 0.0 114.418 177.798 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.94 13.13 1.48 Allowed 'General case' 0 CA--C 1.571 1.761 0 N-CA-C 118.248 2.684 . . . . 0.0 118.248 176.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.8 mttt -142.55 20.18 2.03 Favored 'General case' 0 CA--C 1.59 2.517 0 C-N-CA 129.358 3.063 . . . . 0.0 111.89 176.595 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 28.8 m170 -128.43 -50.79 1.28 Allowed 'General case' 0 CA--C 1.556 1.174 0 C-N-CA 128.947 2.899 . . . . 0.0 105.11 176.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.3 mtt -72.7 -51.95 17.22 Favored 'General case' 0 C--N 1.359 1.007 0 N-CA-C 105.237 -2.134 . . . . 0.0 105.237 176.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.48 -33.91 74.57 Favored 'General case' 0 CA--C 1.559 1.323 0 CA-C-N 119.913 1.233 . . . . 0.0 111.78 176.462 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.2 t70 -65.2 -49.95 67.76 Favored 'General case' 0 N--CA 1.496 1.83 0 N-CA-C 108.826 -0.805 . . . . 0.0 108.826 176.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -62.2 -57.51 11.22 Favored 'General case' 0 N--CA 1.486 1.352 0 C-N-CA 123.971 0.908 . . . . 0.0 110.385 177.137 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.6 mt -47.58 -43.97 9.61 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.023 0 C-N-CA 124.807 1.243 . . . . 0.0 112.781 176.987 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.45 -20.11 54.84 Favored Glycine 0 CA--C 1.554 2.528 0 N-CA-C 117.216 1.646 . . . . 0.0 117.216 176.785 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.257 63.5 pttt -141.98 41.59 1.67 Allowed 'General case' 0 CA--C 1.572 1.804 0 C-N-CA 125.824 1.65 . . . . 0.0 112.866 176.765 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -132.62 -65.33 0.72 Allowed 'General case' 0 N--CA 1.482 1.16 0 N-CA-C 102.509 -3.145 . . . . 0.0 102.509 177.367 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.326 28.7 m -103.57 50.0 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.909 0 CA-C-O 126.93 3.252 . . . . 0.0 110.493 175.816 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -147.79 -48.79 0.17 Allowed 'General case' 0 CA--C 1.563 1.453 1 CA-C-N 106.988 -4.642 . . . . 0.0 101.187 177.159 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.51 -45.63 65.24 Favored 'General case' 0 C--N 1.369 1.43 0 CA-C-N 120.747 1.612 . . . . 0.0 108.449 176.478 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 55.8 tttp -70.41 -19.04 63.02 Favored 'General case' 0 CA--C 1.591 2.519 0 CA-C-N 119.506 1.048 . . . . 0.0 110.877 176.203 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.258 25.4 t -80.26 -54.42 10.84 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.362 0 C-N-CA 125.962 1.705 . . . . 0.0 110.543 177.635 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 50.7 tttp -63.58 -14.11 48.3 Favored 'General case' 0 CA--C 1.579 2.087 0 N-CA-C 114.115 1.154 . . . . 0.0 114.115 177.161 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -87.38 -59.78 2.16 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 125.376 1.471 . . . . 0.0 111.685 177.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.785 0 O-C-N 120.342 -1.474 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.24 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -75.62 -155.04 0.05 OUTLIER 'General case' 0 CA--C 1.568 1.653 0 O-C-N 124.14 0.9 . . . . 0.0 113.053 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -55.41 -46.7 76.63 Favored 'General case' 0 N--CA 1.491 1.624 0 N-CA-C 114.455 1.28 . . . . 0.0 114.455 -179.982 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.24 11.91 2.14 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 118.626 2.824 . . . . 0.0 118.626 177.046 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -141.69 19.97 2.17 Favored 'General case' 0 CA--C 1.586 2.328 0 C-N-CA 128.654 2.782 . . . . 0.0 112.258 176.605 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 21.7 t-80 -130.19 -48.23 1.1 Allowed 'General case' 0 CA--C 1.558 1.288 0 C-N-CA 128.561 2.744 . . . . 0.0 105.384 177.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.2 mtp -73.75 -51.85 15.14 Favored 'General case' 0 C--N 1.358 0.965 0 N-CA-C 104.782 -2.303 . . . . 0.0 104.782 176.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.0 m-85 -61.27 -34.72 75.65 Favored 'General case' 0 CA--C 1.56 1.341 0 CA-C-N 120.198 1.363 . . . . 0.0 111.914 176.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 19.9 t70 -64.46 -48.9 73.53 Favored 'General case' 0 N--CA 1.496 1.862 0 N-CA-C 109.209 -0.663 . . . . 0.0 109.209 176.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -64.07 -58.08 7.72 Favored 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 123.867 0.867 . . . . 0.0 110.141 177.06 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -46.66 -43.79 6.35 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.109 0 C-N-CA 124.869 1.268 . . . . 0.0 112.974 176.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.16 -22.65 56.09 Favored Glycine 0 CA--C 1.554 2.47 0 N-CA-C 116.869 1.508 . . . . 0.0 116.869 176.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.269 24.5 pttm -141.79 43.51 1.71 Allowed 'General case' 0 CA--C 1.572 1.792 0 C-N-CA 125.52 1.528 . . . . 0.0 112.687 176.624 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -134.14 -65.1 0.67 Allowed 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 102.574 -3.121 . . . . 0.0 102.574 177.327 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.32 28.3 m -103.89 50.45 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.907 0 CA-C-O 126.96 3.267 . . . . 0.0 110.383 175.829 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -148.4 -48.66 0.16 Allowed 'General case' 0 CA--C 1.562 1.407 1 CA-C-N 106.932 -4.667 . . . . 0.0 101.557 177.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.7 t70 -71.07 -45.54 63.58 Favored 'General case' 0 CA--C 1.563 1.445 0 CA-C-N 120.413 1.46 . . . . 0.0 108.244 176.432 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -70.61 -19.2 62.86 Favored 'General case' 0 CA--C 1.59 2.486 0 CA-C-N 119.493 1.042 . . . . 0.0 110.748 176.214 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.264 24.5 t -79.03 -53.87 12.74 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.353 0 C-N-CA 125.961 1.704 . . . . 0.0 110.083 177.592 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -61.19 -19.61 61.8 Favored 'General case' 0 CA--C 1.578 2.051 0 N-CA-C 113.509 0.929 . . . . 0.0 113.509 177.05 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -82.68 -58.74 2.77 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 125.055 1.342 . . . . 0.0 112.335 177.828 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.78 0 O-C-N 120.461 -1.399 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.243 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 4.0 mp0 -75.67 -155.09 0.05 OUTLIER 'General case' 0 CA--C 1.568 1.648 0 O-C-N 124.135 0.897 . . . . 0.0 113.005 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -55.34 -46.62 76.38 Favored 'General case' 0 N--CA 1.49 1.545 0 N-CA-C 114.556 1.317 . . . . 0.0 114.556 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.56 12.11 2.18 Favored 'General case' 0 CA--C 1.566 1.58 0 N-CA-C 118.49 2.774 . . . . 0.0 118.49 177.049 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -141.6 19.74 2.19 Favored 'General case' 0 CA--C 1.586 2.329 0 C-N-CA 128.688 2.795 . . . . 0.0 112.293 176.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.6 t-80 -129.78 -50.53 1.14 Allowed 'General case' 0 CA--C 1.555 1.173 0 C-N-CA 128.591 2.756 . . . . 0.0 104.654 177.024 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 mtt -71.46 -51.77 22.02 Favored 'General case' 0 C--N 1.36 1.037 0 N-CA-C 105.215 -2.142 . . . . 0.0 105.215 176.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.0 m-85 -61.32 -33.69 74.01 Favored 'General case' 0 CA--C 1.562 1.425 0 CA-C-N 120.035 1.289 . . . . 0.0 112.045 176.485 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.8 t70 -64.59 -49.98 69.01 Favored 'General case' 0 N--CA 1.495 1.82 0 N-CA-C 109.273 -0.64 . . . . 0.0 109.273 176.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -65.24 -57.09 9.36 Favored 'General case' 0 N--CA 1.483 1.189 0 CA-C-O 118.17 -0.919 . . . . 0.0 109.947 177.221 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.7 mt -46.23 -43.78 5.39 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.108 0 C-N-CA 124.661 1.184 . . . . 0.0 113.262 177.11 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.63 -24.36 56.73 Favored Glycine 0 CA--C 1.553 2.46 0 N-CA-C 116.732 1.453 . . . . 0.0 116.732 176.859 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.3 tttt -142.16 47.75 1.6 Allowed 'General case' 0 CA--C 1.574 1.892 0 C-N-CA 125.359 1.464 . . . . 0.0 111.497 176.603 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.8 t70 -137.62 -65.69 0.52 Allowed 'General case' 0 N--CA 1.483 1.202 0 N-CA-C 102.234 -3.247 . . . . 0.0 102.234 177.288 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.321 28.8 m -103.73 50.22 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.921 0 CA-C-O 126.993 3.283 . . . . 0.0 110.431 175.808 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.6 t80 -148.17 -48.96 0.16 Allowed 'General case' 0 CA--C 1.561 1.382 1 CA-C-N 106.957 -4.656 . . . . 0.0 101.425 177.298 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.7 t70 -70.79 -45.14 65.21 Favored 'General case' 0 CA--C 1.562 1.44 0 CA-C-N 120.637 1.562 . . . . 0.0 108.364 176.42 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.3 tttt -70.33 -20.04 63.02 Favored 'General case' 0 CA--C 1.59 2.51 0 CA-C-N 119.491 1.042 . . . . 0.0 110.675 176.193 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.261 24.2 t -78.61 -54.73 11.46 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.342 0 C-N-CA 125.961 1.704 . . . . 0.0 110.088 177.555 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 72.5 mmtt -64.95 -10.29 28.0 Favored 'General case' 0 CA--C 1.577 1.984 0 N-CA-C 114.338 1.236 . . . . 0.0 114.338 177.118 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.5 tt0 -88.83 -60.2 2.02 Favored 'General case' 0 C--N 1.356 0.852 0 C-N-CA 125.314 1.446 . . . . 0.0 111.52 177.825 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.32 -0.712 0 O-C-N 120.326 -1.484 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.249 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -75.65 -155.24 0.05 OUTLIER 'General case' 0 CA--C 1.568 1.638 0 O-C-N 124.113 0.883 . . . . 0.0 113.119 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -54.73 -46.01 74.19 Favored 'General case' 0 N--CA 1.49 1.568 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.96 13.49 1.73 Allowed 'General case' 0 CA--C 1.567 1.612 0 N-CA-C 118.679 2.844 . . . . 0.0 118.679 177.051 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 2.0 ttmp? -144.43 21.11 1.7 Allowed 'General case' 0 CA--C 1.585 2.289 0 C-N-CA 128.508 2.723 . . . . 0.0 112.272 176.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.4 t-80 -130.65 -48.72 1.05 Allowed 'General case' 0 CA--C 1.558 1.26 0 C-N-CA 128.66 2.784 . . . . 0.0 105.058 177.014 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.6 mtt -73.88 -52.04 14.26 Favored 'General case' 0 C--N 1.361 1.066 0 N-CA-C 104.868 -2.271 . . . . 0.0 104.868 176.322 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.5 m-85 -61.22 -34.26 74.82 Favored 'General case' 0 CA--C 1.559 1.326 0 CA-C-N 120.057 1.299 . . . . 0.0 111.87 176.374 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.9 t70 -64.84 -49.82 69.1 Favored 'General case' 0 N--CA 1.496 1.839 0 N-CA-C 108.832 -0.803 . . . . 0.0 108.832 176.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 91.5 mtt-85 -62.5 -57.54 10.81 Favored 'General case' 0 N--CA 1.484 1.273 0 C-N-CA 124.042 0.937 . . . . 0.0 110.396 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -47.53 -44.01 9.41 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.046 0 C-N-CA 124.827 1.251 . . . . 0.0 112.747 177.013 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.25 -20.83 55.59 Favored Glycine 0 CA--C 1.554 2.504 0 N-CA-C 117.101 1.6 . . . . 0.0 117.101 176.881 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.256 63.7 pttt -141.37 41.48 1.76 Allowed 'General case' 0 CA--C 1.572 1.806 0 C-N-CA 125.782 1.633 . . . . 0.0 112.967 176.73 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.4 t70 -132.38 -65.71 0.72 Allowed 'General case' 0 N--CA 1.481 1.117 0 N-CA-C 102.165 -3.272 . . . . 0.0 102.165 177.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 30.2 m -102.9 50.63 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.898 0 CA-C-O 126.96 3.267 . . . . 0.0 110.549 175.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -148.31 -49.12 0.16 Allowed 'General case' 0 CA--C 1.562 1.431 1 CA-C-N 106.908 -4.678 . . . . 0.0 101.289 177.176 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.8 t70 -70.7 -45.17 65.46 Favored 'General case' 0 CA--C 1.563 1.449 0 CA-C-N 120.709 1.595 . . . . 0.0 108.525 176.459 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 64.5 mttm -71.13 -17.77 62.54 Favored 'General case' 0 CA--C 1.588 2.407 0 CA-C-N 119.332 0.969 . . . . 0.0 110.985 176.224 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.256 25.1 t -81.83 -54.49 9.74 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.323 0 C-N-CA 126.212 1.805 . . . . 0.0 110.325 177.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -63.6 -13.84 45.85 Favored 'General case' 0 CA--C 1.579 2.061 0 N-CA-C 114.15 1.167 . . . . 0.0 114.15 177.139 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -86.89 -59.3 2.3 Favored 'General case' 0 C--N 1.356 0.888 0 C-N-CA 125.349 1.46 . . . . 0.0 111.951 177.836 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.72 0 O-C-N 120.467 -1.396 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.233 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -75.45 -155.09 0.05 OUTLIER 'General case' 0 CA--C 1.568 1.643 0 O-C-N 124.143 0.902 . . . . 0.0 113.09 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -55.31 -46.84 76.28 Favored 'General case' 0 N--CA 1.491 1.577 0 N-CA-C 114.429 1.27 . . . . 0.0 114.429 179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.98 11.82 2.07 Favored 'General case' 0 CA--C 1.566 1.566 0 N-CA-C 118.682 2.845 . . . . 0.0 118.682 177.043 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 62.8 mttp -141.7 19.94 2.17 Favored 'General case' 0 CA--C 1.585 2.31 0 C-N-CA 128.661 2.784 . . . . 0.0 112.295 176.629 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 20.7 t-80 -130.27 -48.15 1.09 Allowed 'General case' 0 CA--C 1.559 1.292 0 C-N-CA 128.561 2.744 . . . . 0.0 105.417 177.022 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.5 mtm -73.79 -51.81 15.19 Favored 'General case' 0 C--N 1.359 0.982 0 N-CA-C 104.724 -2.324 . . . . 0.0 104.724 176.385 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.3 m-85 -61.46 -34.68 75.85 Favored 'General case' 0 CA--C 1.559 1.298 0 CA-C-N 120.109 1.322 . . . . 0.0 111.914 176.453 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -64.54 -48.81 73.7 Favored 'General case' 0 N--CA 1.495 1.824 0 N-CA-C 109.096 -0.705 . . . . 0.0 109.096 176.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.1 mtt180 -63.86 -58.56 6.42 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.957 0.903 . . . . 0.0 110.015 177.095 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -46.25 -43.73 5.42 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.095 0 C-N-CA 124.893 1.277 . . . . 0.0 113.091 177.036 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.68 -26.18 59.7 Favored Glycine 0 CA--C 1.552 2.344 0 N-CA-C 116.531 1.373 . . . . 0.0 116.531 176.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 57.6 mtpt -138.36 45.06 2.09 Favored 'General case' 0 CA--C 1.574 1.897 0 C-N-CA 125.357 1.463 . . . . 0.0 111.59 176.634 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -134.04 -65.68 0.65 Allowed 'General case' 0 N--CA 1.483 1.196 0 N-CA-C 102.439 -3.171 . . . . 0.0 102.439 177.344 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 29.2 m -103.43 50.99 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.883 0 CA-C-O 127.003 3.287 . . . . 0.0 110.382 175.806 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.5 t80 -148.45 -49.21 0.16 Allowed 'General case' 0 CA--C 1.561 1.377 1 CA-C-N 106.874 -4.693 . . . . 0.0 101.496 177.29 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.9 t70 -70.7 -45.37 65.09 Favored 'General case' 0 CA--C 1.563 1.478 0 CA-C-N 120.345 1.43 . . . . 0.0 108.277 176.448 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 60.8 mttp -71.14 -17.71 62.54 Favored 'General case' 0 CA--C 1.588 2.431 0 CA-C-N 119.353 0.979 . . . . 0.0 110.912 176.228 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.26 24.0 t -80.95 -54.08 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.374 0 C-N-CA 126.032 1.733 . . . . 0.0 109.978 177.567 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.33 -16.49 54.63 Favored 'General case' 0 CA--C 1.579 2.085 0 N-CA-C 113.923 1.083 . . . . 0.0 113.923 177.106 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -85.91 -59.53 2.28 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 125.251 1.42 . . . . 0.0 111.791 177.833 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 O-C-N 120.401 -1.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.282 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -75.03 -158.37 0.08 Allowed 'General case' 0 CA--C 1.567 1.614 0 N-CA-C 113.564 0.95 . . . . 0.0 113.564 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.8 t -56.47 -52.79 63.39 Favored 'General case' 0 N--CA 1.487 1.424 0 C-N-CA 124.368 1.067 . . . . 0.0 113.111 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.16 17.56 0.45 Allowed 'General case' 0 CA--C 1.572 1.796 0 N-CA-C 117.856 2.539 . . . . 0.0 117.856 177.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 99.0 mttt -138.21 13.92 2.82 Favored 'General case' 0 CA--C 1.589 2.463 0 C-N-CA 129.392 3.077 . . . . 0.0 112.311 176.457 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 51.6 t-80 -126.69 -48.12 1.53 Allowed 'General case' 0 CA--C 1.563 1.479 0 C-N-CA 129.607 3.163 . . . . 0.0 104.351 176.751 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.9 ptt? -70.36 -52.47 22.29 Favored 'General case' 0 C--N 1.363 1.185 0 N-CA-C 106.191 -1.781 . . . . 0.0 106.191 176.266 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -62.03 -34.12 75.64 Favored 'General case' 0 CA--C 1.559 1.31 0 CA-C-N 119.74 1.155 . . . . 0.0 112.462 176.732 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -65.17 -50.4 66.09 Favored 'General case' 0 N--CA 1.491 1.595 0 N-CA-C 109.148 -0.686 . . . . 0.0 109.148 177.07 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.3 32.4 ptt180 -66.33 -53.4 36.79 Favored 'General case' 0 N--CA 1.486 1.358 0 CA-C-O 117.683 -1.151 . . . . 0.0 110.48 177.181 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -47.93 -43.98 11.04 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.096 0 CA-C-N 120.141 1.337 . . . . 0.0 112.945 177.064 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.47 -21.9 55.25 Favored Glycine 0 CA--C 1.554 2.499 0 N-CA-C 117.238 1.655 . . . . 0.0 117.238 176.904 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 34.4 ttpt -142.87 44.87 1.59 Allowed 'General case' 0 CA--C 1.576 1.949 0 C-N-CA 125.613 1.565 . . . . 0.0 112.153 176.726 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.7 t70 -135.47 -65.84 0.59 Allowed 'General case' 0 N--CA 1.483 1.199 0 N-CA-C 102.233 -3.247 . . . . 0.0 102.233 177.293 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.327 28.8 m -102.55 47.24 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.878 0 CA-C-O 126.73 3.157 . . . . 0.0 111.169 175.782 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -143.75 -49.54 0.3 Allowed 'General case' 0 CA--C 1.556 1.198 1 CA-C-N 107.175 -4.557 . . . . 0.0 101.751 177.042 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.6 t70 -74.17 -38.66 63.61 Favored 'General case' 0 C--N 1.362 1.141 0 CA-C-N 120.262 1.392 . . . . 0.0 109.891 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 61.7 tttm -68.23 -25.22 65.09 Favored 'General case' 0 CA--C 1.578 2.032 0 CA-C-N 120.617 1.553 . . . . 0.0 110.904 176.504 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.25 2.6 m -80.57 -52.9 13.67 Favored 'Isoleucine or valine' 0 C--N 1.365 1.242 0 CA-C-N 119.697 1.135 . . . . 0.0 111.626 177.685 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.26 -16.06 41.41 Favored 'General case' 0 CA--C 1.58 2.102 0 N-CA-C 113.768 1.025 . . . . 0.0 113.768 177.159 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.0 tm-20 -88.16 -60.47 1.96 Allowed 'General case' 0 C--N 1.356 0.876 0 C-N-CA 125.663 1.585 . . . . 0.0 111.064 177.675 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.748 0 O-C-N 120.375 -1.453 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.278 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -74.58 -161.59 0.13 Allowed 'General case' 0 CA--C 1.565 1.528 0 N-CA-C 113.438 0.903 . . . . 0.0 113.438 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -57.22 -53.84 53.58 Favored 'General case' 0 N--CA 1.487 1.41 0 C-N-CA 124.148 0.979 . . . . 0.0 113.059 -179.823 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.37 20.55 0.4 Allowed 'General case' 0 CA--C 1.574 1.879 0 N-CA-C 117.38 2.363 . . . . 0.0 117.38 177.005 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 51.1 tttm -141.53 15.41 2.18 Favored 'General case' 0 CA--C 1.589 2.467 0 C-N-CA 129.484 3.114 . . . . 0.0 112.295 176.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 16.9 t-80 -128.48 -46.68 1.31 Allowed 'General case' 0 CA--C 1.566 1.566 0 C-N-CA 129.721 3.209 . . . . 0.0 104.746 176.776 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.1 ptt? -72.63 -52.32 15.88 Favored 'General case' 0 C--N 1.363 1.163 0 N-CA-C 105.395 -2.076 . . . . 0.0 105.395 176.136 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 10.9 m-85 -61.72 -35.58 78.46 Favored 'General case' 0 CA--C 1.558 1.258 0 CA-C-N 119.939 1.245 . . . . 0.0 112.047 176.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.4 t70 -64.3 -49.43 71.8 Favored 'General case' 0 N--CA 1.495 1.786 0 N-CA-C 108.751 -0.833 . . . . 0.0 108.751 176.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.3 mtt180 -63.01 -57.41 10.78 Favored 'General case' 0 N--CA 1.484 1.234 0 C-N-CA 123.893 0.877 . . . . 0.0 110.468 177.167 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.8 mt -47.39 -44.04 8.87 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 C-N-CA 124.902 1.281 . . . . 0.0 112.798 176.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -60.65 -20.1 55.8 Favored Glycine 0 CA--C 1.554 2.52 0 N-CA-C 117.329 1.692 . . . . 0.0 117.329 176.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.257 63.9 pttt -141.16 39.55 1.77 Allowed 'General case' 0 CA--C 1.572 1.793 0 C-N-CA 125.777 1.631 . . . . 0.0 112.978 176.792 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -130.0 -66.55 0.78 Allowed 'General case' 0 N--CA 1.481 1.124 0 N-CA-C 102.253 -3.24 . . . . 0.0 102.253 177.303 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.33 29.1 m -101.63 47.98 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.838 0 CA-C-O 126.705 3.145 . . . . 0.0 111.341 175.868 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.8 t80 -144.17 -49.62 0.29 Allowed 'General case' 0 CA--C 1.556 1.185 1 CA-C-N 107.14 -4.573 . . . . 0.0 102.099 177.06 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.0 t70 -75.05 -38.11 61.49 Favored 'General case' 0 CA--C 1.554 1.105 0 CA-C-N 120.191 1.36 . . . . 0.0 109.962 176.531 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.6 mttt -69.46 -22.86 63.61 Favored 'General case' 0 CA--C 1.576 1.946 0 CA-C-N 120.618 1.554 . . . . 0.0 110.981 176.522 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.78 -53.2 12.13 Favored 'Isoleucine or valine' 0 C--N 1.366 1.294 0 CA-C-N 119.883 1.22 . . . . 0.0 111.338 177.607 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -61.59 -15.63 40.8 Favored 'General case' 0 CA--C 1.58 2.102 0 N-CA-C 113.866 1.062 . . . . 0.0 113.866 177.171 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -88.85 -60.54 1.93 Allowed 'General case' 0 C--N 1.356 0.877 0 C-N-CA 125.528 1.531 . . . . 0.0 111.334 177.681 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.731 0 O-C-N 120.418 -1.426 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.088 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -77.48 -151.83 0.05 OUTLIER 'General case' 0 CA--C 1.57 1.735 0 O-C-N 124.213 0.946 . . . . 0.0 113.215 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -51.23 -45.46 61.95 Favored 'General case' 0 N--CA 1.491 1.607 0 N-CA-C 114.772 1.397 . . . . 0.0 114.772 178.002 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.4 14.66 1.17 Allowed 'General case' 0 CA--C 1.569 1.692 0 N-CA-C 118.513 2.783 . . . . 0.0 118.513 177.035 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.2 tppt? -145.99 22.28 1.4 Allowed 'General case' 0 CA--C 1.587 2.393 0 C-N-CA 128.993 2.917 . . . . 0.0 112.11 176.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.4 m170 -130.82 -50.13 1.04 Allowed 'General case' 0 CA--C 1.557 1.218 0 C-N-CA 128.947 2.899 . . . . 0.0 104.861 176.905 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.8 mtm -73.39 -52.42 13.86 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 104.988 -2.227 . . . . 0.0 104.988 176.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.9 m-85 -61.37 -33.96 74.53 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 119.947 1.248 . . . . 0.0 111.916 176.439 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.05 -48.88 72.24 Favored 'General case' 0 N--CA 1.497 1.882 0 N-CA-C 109.081 -0.711 . . . . 0.0 109.081 176.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.63 -58.27 7.46 Favored 'General case' 0 N--CA 1.484 1.249 0 C-N-CA 123.998 0.919 . . . . 0.0 110.007 177.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -46.68 -43.64 6.29 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.041 0 C-N-CA 124.806 1.243 . . . . 0.0 112.982 176.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.04 -23.92 57.76 Favored Glycine 0 CA--C 1.551 2.343 0 N-CA-C 116.707 1.443 . . . . 0.0 116.707 176.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.8 tttp -141.68 47.19 1.66 Allowed 'General case' 0 CA--C 1.574 1.902 0 C-N-CA 125.219 1.408 . . . . 0.0 111.544 176.63 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -136.49 -65.86 0.55 Allowed 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 102.28 -3.23 . . . . 0.0 102.28 177.332 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.326 28.4 m -102.52 47.13 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.91 0 CA-C-O 126.733 3.159 . . . . 0.0 111.2 175.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.1 t80 -143.98 -49.51 0.29 Allowed 'General case' 0 CA--C 1.556 1.19 1 CA-C-N 107.136 -4.574 . . . . 0.0 101.852 177.09 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.5 t70 -74.32 -37.79 63.5 Favored 'General case' 0 C--N 1.362 1.118 0 CA-C-N 120.342 1.428 . . . . 0.0 110.001 176.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -68.41 -26.86 65.75 Favored 'General case' 0 CA--C 1.577 1.989 0 CA-C-N 120.597 1.544 . . . . 0.0 110.536 176.491 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 2.5 m -79.17 -52.97 14.3 Favored 'Isoleucine or valine' 0 C--N 1.364 1.226 0 CA-C-N 119.634 1.106 . . . . 0.0 111.869 177.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.5 tttt -61.34 -16.03 42.0 Favored 'General case' 0 CA--C 1.579 2.09 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 177.185 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.1 tp10 -87.47 -59.42 2.25 Favored 'General case' 0 C--N 1.356 0.851 0 C-N-CA 125.427 1.491 . . . . 0.0 111.555 177.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.764 0 O-C-N 120.46 -1.4 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.086 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -77.16 -152.38 0.05 OUTLIER 'General case' 0 CA--C 1.57 1.746 0 O-C-N 124.203 0.939 . . . . 0.0 113.331 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.9 t -52.14 -45.71 65.12 Favored 'General case' 0 N--CA 1.493 1.68 0 N-CA-C 114.793 1.405 . . . . 0.0 114.793 178.311 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.03 12.12 1.95 Allowed 'General case' 0 CA--C 1.568 1.64 0 N-CA-C 118.448 2.759 . . . . 0.0 118.448 177.039 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 97.7 mttt -142.58 21.71 2.01 Favored 'General case' 0 CA--C 1.589 2.458 0 C-N-CA 129.092 2.957 . . . . 0.0 111.919 176.604 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 36.4 m170 -130.37 -49.99 1.09 Allowed 'General case' 0 CA--C 1.556 1.202 0 C-N-CA 128.865 2.866 . . . . 0.0 105.09 176.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 mtt -73.04 -52.01 15.96 Favored 'General case' 0 C--N 1.36 1.025 0 N-CA-C 105.099 -2.186 . . . . 0.0 105.099 176.461 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.2 m-85 -61.55 -33.92 74.67 Favored 'General case' 0 CA--C 1.561 1.395 0 CA-C-N 119.898 1.226 . . . . 0.0 111.868 176.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.8 t70 -65.19 -48.69 72.55 Favored 'General case' 0 N--CA 1.495 1.789 0 N-CA-C 109.179 -0.674 . . . . 0.0 109.179 176.952 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 41.1 mmt180 -64.19 -58.16 7.4 Favored 'General case' 0 N--CA 1.485 1.292 0 C-N-CA 123.76 0.824 . . . . 0.0 109.802 177.105 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -46.52 -43.53 5.89 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 C-N-CA 124.802 1.241 . . . . 0.0 113.051 177.024 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.74 -24.26 57.0 Favored Glycine 0 CA--C 1.554 2.475 0 N-CA-C 116.639 1.415 . . . . 0.0 116.639 176.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 79.7 tttt -142.15 48.36 1.58 Allowed 'General case' 0 CA--C 1.574 1.903 0 C-N-CA 125.224 1.41 . . . . 0.0 111.4 176.585 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -138.2 -65.54 0.51 Allowed 'General case' 0 N--CA 1.482 1.172 0 N-CA-C 102.329 -3.212 . . . . 0.0 102.329 177.317 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.321 27.6 m -103.75 49.95 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.96 0 CA-C-O 127.007 3.289 . . . . 0.0 110.5 175.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.2 t80 -148.36 -48.47 0.16 Allowed 'General case' 0 CA--C 1.563 1.479 1 CA-C-N 106.884 -4.689 . . . . 0.0 101.3 177.234 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 13.4 t70 -70.57 -45.7 64.9 Favored 'General case' 0 C--N 1.368 1.391 0 CA-C-N 120.732 1.605 . . . . 0.0 108.513 176.522 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 23.1 tptm -70.75 -19.01 62.77 Favored 'General case' 0 CA--C 1.59 2.485 0 CA-C-N 119.534 1.061 . . . . 0.0 110.836 176.214 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.26 27.6 t -79.89 -54.28 11.38 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.381 0 C-N-CA 125.964 1.706 . . . . 0.0 110.494 177.639 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 59.8 tttm -63.48 -14.34 49.9 Favored 'General case' 0 CA--C 1.58 2.1 0 N-CA-C 114.049 1.129 . . . . 0.0 114.049 177.197 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -86.08 -59.27 2.34 Favored 'General case' 0 C--N 1.356 0.878 0 C-N-CA 125.278 1.431 . . . . 0.0 111.998 177.821 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.744 0 O-C-N 120.469 -1.394 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' B ACE . . . . . 0.449 ' H1 ' ' HD2' ' A' ' 4' ' ' LYS . . . . . . . . 0 C--O 1.234 0.273 . . . . . . . . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -74.03 -161.79 0.13 Allowed 'General case' 0 CA--C 1.562 1.433 0 CA-C-O 122.757 1.265 . . . . 0.0 113.738 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.3 t -57.12 -53.9 52.87 Favored 'General case' 0 N--CA 1.485 1.278 0 C-N-CA 124.607 1.163 . . . . 0.0 112.65 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.74 19.19 0.4 Allowed 'General case' 0 CA--C 1.573 1.834 0 N-CA-C 117.482 2.401 . . . . 0.0 117.482 176.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . 0.449 ' HD2' ' H1 ' ' A' ' 1' B ACE . 1.6 ttmp? -138.69 12.56 2.71 Favored 'General case' 0 CA--C 1.586 2.354 0 C-N-CA 129.201 3.001 . . . . 0.0 112.609 176.552 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 42.7 t-80 -126.69 -47.15 1.55 Allowed 'General case' 0 CA--C 1.565 1.551 0 C-N-CA 129.273 3.029 . . . . 0.0 104.184 176.638 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -70.18 -51.7 29.09 Favored 'General case' 0 C--N 1.363 1.17 0 N-CA-C 106.064 -1.828 . . . . 0.0 106.064 176.295 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 8.9 m-85 -61.99 -35.55 78.84 Favored 'General case' 0 CA--C 1.558 1.256 0 C-N-CA 124.754 1.221 . . . . 0.0 112.232 176.671 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -64.92 -47.95 75.9 Favored 'General case' 0 N--CA 1.494 1.75 0 C-N-CA 123.352 0.661 . . . . 0.0 109.303 176.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -64.82 -57.86 7.75 Favored 'General case' 0 N--CA 1.484 1.227 0 C-N-CA 123.683 0.793 . . . . 0.0 109.672 177.121 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.8 mt -46.66 -43.42 6.12 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.092 0 C-N-CA 124.8 1.24 . . . . 0.0 113.016 176.93 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.43 -24.42 56.06 Favored Glycine 0 CA--C 1.554 2.495 0 N-CA-C 116.615 1.406 . . . . 0.0 116.615 176.873 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.3 tttm -142.22 48.16 1.58 Allowed 'General case' 0 CA--C 1.575 1.934 0 C-N-CA 125.301 1.44 . . . . 0.0 111.471 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.3 t70 -138.63 -65.34 0.5 Allowed 'General case' 0 N--CA 1.484 1.228 0 N-CA-C 102.064 -3.31 . . . . 0.0 102.064 177.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.297 33.0 m -103.63 51.26 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.862 0 CA-C-O 127.176 3.369 . . . . 0.0 110.365 175.703 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.4 t80 -150.73 -48.43 0.12 Allowed 'General case' 0 CA--C 1.562 1.409 1 CA-C-N 106.874 -4.694 . . . . 0.0 101.849 177.277 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -71.83 -45.38 61.64 Favored 'General case' 0 C--N 1.366 1.312 0 CA-C-N 120.459 1.481 . . . . 0.0 108.906 176.621 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 9.9 mtmp? -75.18 -11.13 60.01 Favored 'General case' 0 CA--C 1.588 2.42 0 CA-C-N 119.83 1.196 . . . . 0.0 111.281 176.319 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 33.6 t -85.98 -54.19 8.89 Favored 'Isoleucine or valine' 0 N--CA 1.484 1.246 0 C-N-CA 126.402 1.881 . . . . 0.0 109.731 177.495 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.7 tttt -63.76 -13.96 48.36 Favored 'General case' 0 CA--C 1.579 2.062 0 N-CA-C 114.229 1.196 . . . . 0.0 114.229 177.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -88.15 -59.43 2.24 Favored 'General case' 0 C--N 1.356 0.859 0 C-N-CA 125.334 1.453 . . . . 0.0 111.647 177.83 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.789 0 O-C-N 120.392 -1.443 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.039 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -78.55 -153.56 0.07 Allowed 'General case' 0 CA--C 1.569 1.68 0 O-C-N 117.462 -3.274 . . . . 0.0 112.964 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -54.1 -46.04 72.0 Favored 'General case' 0 N--CA 1.492 1.627 0 N-CA-C 114.572 1.323 . . . . 0.0 114.572 179.536 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.4 12.03 2.15 Favored 'General case' 0 CA--C 1.567 1.632 0 N-CA-C 118.557 2.799 . . . . 0.0 118.557 176.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 63.0 mttp -141.84 20.14 2.15 Favored 'General case' 0 CA--C 1.586 2.364 0 C-N-CA 128.735 2.814 . . . . 0.0 112.18 176.628 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 33.3 t-80 -130.18 -49.98 1.1 Allowed 'General case' 0 CA--C 1.555 1.169 0 C-N-CA 128.585 2.754 . . . . 0.0 104.966 177.013 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.3 mtp -72.08 -51.6 20.79 Favored 'General case' 0 C--N 1.359 0.997 0 N-CA-C 105.05 -2.204 . . . . 0.0 105.05 176.336 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 17.9 m-85 -61.38 -33.42 73.62 Favored 'General case' 0 CA--C 1.561 1.393 0 CA-C-N 120.033 1.288 . . . . 0.0 111.947 176.47 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -64.73 -50.2 67.83 Favored 'General case' 0 N--CA 1.494 1.759 0 N-CA-C 108.926 -0.768 . . . . 0.0 108.926 176.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -64.52 -57.81 8.15 Favored 'General case' 0 N--CA 1.484 1.255 0 CA-C-O 118.409 -0.805 . . . . 0.0 109.997 177.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 56.0 mt -45.51 -43.85 3.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.11 0 C-N-CA 124.672 1.189 . . . . 0.0 113.534 177.123 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.42 -26.74 59.82 Favored Glycine 0 CA--C 1.552 2.402 0 N-CA-C 116.525 1.37 . . . . 0.0 116.525 176.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 mtpm? -138.56 45.69 2.04 Favored 'General case' 0 CA--C 1.575 1.917 0 C-N-CA 125.344 1.457 . . . . 0.0 111.601 176.621 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -134.74 -65.01 0.65 Allowed 'General case' 0 N--CA 1.485 1.283 0 N-CA-C 102.487 -3.153 . . . . 0.0 102.487 177.315 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.323 27.7 m -103.61 50.22 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.933 0 CA-C-O 126.991 3.281 . . . . 0.0 110.427 175.765 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 90.8 t80 -148.61 -48.88 0.15 Allowed 'General case' 0 CA--C 1.562 1.434 1 CA-C-N 106.918 -4.674 . . . . 0.0 101.32 177.186 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.6 t70 -70.34 -45.81 65.43 Favored 'General case' 0 C--N 1.368 1.395 0 CA-C-N 120.658 1.572 . . . . 0.0 108.622 176.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 22.3 tptm -71.41 -18.32 62.35 Favored 'General case' 0 CA--C 1.59 2.486 0 CA-C-N 119.701 1.137 . . . . 0.0 110.924 176.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.257 25.0 t -79.49 -54.27 11.69 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.343 0 C-N-CA 125.928 1.691 . . . . 0.0 109.999 177.568 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 36.0 ttpt -64.54 -12.12 41.36 Favored 'General case' 0 CA--C 1.581 2.135 0 N-CA-C 114.21 1.189 . . . . 0.0 114.21 177.044 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -83.4 -59.01 2.59 Favored 'General case' 0 C--N 1.356 0.861 0 C-N-CA 125.554 1.542 . . . . 0.0 111.535 177.736 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.734 0 O-C-N 120.527 -1.358 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.234 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . 0.264 4.0 mp0 52.77 -148.05 0.44 Allowed 'General case' 0 CA--C 1.566 1.587 0 N-CA-C 115.229 1.566 . . . . 0.0 115.229 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.8 t -53.3 -41.17 65.34 Favored 'General case' 0 N--CA 1.487 1.41 0 N-CA-C 115.003 1.483 . . . . 0.0 115.003 177.819 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.09 11.43 2.78 Favored 'General case' 0 N--CA 1.492 1.625 0 N-CA-C 119.669 3.211 . . . . 0.0 119.669 177.264 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 6.3 tmtt? -146.55 24.03 1.25 Allowed 'General case' 0 CA--C 1.586 2.331 0 C-N-CA 128.447 2.699 . . . . 0.0 111.552 176.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -131.81 -49.55 0.96 Allowed 'General case' 0 CA--C 1.558 1.276 0 C-N-CA 128.758 2.823 . . . . 0.0 104.768 176.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.2 mtt -73.84 -52.71 12.14 Favored 'General case' 0 C--N 1.36 1.033 0 N-CA-C 104.823 -2.288 . . . . 0.0 104.823 176.321 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.8 m-85 -61.21 -34.09 74.54 Favored 'General case' 0 CA--C 1.561 1.373 0 CA-C-N 119.963 1.256 . . . . 0.0 111.841 176.501 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -65.11 -48.88 72.07 Favored 'General case' 0 N--CA 1.495 1.797 0 N-CA-C 109.108 -0.701 . . . . 0.0 109.108 176.976 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.4 mtt180 -63.67 -58.31 7.31 Favored 'General case' 0 N--CA 1.484 1.247 0 C-N-CA 123.932 0.893 . . . . 0.0 109.976 177.102 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.62 -43.53 6.1 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.097 0 C-N-CA 124.814 1.246 . . . . 0.0 112.96 177.015 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.72 -24.39 57.13 Favored Glycine 0 CA--C 1.553 2.445 0 N-CA-C 116.608 1.403 . . . . 0.0 116.608 176.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 55.7 tttm -141.97 48.25 1.6 Allowed 'General case' 0 CA--C 1.573 1.849 0 C-N-CA 125.278 1.431 . . . . 0.0 111.433 176.573 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -138.13 -65.89 0.5 Allowed 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 102.172 -3.27 . . . . 0.0 102.172 177.291 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.318 29.0 m -103.69 51.06 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.915 0 CA-C-O 127.03 3.3 . . . . 0.0 110.273 175.827 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.2 t80 -149.09 -48.66 0.14 Allowed 'General case' 0 CA--C 1.562 1.432 1 CA-C-N 106.844 -4.707 . . . . 0.0 101.654 177.317 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.4 t70 -71.07 -45.8 63.11 Favored 'General case' 0 CA--C 1.562 1.404 0 CA-C-N 120.352 1.433 . . . . 0.0 108.415 176.422 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 74.4 mmtt -71.71 -16.72 62.24 Favored 'General case' 0 CA--C 1.587 2.381 0 CA-C-N 119.516 1.053 . . . . 0.0 110.955 176.156 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.261 24.5 t -80.81 -53.76 11.82 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.325 0 C-N-CA 126.019 1.727 . . . . 0.0 109.693 177.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 9.4 tmtm? -61.08 -19.82 61.88 Favored 'General case' 0 CA--C 1.578 2.048 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.7 tm-20 -83.73 -59.49 2.41 Favored 'General case' 0 C--N 1.357 0.907 0 C-N-CA 125.169 1.388 . . . . 0.0 111.741 177.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.739 0 O-C-N 120.332 -1.48 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.23 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -74.65 -161.94 0.15 Allowed 'General case' 0 CA--C 1.564 1.499 0 N-CA-C 113.466 0.913 . . . . 0.0 113.466 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t -57.16 -53.94 52.44 Favored 'General case' 0 N--CA 1.487 1.387 0 C-N-CA 124.148 0.979 . . . . 0.0 113.02 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.21 20.44 0.39 Allowed 'General case' 0 CA--C 1.574 1.875 0 N-CA-C 117.486 2.402 . . . . 0.0 117.486 176.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 45.6 tttp -141.35 15.81 2.21 Favored 'General case' 0 CA--C 1.589 2.479 0 C-N-CA 129.387 3.075 . . . . 0.0 112.345 176.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 46.3 t-80 -128.66 -48.98 1.26 Allowed 'General case' 0 CA--C 1.563 1.46 0 C-N-CA 129.729 3.211 . . . . 0.0 104.076 176.774 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 6.2 ptt? -70.27 -52.36 23.52 Favored 'General case' 0 C--N 1.363 1.181 0 N-CA-C 105.841 -1.911 . . . . 0.0 105.841 176.209 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 11.1 m-85 -61.68 -34.7 76.19 Favored 'General case' 0 CA--C 1.559 1.317 0 CA-C-N 119.809 1.186 . . . . 0.0 112.243 176.675 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -64.19 -49.44 72.02 Favored 'General case' 0 N--CA 1.494 1.772 0 C-N-CA 123.44 0.696 . . . . 0.0 109.192 176.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 9.1 mpt_? -65.78 -56.98 9.13 Favored 'General case' 0 N--CA 1.484 1.226 0 CA-C-O 118.125 -0.941 . . . . 0.0 110.053 177.186 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -46.12 -43.94 5.22 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 124.743 1.217 . . . . 0.0 113.29 177.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.01 -24.11 57.93 Favored Glycine 0 CA--C 1.553 2.429 0 N-CA-C 116.847 1.499 . . . . 0.0 116.847 176.962 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.7 tttt -141.44 46.3 1.71 Allowed 'General case' 0 CA--C 1.575 1.907 0 C-N-CA 125.39 1.476 . . . . 0.0 111.609 176.617 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -135.82 -67.16 0.53 Allowed 'General case' 0 N--CA 1.481 1.109 0 N-CA-C 101.834 -3.395 . . . . 0.0 101.834 177.239 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 29.8 m -101.65 48.54 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.571 1.782 0 CA-C-O 126.808 3.194 . . . . 0.0 111.207 175.896 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.2 t80 -144.66 -49.21 0.26 Allowed 'General case' 0 CA--C 1.554 1.108 1 CA-C-N 107.072 -4.604 . . . . 0.0 102.585 177.103 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 12.0 t70 -75.84 -37.7 58.76 Favored 'General case' 0 CA--C 1.556 1.182 0 CA-C-N 119.848 1.203 . . . . 0.0 109.842 176.458 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.8 mttt -69.93 -23.25 63.18 Favored 'General case' 0 CA--C 1.576 1.972 0 CA-C-N 120.412 1.46 . . . . 0.0 110.798 176.465 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.9 m -81.65 -52.98 13.07 Favored 'Isoleucine or valine' 0 C--N 1.366 1.325 0 CA-C-N 119.892 1.224 . . . . 0.0 111.078 177.604 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.9 tptt -60.51 -18.03 49.29 Favored 'General case' 0 CA--C 1.58 2.122 0 N-CA-C 113.653 0.983 . . . . 0.0 113.653 177.125 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -86.47 -60.09 2.1 Favored 'General case' 0 C--N 1.356 0.853 0 C-N-CA 125.298 1.439 . . . . 0.0 111.602 177.646 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 O-C-N 120.452 -1.405 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.207 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 19.1 mm-40 46.97 -137.73 0.72 Allowed 'General case' 0 CA--C 1.561 1.367 0 N-CA-C 116.363 1.986 . . . . 0.0 116.363 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -51.05 -43.71 60.99 Favored 'General case' 0 N--CA 1.486 1.372 0 C-N-CA 125.555 1.542 . . . . 0.0 114.838 177.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.48 13.55 1.95 Allowed 'General case' 0 CA--C 1.568 1.65 0 N-CA-C 118.932 2.938 . . . . 0.0 118.932 177.132 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 31.3 ttmt -145.27 19.79 1.56 Allowed 'General case' 0 CA--C 1.585 2.312 0 C-N-CA 128.717 2.807 . . . . 0.0 112.166 176.63 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.7 m170 -128.92 -49.05 1.23 Allowed 'General case' 0 CA--C 1.557 1.244 0 C-N-CA 128.596 2.759 . . . . 0.0 104.851 176.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.4 mtt -73.65 -52.29 13.86 Favored 'General case' 0 C--N 1.361 1.084 0 N-CA-C 105.032 -2.21 . . . . 0.0 105.032 176.376 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -61.0 -33.73 73.71 Favored 'General case' 0 CA--C 1.561 1.375 0 CA-C-N 119.981 1.264 . . . . 0.0 112.022 176.478 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.0 t70 -65.3 -48.97 71.27 Favored 'General case' 0 N--CA 1.495 1.815 0 N-CA-C 109.161 -0.681 . . . . 0.0 109.161 176.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 6.2 mmp_? -64.39 -57.62 8.79 Favored 'General case' 0 N--CA 1.484 1.238 0 C-N-CA 123.501 0.72 . . . . 0.0 110.003 177.133 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.0 mt -46.66 -43.55 6.2 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.061 0 C-N-CA 124.76 1.224 . . . . 0.0 113.151 176.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.45 -25.19 57.57 Favored Glycine 0 CA--C 1.553 2.425 0 N-CA-C 116.506 1.362 . . . . 0.0 116.506 176.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.4 ttmt -141.47 48.19 1.65 Allowed 'General case' 0 CA--C 1.574 1.871 0 C-N-CA 125.18 1.392 . . . . 0.0 111.528 176.613 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -137.57 -65.88 0.52 Allowed 'General case' 0 N--CA 1.482 1.149 0 N-CA-C 101.866 -3.383 . . . . 0.0 101.866 177.278 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.322 30.1 m -102.77 50.69 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.576 1.953 0 CA-C-O 127.034 3.302 . . . . 0.0 110.527 175.847 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 85.5 t80 -148.82 -48.82 0.15 Allowed 'General case' 0 CA--C 1.564 1.495 1 CA-C-N 106.791 -4.731 . . . . 0.0 101.283 177.235 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.3 t70 -70.6 -45.25 65.68 Favored 'General case' 0 CA--C 1.562 1.417 0 CA-C-N 120.709 1.595 . . . . 0.0 108.663 176.438 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -71.34 -17.72 62.42 Favored 'General case' 0 CA--C 1.588 2.423 0 CA-C-N 119.206 0.912 . . . . 0.0 110.923 176.269 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.255 25.5 t -81.83 -54.4 9.94 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 126.127 1.771 . . . . 0.0 110.27 177.655 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -63.65 -13.99 47.69 Favored 'General case' 0 CA--C 1.58 2.1 0 N-CA-C 114.119 1.155 . . . . 0.0 114.119 177.156 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.8 tt0 -87.84 -59.75 2.16 Favored 'General case' 0 C--N 1.356 0.871 0 C-N-CA 125.391 1.476 . . . . 0.0 111.63 177.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.766 0 O-C-N 120.377 -1.452 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.123 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.9 mt-10 -75.11 -151.87 0.03 OUTLIER 'General case' 0 CA--C 1.568 1.645 0 N-CA-C 113.746 1.017 . . . . 0.0 113.746 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -50.61 -44.94 57.24 Favored 'General case' 0 N--CA 1.491 1.589 0 C-N-CA 125.298 1.439 . . . . 0.0 114.877 177.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.01 14.46 1.4 Allowed 'General case' 0 CA--C 1.57 1.72 0 N-CA-C 118.466 2.765 . . . . 0.0 118.466 177.03 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 24.6 tptp -146.19 23.01 1.35 Allowed 'General case' 0 CA--C 1.587 2.401 0 C-N-CA 129.078 2.951 . . . . 0.0 111.931 176.65 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 39.1 m170 -131.25 -49.96 1.01 Allowed 'General case' 0 CA--C 1.557 1.229 0 C-N-CA 128.98 2.912 . . . . 0.0 105.012 176.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.3 mtp -73.85 -52.51 12.78 Favored 'General case' 0 C--N 1.359 1.015 0 N-CA-C 104.855 -2.276 . . . . 0.0 104.855 176.416 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 22.1 m-85 -61.29 -33.93 74.37 Favored 'General case' 0 CA--C 1.56 1.334 0 CA-C-N 119.972 1.26 . . . . 0.0 111.973 176.463 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.86 -49.03 72.13 Favored 'General case' 0 N--CA 1.496 1.852 0 N-CA-C 109.021 -0.733 . . . . 0.0 109.021 176.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 82.5 mtt85 -63.72 -58.5 6.68 Favored 'General case' 0 N--CA 1.484 1.274 0 C-N-CA 123.78 0.832 . . . . 0.0 110.095 177.07 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.9 mt -46.2 -43.61 5.26 Favored 'Isoleucine or valine' 0 N--CA 1.502 2.128 0 C-N-CA 124.775 1.23 . . . . 0.0 113.156 177.05 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.61 -26.41 59.85 Favored Glycine 0 CA--C 1.552 2.369 0 N-CA-C 116.471 1.349 . . . . 0.0 116.471 176.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 99.4 mttt -138.46 45.61 2.05 Favored 'General case' 0 CA--C 1.574 1.872 0 C-N-CA 125.335 1.454 . . . . 0.0 111.664 176.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -134.89 -65.45 0.62 Allowed 'General case' 0 N--CA 1.483 1.184 0 N-CA-C 102.406 -3.183 . . . . 0.0 102.406 177.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 28.2 m -103.2 50.57 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.924 0 CA-C-O 127.021 3.296 . . . . 0.0 110.483 175.745 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -148.78 -48.75 0.15 Allowed 'General case' 0 CA--C 1.563 1.445 1 CA-C-N 106.802 -4.727 . . . . 0.0 101.284 177.174 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 18.0 t70 -70.29 -46.19 64.82 Favored 'General case' 0 C--N 1.368 1.413 0 CA-C-N 120.737 1.608 . . . . 0.0 108.521 176.513 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.1 mmmp? -71.72 -16.15 62.22 Favored 'General case' 0 CA--C 1.587 2.372 0 CA-C-N 119.691 1.132 . . . . 0.0 111.279 176.214 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.255 27.0 t -82.23 -54.03 10.56 Favored 'Isoleucine or valine' 0 N--CA 1.485 1.287 0 C-N-CA 126.058 1.743 . . . . 0.0 110.224 177.537 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.6 tttt -63.8 -13.58 45.47 Favored 'General case' 0 CA--C 1.579 2.086 0 N-CA-C 114.101 1.149 . . . . 0.0 114.101 177.184 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.8 tp10 -85.96 -59.31 2.34 Favored 'General case' 0 C--N 1.356 0.862 0 C-N-CA 125.314 1.446 . . . . 0.0 111.933 177.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.758 0 O-C-N 120.518 -1.364 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.084 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -77.23 -151.68 0.04 OUTLIER 'General case' 0 CA--C 1.57 1.739 0 O-C-N 124.243 0.964 . . . . 0.0 113.222 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.8 t -51.51 -45.47 62.91 Favored 'General case' 0 N--CA 1.492 1.632 0 N-CA-C 114.792 1.405 . . . . 0.0 114.792 177.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.84 12.3 1.79 Allowed 'General case' 0 CA--C 1.569 1.694 0 N-CA-C 118.576 2.806 . . . . 0.0 118.576 177.066 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 32.2 mmmt -142.6 20.71 2.02 Favored 'General case' 0 CA--C 1.588 2.422 0 C-N-CA 129.107 2.963 . . . . 0.0 112.067 176.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 37.9 m170 -129.35 -50.9 1.18 Allowed 'General case' 0 CA--C 1.555 1.14 0 C-N-CA 128.784 2.834 . . . . 0.0 104.821 176.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 5.3 mtp -71.93 -52.07 19.0 Favored 'General case' 0 C--N 1.36 1.046 0 N-CA-C 105.329 -2.1 . . . . 0.0 105.329 176.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -61.29 -33.93 74.37 Favored 'General case' 0 CA--C 1.56 1.331 0 CA-C-N 119.887 1.221 . . . . 0.0 111.992 176.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -65.25 -49.46 69.53 Favored 'General case' 0 N--CA 1.496 1.836 0 N-CA-C 108.972 -0.751 . . . . 0.0 108.972 176.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 86.4 mtm180 -63.19 -57.53 10.19 Favored 'General case' 0 N--CA 1.485 1.325 0 C-N-CA 123.894 0.878 . . . . 0.0 110.216 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.5 mt -47.28 -43.72 8.19 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.067 0 C-N-CA 124.763 1.225 . . . . 0.0 112.83 176.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.79 -21.41 55.23 Favored Glycine 0 CA--C 1.553 2.456 0 N-CA-C 117.11 1.604 . . . . 0.0 117.11 176.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.267 14.6 ptmm? -141.21 40.71 1.78 Allowed 'General case' 0 CA--C 1.572 1.822 0 C-N-CA 125.561 1.544 . . . . 0.0 112.92 176.668 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 8.9 t70 -131.17 -65.63 0.77 Allowed 'General case' 0 N--CA 1.482 1.162 0 N-CA-C 102.602 -3.11 . . . . 0.0 102.602 177.353 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 28.8 m -102.64 47.6 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.847 0 CA-C-O 126.744 3.164 . . . . 0.0 111.22 175.809 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.2 t80 -144.0 -49.12 0.29 Allowed 'General case' 0 CA--C 1.554 1.105 1 CA-C-N 107.15 -4.568 . . . . 0.0 102.269 177.102 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 15.7 t70 -75.23 -37.67 60.95 Favored 'General case' 0 CA--C 1.556 1.188 0 CA-C-N 120.045 1.293 . . . . 0.0 109.685 176.457 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -68.35 -27.09 65.95 Favored 'General case' 0 CA--C 1.575 1.931 0 CA-C-N 120.5 1.5 . . . . 0.0 110.485 176.427 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.257 2.7 m -78.37 -52.85 15.0 Favored 'Isoleucine or valine' 0 C--N 1.365 1.276 0 CA-C-N 119.749 1.159 . . . . 0.0 111.655 177.713 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -59.62 -20.76 58.12 Favored 'General case' 0 CA--C 1.579 2.059 0 N-CA-C 113.322 0.86 . . . . 0.0 113.322 177.102 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -84.23 -59.96 2.23 Favored 'General case' 0 C--N 1.355 0.846 0 C-N-CA 125.218 1.407 . . . . 0.0 111.715 177.731 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.793 0 O-C-N 120.394 -1.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.232 0.153 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 15.5 mm-40 -77.66 -141.29 0.02 OUTLIER 'General case' 0 CA--C 1.565 1.533 0 O-C-N 124.328 1.018 . . . . 0.0 113.599 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -51.45 -45.8 62.82 Favored 'General case' 0 N--CA 1.488 1.431 0 N-CA-C 115.327 1.603 . . . . 0.0 115.327 -179.853 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.71 13.76 1.55 Allowed 'General case' 0 CA--C 1.568 1.657 0 N-CA-C 118.854 2.909 . . . . 0.0 118.854 177.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 43.6 tptt -145.57 21.34 1.5 Allowed 'General case' 0 CA--C 1.586 2.336 0 C-N-CA 128.766 2.827 . . . . 0.0 112.155 176.665 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 44.1 m170 -130.42 -49.13 1.08 Allowed 'General case' 0 CA--C 1.557 1.225 0 C-N-CA 128.766 2.826 . . . . 0.0 104.953 176.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.1 mtp -73.77 -52.22 13.88 Favored 'General case' 0 C--N 1.36 1.042 0 N-CA-C 104.931 -2.248 . . . . 0.0 104.931 176.399 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.7 m-85 -61.17 -34.23 74.7 Favored 'General case' 0 CA--C 1.561 1.37 0 CA-C-N 119.995 1.27 . . . . 0.0 111.932 176.489 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.9 t70 -64.96 -48.88 72.47 Favored 'General case' 0 N--CA 1.495 1.796 0 N-CA-C 109.069 -0.715 . . . . 0.0 109.069 176.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.62 -58.31 7.35 Favored 'General case' 0 N--CA 1.484 1.269 0 C-N-CA 123.974 0.909 . . . . 0.0 110.012 177.087 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -46.71 -43.56 6.32 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.074 0 C-N-CA 124.787 1.235 . . . . 0.0 112.966 177.002 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.25 -23.5 57.72 Favored Glycine 0 CA--C 1.553 2.408 0 N-CA-C 116.717 1.447 . . . . 0.0 116.717 176.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.8 tttt -141.8 46.79 1.66 Allowed 'General case' 0 CA--C 1.574 1.874 0 C-N-CA 125.269 1.428 . . . . 0.0 111.466 176.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -136.39 -66.11 0.55 Allowed 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 102.284 -3.228 . . . . 0.0 102.284 177.291 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 29.1 m -102.7 47.81 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.862 0 CA-C-O 126.769 3.176 . . . . 0.0 111.108 175.78 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.6 t80 -144.24 -49.16 0.28 Allowed 'General case' 0 CA--C 1.554 1.123 1 CA-C-N 107.144 -4.571 . . . . 0.0 102.29 177.143 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.4 t70 -75.23 -37.91 60.85 Favored 'General case' 0 CA--C 1.556 1.176 0 CA-C-N 119.975 1.261 . . . . 0.0 109.649 176.432 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 56.9 tttp -68.67 -25.55 64.86 Favored 'General case' 0 CA--C 1.579 2.067 0 CA-C-N 120.521 1.51 . . . . 0.0 110.693 176.447 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 2.8 m -79.73 -53.03 13.9 Favored 'Isoleucine or valine' 0 C--N 1.365 1.276 0 CA-C-N 119.714 1.143 . . . . 0.0 111.389 177.684 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -60.48 -18.03 48.94 Favored 'General case' 0 CA--C 1.58 2.125 0 N-CA-C 113.649 0.981 . . . . 0.0 113.649 177.104 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -86.48 -60.11 2.09 Favored 'General case' 0 C--N 1.355 0.836 0 C-N-CA 125.349 1.46 . . . . 0.0 111.566 177.744 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.77 0 O-C-N 120.401 -1.437 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.085 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -84.21 -150.74 0.12 Allowed 'General case' 0 CA--C 1.571 1.766 0 O-C-N 117.523 -3.236 . . . . 0.0 113.05 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -51.85 -49.74 62.29 Favored 'General case' 0 N--CA 1.49 1.57 0 C-N-CA 125.03 1.332 . . . . 0.0 113.253 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.09 21.23 0.34 Allowed 'General case' 0 CA--C 1.578 2.041 0 N-CA-C 117.334 2.346 . . . . 0.0 117.334 176.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.1 tmtp? -144.01 19.83 1.78 Allowed 'General case' 0 CA--C 1.595 2.7 0 C-N-CA 130.06 3.344 . . . . 0.0 111.621 176.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 30.8 m170 -130.36 -49.49 1.08 Allowed 'General case' 0 CA--C 1.563 1.443 0 C-N-CA 130.02 3.328 . . . . 0.0 104.117 176.704 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 15.1 ptm -71.98 -52.6 16.3 Favored 'General case' 0 C--N 1.365 1.273 0 N-CA-C 105.801 -1.926 . . . . 0.0 105.801 176.331 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 14.0 m-85 -62.33 -35.06 77.91 Favored 'General case' 0 CA--C 1.558 1.255 0 C-N-CA 124.691 1.196 . . . . 0.0 112.096 176.687 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 12.9 t70 -64.86 -47.55 77.52 Favored 'General case' 0 N--CA 1.494 1.731 0 N-CA-C 109.195 -0.669 . . . . 0.0 109.195 176.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 27.3 mmt85 -65.01 -58.48 5.99 Favored 'General case' 0 N--CA 1.484 1.228 0 C-N-CA 123.731 0.812 . . . . 0.0 109.741 177.125 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 53.6 mt -46.04 -43.48 4.85 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.085 0 C-N-CA 124.779 1.231 . . . . 0.0 113.222 177.022 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.38 -26.84 59.85 Favored Glycine 0 CA--C 1.551 2.293 0 N-CA-C 116.449 1.34 . . . . 0.0 116.449 176.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.5 mttm -138.55 46.11 2.02 Favored 'General case' 0 CA--C 1.573 1.852 0 C-N-CA 125.383 1.473 . . . . 0.0 111.529 176.601 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -135.1 -65.51 0.61 Allowed 'General case' 0 N--CA 1.483 1.179 0 N-CA-C 102.464 -3.162 . . . . 0.0 102.464 177.277 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 27.3 m -103.08 50.0 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.932 0 CA-C-O 127.025 3.298 . . . . 0.0 110.579 175.779 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 91.9 t80 -147.73 -48.77 0.17 Allowed 'General case' 0 CA--C 1.562 1.44 1 CA-C-N 106.904 -4.68 . . . . 0.0 101.469 177.281 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.5 t70 -70.27 -45.5 66.27 Favored 'General case' 0 CA--C 1.563 1.448 0 CA-C-N 120.436 1.471 . . . . 0.0 108.378 176.418 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 1.1 tmmt? -68.98 -23.84 64.16 Favored 'General case' 0 CA--C 1.587 2.389 0 CA-C-N 119.339 0.972 . . . . 0.0 110.24 176.134 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.272 25.1 t -74.97 -53.7 15.87 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.407 0 C-N-CA 125.653 1.581 . . . . 0.0 110.628 177.629 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 14.9 tmtt? -61.49 -19.43 62.05 Favored 'General case' 0 CA--C 1.579 2.083 0 N-CA-C 113.436 0.902 . . . . 0.0 113.436 177.004 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 2.2 tm-20 -82.31 -59.88 2.4 Favored 'General case' 0 C--N 1.356 0.875 0 C-N-CA 125.133 1.373 . . . . 0.0 111.824 177.862 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.761 0 O-C-N 120.313 -1.492 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.098 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 021 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.8 mp0 -77.53 -151.75 0.05 OUTLIER 'General case' 0 CA--C 1.569 1.707 0 O-C-N 124.234 0.959 . . . . 0.0 113.234 . . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.7 t -51.39 -45.02 62.33 Favored 'General case' 0 N--CA 1.492 1.657 0 N-CA-C 114.852 1.427 . . . . 0.0 114.852 178.026 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.78 14.64 1.27 Allowed 'General case' 0 CA--C 1.569 1.71 0 N-CA-C 118.45 2.759 . . . . 0.0 118.45 177.013 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 13.3 tppt? -145.97 22.19 1.41 Allowed 'General case' 0 CA--C 1.586 2.362 0 C-N-CA 129.04 2.936 . . . . 0.0 112.123 176.682 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 38.2 m170 -130.66 -50.1 1.06 Allowed 'General case' 0 CA--C 1.557 1.221 0 C-N-CA 128.932 2.893 . . . . 0.0 104.86 176.912 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.4 mtp -73.39 -52.49 13.59 Favored 'General case' 0 C--N 1.36 1.039 0 N-CA-C 104.964 -2.235 . . . . 0.0 104.964 176.459 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 21.1 m-85 -61.2 -33.94 74.28 Favored 'General case' 0 CA--C 1.559 1.318 0 CA-C-N 119.969 1.259 . . . . 0.0 111.963 176.496 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -65.19 -49.18 70.79 Favored 'General case' 0 N--CA 1.495 1.782 0 N-CA-C 109.031 -0.729 . . . . 0.0 109.031 176.935 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 99.0 mtt180 -63.25 -57.86 9.05 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 123.966 0.906 . . . . 0.0 110.16 177.078 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.9 mt -47.01 -43.71 7.07 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.1 0 C-N-CA 124.773 1.229 . . . . 0.0 112.864 176.949 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.8 -21.68 55.76 Favored Glycine 0 CA--C 1.553 2.407 0 N-CA-C 117.096 1.598 . . . . 0.0 117.096 176.849 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.269 14.6 ptmm? -141.0 40.66 1.8 Allowed 'General case' 0 CA--C 1.571 1.76 0 C-N-CA 125.598 1.559 . . . . 0.0 112.893 176.625 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -130.92 -65.88 0.77 Allowed 'General case' 0 N--CA 1.48 1.052 0 N-CA-C 102.588 -3.116 . . . . 0.0 102.588 177.346 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.326 30.1 m -102.85 49.04 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.84 0 CA-C-O 126.824 3.202 . . . . 0.0 110.948 175.832 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.9 t80 -144.68 -49.16 0.26 Allowed 'General case' 0 CA--C 1.552 1.021 1 CA-C-N 107.051 -4.613 . . . . 0.0 102.718 177.233 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.3 t70 -76.18 -37.98 57.19 Favored 'General case' 0 CA--C 1.559 1.29 0 CA-C-O 117.622 -1.18 . . . . 0.0 109.244 176.36 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 40.1 ttmt -68.35 -26.2 65.47 Favored 'General case' 0 CA--C 1.577 1.999 0 CA-C-N 120.394 1.452 . . . . 0.0 110.768 176.506 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 3.0 m -78.44 -52.87 14.93 Favored 'Isoleucine or valine' 0 C--N 1.366 1.286 0 CA-C-N 119.725 1.148 . . . . 0.0 111.416 177.682 . . . . . . . . 2 2 . 1 . 021 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 60.8 mtpt -62.7 -13.61 34.43 Favored 'General case' 0 CA--C 1.577 1.99 0 N-CA-C 114.175 1.176 . . . . 0.0 114.175 177.133 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 10.0 tp10 -88.53 -59.11 2.32 Favored 'General case' 0 C--N 1.354 0.802 0 C-N-CA 125.285 1.434 . . . . 0.0 111.59 177.705 . . . . . . . . 1 1 . 1 . 021 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.727 0 O-C-N 120.489 -1.382 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.052 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 022 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -78.62 -153.32 0.07 Allowed 'General case' 0 CA--C 1.569 1.699 0 O-C-N 117.451 -3.281 . . . . 0.0 112.891 . . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.0 t -54.4 -46.4 73.12 Favored 'General case' 0 N--CA 1.492 1.634 0 N-CA-C 114.481 1.289 . . . . 0.0 114.481 179.499 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.02 11.66 2.16 Favored 'General case' 0 CA--C 1.567 1.622 0 N-CA-C 118.568 2.803 . . . . 0.0 118.568 177.012 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.7 mttt -141.05 18.95 2.28 Favored 'General case' 0 CA--C 1.585 2.309 0 C-N-CA 128.655 2.782 . . . . 0.0 112.304 176.648 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 41.5 t-80 -129.3 -48.75 1.19 Allowed 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 128.456 2.703 . . . . 0.0 105.267 176.978 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.2 mtp -72.7 -51.7 18.24 Favored 'General case' 0 C--N 1.359 1.016 0 N-CA-C 104.943 -2.243 . . . . 0.0 104.943 176.448 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -61.42 -34.76 75.92 Favored 'General case' 0 CA--C 1.56 1.361 0 CA-C-N 120.075 1.307 . . . . 0.0 111.899 176.46 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.4 t70 -64.72 -48.65 73.84 Favored 'General case' 0 N--CA 1.496 1.856 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 176.92 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 89.6 mmt-85 -64.09 -58.15 7.49 Favored 'General case' 0 N--CA 1.484 1.239 0 C-N-CA 124.039 0.936 . . . . 0.0 109.932 177.177 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.67 -44.01 6.49 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.118 0 C-N-CA 124.959 1.304 . . . . 0.0 112.97 177.03 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.25 -25.24 59.91 Favored Glycine 0 CA--C 1.551 2.32 0 N-CA-C 116.791 1.476 . . . . 0.0 116.791 176.967 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 8.4 mptt -137.58 43.03 2.31 Favored 'General case' 0 CA--C 1.576 1.948 0 C-N-CA 125.336 1.454 . . . . 0.0 111.677 176.682 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -131.59 -65.71 0.75 Allowed 'General case' 0 N--CA 1.484 1.245 0 N-CA-C 102.609 -3.108 . . . . 0.0 102.609 177.273 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.332 28.5 m -102.32 47.4 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.881 0 CA-C-O 126.726 3.155 . . . . 0.0 111.218 175.778 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 94.7 t80 -143.8 -49.67 0.3 Allowed 'General case' 0 CA--C 1.555 1.159 1 CA-C-N 107.122 -4.581 . . . . 0.0 101.952 177.038 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -74.24 -38.18 63.57 Favored 'General case' 0 CA--C 1.555 1.149 0 CA-C-N 120.18 1.355 . . . . 0.0 109.854 176.529 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 85.1 tttt -68.5 -25.35 64.91 Favored 'General case' 0 CA--C 1.578 2.045 0 CA-C-N 120.577 1.535 . . . . 0.0 110.806 176.471 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.252 2.6 m -80.5 -53.12 13.3 Favored 'Isoleucine or valine' 0 C--N 1.365 1.259 0 CA-C-N 119.663 1.12 . . . . 0.0 111.593 177.727 . . . . . . . . 2 2 . 1 . 022 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -61.18 -16.35 43.73 Favored 'General case' 0 CA--C 1.58 2.116 0 N-CA-C 113.8 1.037 . . . . 0.0 113.8 177.166 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -87.2 -59.41 2.26 Favored 'General case' 0 C--N 1.356 0.867 0 C-N-CA 125.415 1.486 . . . . 0.0 111.654 177.621 . . . . . . . . 1 1 . 1 . 022 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.762 0 O-C-N 120.45 -1.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.233 0.189 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 023 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 18.1 mm-40 -76.83 -141.57 0.02 OUTLIER 'General case' 0 CA--C 1.564 1.499 0 O-C-N 124.284 0.99 . . . . 0.0 113.488 . . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.9 t -54.21 -46.27 72.44 Favored 'General case' 0 N--CA 1.487 1.397 0 N-CA-C 114.928 1.455 . . . . 0.0 114.928 -179.812 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.52 13.15 1.69 Allowed 'General case' 0 CA--C 1.568 1.638 0 N-CA-C 118.942 2.941 . . . . 0.0 118.942 177.166 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 4.7 tmtm? -146.07 24.43 1.31 Allowed 'General case' 0 CA--C 1.588 2.41 0 C-N-CA 128.539 2.736 . . . . 0.0 111.58 176.548 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 27.3 t-80 -132.89 -49.35 0.88 Allowed 'General case' 0 CA--C 1.559 1.304 0 C-N-CA 128.609 2.763 . . . . 0.0 104.818 176.912 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 4.9 mtm -73.98 -52.89 11.36 Favored 'General case' 0 C--N 1.36 1.024 0 N-CA-C 104.712 -2.329 . . . . 0.0 104.712 176.372 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 20.5 m-85 -61.45 -34.37 75.31 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-N 120.0 1.273 . . . . 0.0 112.006 176.477 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -64.99 -48.32 74.4 Favored 'General case' 0 N--CA 1.495 1.781 0 N-CA-C 109.208 -0.664 . . . . 0.0 109.208 176.979 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -64.34 -58.14 7.35 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 123.911 0.884 . . . . 0.0 109.902 177.071 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.3 mt -46.63 -43.47 6.09 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.077 0 C-N-CA 124.812 1.245 . . . . 0.0 112.99 177.035 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.64 -24.89 57.71 Favored Glycine 0 CA--C 1.552 2.402 0 N-CA-C 116.529 1.371 . . . . 0.0 116.529 176.887 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.0 tttm -141.53 48.15 1.65 Allowed 'General case' 0 CA--C 1.574 1.888 0 C-N-CA 125.228 1.411 . . . . 0.0 111.453 176.592 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -137.85 -66.15 0.5 Allowed 'General case' 0 N--CA 1.481 1.094 0 N-CA-C 101.926 -3.361 . . . . 0.0 101.926 177.269 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.323 29.7 m -102.94 50.77 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 CA-C-O 127.023 3.297 . . . . 0.0 110.554 175.855 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 89.6 t80 -148.82 -48.93 0.15 Allowed 'General case' 0 CA--C 1.563 1.45 1 CA-C-N 106.828 -4.715 . . . . 0.0 101.398 177.207 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -70.79 -44.99 65.49 Favored 'General case' 0 C--N 1.368 1.406 0 CA-C-N 120.615 1.552 . . . . 0.0 108.679 176.458 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 94.9 mttt -71.64 -17.67 62.24 Favored 'General case' 0 CA--C 1.588 2.416 0 CA-C-N 119.359 0.981 . . . . 0.0 110.845 176.246 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.258 25.5 t -81.5 -54.34 10.22 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.337 0 C-N-CA 126.197 1.799 . . . . 0.0 110.201 177.616 . . . . . . . . 2 2 . 1 . 023 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 80.9 tttt -63.49 -14.3 49.51 Favored 'General case' 0 CA--C 1.579 2.096 0 N-CA-C 114.012 1.116 . . . . 0.0 114.012 177.137 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 1.8 tm-20 -87.89 -60.08 2.07 Favored 'General case' 0 C--N 1.357 0.895 0 C-N-CA 125.534 1.533 . . . . 0.0 111.29 177.817 . . . . . . . . 1 1 . 1 . 023 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.757 0 O-C-N 120.304 -1.497 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.249 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 024 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 38.2 mt-10 -73.46 -156.33 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.504 0 N-CA-C 113.447 0.906 . . . . 0.0 113.447 . . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -55.14 -46.87 75.69 Favored 'General case' 0 N--CA 1.488 1.467 0 N-CA-C 114.445 1.276 . . . . 0.0 114.445 -179.948 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.56 11.58 2.44 Favored 'General case' 0 CA--C 1.566 1.589 0 N-CA-C 118.539 2.792 . . . . 0.0 118.539 177.075 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.7 mmtt -141.45 19.88 2.22 Favored 'General case' 0 CA--C 1.585 2.319 0 C-N-CA 128.597 2.759 . . . . 0.0 112.31 176.58 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.3 t-80 -129.52 -50.1 1.17 Allowed 'General case' 0 CA--C 1.558 1.261 0 C-N-CA 128.575 2.75 . . . . 0.0 104.642 176.949 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 mtt -71.83 -52.46 17.38 Favored 'General case' 0 C--N 1.361 1.071 0 N-CA-C 105.372 -2.084 . . . . 0.0 105.372 176.472 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 16.2 m-85 -61.56 -33.04 73.17 Favored 'General case' 0 CA--C 1.56 1.354 0 CA-C-N 120.019 1.282 . . . . 0.0 112.194 176.489 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 15.5 t70 -65.63 -51.88 56.16 Favored 'General case' 0 N--CA 1.491 1.625 0 N-CA-C 109.099 -0.704 . . . . 0.0 109.099 177.147 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . 0.295 7.9 ptm85 -65.04 -52.09 57.83 Favored 'General case' 0 N--CA 1.485 1.314 0 CA-C-O 117.652 -1.166 . . . . 0.0 110.947 177.299 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 55.5 mt -49.05 -44.75 16.33 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.066 0 CA-C-N 120.134 1.334 . . . . 0.0 112.697 177.06 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -61.77 -16.94 53.16 Favored Glycine 0 CA--C 1.555 2.563 0 N-CA-C 117.971 1.948 . . . . 0.0 117.971 176.955 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.254 22.9 pttp -142.99 38.47 1.44 Allowed 'General case' 0 CA--C 1.573 1.865 0 C-N-CA 126.212 1.805 . . . . 0.0 113.399 176.884 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.0 t70 -129.21 -66.48 0.81 Allowed 'General case' 0 N--CA 1.483 1.205 0 N-CA-C 102.356 -3.201 . . . . 0.0 102.356 177.312 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.33 27.7 m -102.46 47.72 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.572 1.823 0 CA-C-O 126.729 3.157 . . . . 0.0 111.135 175.849 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.4 t80 -143.53 -49.64 0.31 Allowed 'General case' 0 CA--C 1.556 1.203 1 CA-C-N 107.201 -4.545 . . . . 0.0 101.919 177.04 . . . . . . . . 2 2 . 1 . 024 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 14.1 t70 -74.82 -38.63 62.0 Favored 'General case' 0 C--N 1.362 1.123 0 CA-C-N 120.232 1.378 . . . . 0.0 109.722 176.549 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 58.4 mttp -68.87 -22.78 64.17 Favored 'General case' 0 CA--C 1.575 1.94 0 CA-C-N 120.693 1.588 . . . . 0.0 111.194 176.484 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 2.6 m -82.98 -53.15 12.15 Favored 'Isoleucine or valine' 0 C--N 1.365 1.272 0 CA-C-N 119.875 1.216 . . . . 0.0 111.326 177.633 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 82.4 tttt -61.59 -15.67 41.22 Favored 'General case' 0 CA--C 1.58 2.112 0 N-CA-C 113.847 1.054 . . . . 0.0 113.847 177.192 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.6 tt0 -88.85 -60.46 1.95 Allowed 'General case' 0 C--N 1.356 0.865 0 C-N-CA 125.492 1.517 . . . . 0.0 111.343 177.715 . . . . . . . . 1 1 . 1 . 024 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.766 0 O-C-N 120.381 -1.449 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.28 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 025 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -75.09 -157.83 0.07 Allowed 'General case' 0 CA--C 1.567 1.597 0 O-C-N 124.08 0.863 . . . . 0.0 113.132 . . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 t -57.02 -48.4 78.59 Favored 'General case' 0 N--CA 1.491 1.622 0 N-CA-C 114.163 1.171 . . . . 0.0 114.163 -179.92 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.6 12.86 1.84 Allowed 'General case' 0 CA--C 1.567 1.609 0 N-CA-C 118.217 2.673 . . . . 0.0 118.217 177.03 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 37.5 mtmm -140.56 17.97 2.36 Favored 'General case' 0 CA--C 1.584 2.269 0 C-N-CA 128.59 2.756 . . . . 0.0 112.538 176.681 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 10.7 t-160 -128.86 -49.56 1.23 Allowed 'General case' 0 CA--C 1.556 1.21 0 C-N-CA 128.383 2.673 . . . . 0.0 104.753 176.933 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.4 mtt -71.53 -51.45 23.47 Favored 'General case' 0 C--N 1.359 1.018 0 N-CA-C 105.358 -2.09 . . . . 0.0 105.358 176.434 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -61.65 -34.52 75.85 Favored 'General case' 0 CA--C 1.56 1.352 0 CA-C-N 120.035 1.289 . . . . 0.0 111.989 176.539 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -65.01 -48.81 72.6 Favored 'General case' 0 N--CA 1.496 1.833 0 N-CA-C 109.235 -0.654 . . . . 0.0 109.235 177.014 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 88.0 mtm180 -63.76 -57.98 8.28 Favored 'General case' 0 N--CA 1.484 1.231 0 C-N-CA 124.015 0.926 . . . . 0.0 109.968 177.096 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.2 mt -46.93 -43.63 6.83 Favored 'Isoleucine or valine' 0 N--CA 1.499 2.022 0 C-N-CA 124.82 1.248 . . . . 0.0 112.931 176.925 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.18 -23.22 57.21 Favored Glycine 0 CA--C 1.553 2.411 0 N-CA-C 116.803 1.481 . . . . 0.0 116.803 176.858 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 78.9 tttt -141.98 46.68 1.65 Allowed 'General case' 0 CA--C 1.575 1.904 0 C-N-CA 125.279 1.432 . . . . 0.0 111.582 176.614 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.1 t70 -136.48 -65.75 0.56 Allowed 'General case' 0 N--CA 1.483 1.204 0 N-CA-C 102.383 -3.191 . . . . 0.0 102.383 177.327 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.325 27.8 m -102.83 47.18 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.574 1.891 0 CA-C-O 126.716 3.15 . . . . 0.0 111.169 175.762 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.7 t80 -144.0 -49.25 0.29 Allowed 'General case' 0 CA--C 1.556 1.199 1 CA-C-N 107.146 -4.57 . . . . 0.0 101.958 177.046 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 11.3 t70 -74.73 -38.07 62.38 Favored 'General case' 0 C--N 1.362 1.113 0 CA-C-N 120.187 1.358 . . . . 0.0 109.869 176.533 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 57.8 tptt -68.77 -24.99 64.49 Favored 'General case' 0 CA--C 1.578 2.033 0 CA-C-N 120.672 1.578 . . . . 0.0 110.853 176.463 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.252 2.5 m -80.65 -53.1 13.28 Favored 'Isoleucine or valine' 0 C--N 1.366 1.319 0 CA-C-N 119.652 1.115 . . . . 0.0 111.6 177.703 . . . . . . . . 2 2 . 1 . 025 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 61.2 tttm -61.4 -16.18 43.96 Favored 'General case' 0 CA--C 1.579 2.093 0 N-CA-C 113.83 1.048 . . . . 0.0 113.83 177.166 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 38.8 tt0 -87.79 -60.32 2.0 Favored 'General case' 0 C--N 1.356 0.876 0 C-N-CA 125.493 1.517 . . . . 0.0 111.394 177.67 . . . . . . . . 1 1 . 1 . 025 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.754 0 O-C-N 120.389 -1.444 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.271 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 026 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.69 -155.8 0.04 OUTLIER 'General case' 0 CA--C 1.564 1.499 0 N-CA-C 113.517 0.932 . . . . 0.0 113.517 . . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.6 t -54.87 -46.59 74.75 Favored 'General case' 0 N--CA 1.489 1.486 0 N-CA-C 114.356 1.243 . . . . 0.0 114.356 -179.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -78.34 11.59 2.34 Favored 'General case' 0 CA--C 1.566 1.569 0 N-CA-C 118.603 2.816 . . . . 0.0 118.603 177.078 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.5 mttt -141.09 18.77 2.28 Favored 'General case' 0 CA--C 1.584 2.287 0 C-N-CA 128.639 2.775 . . . . 0.0 112.381 176.625 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 18.3 t-80 -129.27 -49.75 1.19 Allowed 'General case' 0 CA--C 1.557 1.224 0 C-N-CA 128.457 2.703 . . . . 0.0 104.914 177.042 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 mtm -71.9 -51.04 24.15 Favored 'General case' 0 C--N 1.358 0.969 0 N-CA-C 105.291 -2.114 . . . . 0.0 105.291 176.454 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 15.3 m-85 -61.76 -35.03 76.95 Favored 'General case' 0 CA--C 1.559 1.308 0 CA-C-N 120.102 1.319 . . . . 0.0 111.771 176.442 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -64.37 -48.48 75.33 Favored 'General case' 0 N--CA 1.496 1.857 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 176.948 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 25.8 mtp-105 -63.32 -59.1 5.16 Favored 'General case' 0 N--CA 1.484 1.254 0 C-N-CA 124.387 1.075 . . . . 0.0 109.956 177.101 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.0 mt -46.4 -43.73 5.73 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.07 0 C-N-CA 124.955 1.302 . . . . 0.0 112.981 176.99 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -59.14 -25.69 60.25 Favored Glycine 0 CA--C 1.551 2.34 0 N-CA-C 116.617 1.407 . . . . 0.0 116.617 176.881 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.6 mttm -138.16 44.17 2.16 Favored 'General case' 0 CA--C 1.574 1.896 0 C-N-CA 125.311 1.445 . . . . 0.0 111.744 176.621 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 11.2 t70 -132.69 -65.82 0.7 Allowed 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 102.457 -3.164 . . . . 0.0 102.457 177.326 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.328 30.4 m -102.5 48.11 0.12 Allowed 'Isoleucine or valine' 0 CA--C 1.573 1.847 0 CA-C-O 126.751 3.167 . . . . 0.0 111.106 175.809 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.6 t80 -144.29 -49.71 0.28 Allowed 'General case' 0 CA--C 1.554 1.115 1 CA-C-N 107.052 -4.613 . . . . 0.0 102.16 177.129 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 16.0 t70 -74.7 -37.71 62.54 Favored 'General case' 0 CA--C 1.557 1.222 0 CA-C-N 120.049 1.295 . . . . 0.0 109.691 176.437 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 4.2 ttmp? -68.65 -25.75 64.98 Favored 'General case' 0 CA--C 1.577 2.008 0 CA-C-N 120.432 1.469 . . . . 0.0 110.75 176.467 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.251 2.8 m -79.94 -53.01 13.83 Favored 'Isoleucine or valine' 0 C--N 1.366 1.293 0 C-N-CA 124.485 1.114 . . . . 0.0 111.319 177.717 . . . . . . . . 2 2 . 1 . 026 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -60.54 -17.78 48.09 Favored 'General case' 0 CA--C 1.58 2.113 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 177.088 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -86.73 -60.23 2.05 Favored 'General case' 0 C--N 1.356 0.869 0 C-N-CA 125.439 1.496 . . . . 0.0 111.493 177.73 . . . . . . . . 1 1 . 1 . 026 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.767 0 O-C-N 120.395 -1.441 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.234 0.275 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 027 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . 0.258 4.0 mp0 53.08 -150.03 0.37 Allowed 'General case' 0 CA--C 1.567 1.625 0 N-CA-C 115.452 1.649 . . . . 0.0 115.452 . . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 t -49.78 -40.62 42.09 Favored 'General case' 0 N--CA 1.487 1.409 0 N-CA-C 115.404 1.631 . . . . 0.0 115.404 177.862 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -77.89 8.41 4.67 Favored 'General case' 0 N--CA 1.49 1.574 0 N-CA-C 119.789 3.255 . . . . 0.0 119.789 177.267 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -141.87 19.69 2.14 Favored 'General case' 0 CA--C 1.585 2.315 0 C-N-CA 128.44 2.696 . . . . 0.0 111.919 176.35 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 52.2 m170 -127.89 -48.66 1.36 Allowed 'General case' 0 CA--C 1.557 1.245 0 C-N-CA 128.497 2.719 . . . . 0.0 105.142 176.904 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.1 mtt -73.86 -52.14 13.97 Favored 'General case' 0 C--N 1.361 1.077 0 N-CA-C 105.072 -2.196 . . . . 0.0 105.072 176.434 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 18.6 m-85 -60.85 -34.21 74.24 Favored 'General case' 0 CA--C 1.56 1.337 0 CA-C-N 119.942 1.246 . . . . 0.0 111.968 176.491 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -64.96 -49.17 71.35 Favored 'General case' 0 N--CA 1.496 1.834 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.925 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.6 mtp-105 -63.34 -58.65 6.41 Favored 'General case' 0 N--CA 1.484 1.245 0 C-N-CA 123.865 0.866 . . . . 0.0 110.071 177.116 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.8 mt -46.09 -43.71 5.05 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.069 0 C-N-CA 124.885 1.274 . . . . 0.0 113.154 176.981 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.54 -26.59 59.91 Favored Glycine 0 CA--C 1.552 2.397 0 N-CA-C 116.413 1.325 . . . . 0.0 116.413 176.878 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.4 mttp -138.42 45.76 2.05 Favored 'General case' 0 CA--C 1.574 1.866 0 C-N-CA 125.301 1.44 . . . . 0.0 111.635 176.622 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -135.02 -65.45 0.62 Allowed 'General case' 0 N--CA 1.483 1.201 0 N-CA-C 102.39 -3.189 . . . . 0.0 102.39 177.366 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.322 28.8 m -103.4 51.04 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.908 0 CA-C-O 127.035 3.302 . . . . 0.0 110.339 175.772 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 92.7 t80 -148.99 -48.85 0.15 Allowed 'General case' 0 CA--C 1.56 1.36 1 CA-C-N 106.812 -4.722 . . . . 0.0 101.691 177.319 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.2 t70 -70.89 -45.96 63.41 Favored 'General case' 0 CA--C 1.562 1.409 0 CA-C-N 120.278 1.399 . . . . 0.0 108.366 176.457 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 33.1 mmmt -71.83 -16.71 62.17 Favored 'General case' 0 CA--C 1.587 2.395 0 CA-C-N 119.612 1.096 . . . . 0.0 110.987 176.226 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.26 22.9 t -80.27 -54.03 11.61 Favored 'Isoleucine or valine' 0 N--CA 1.487 1.379 0 C-N-CA 125.964 1.706 . . . . 0.0 109.373 177.394 . . . . . . . . 2 2 . 1 . 027 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 55.0 tptt -62.79 -15.77 55.15 Favored 'General case' 0 CA--C 1.58 2.119 0 N-CA-C 113.836 1.05 . . . . 0.0 113.836 176.93 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -81.85 -59.16 2.68 Favored 'General case' 0 C--N 1.356 0.868 0 C-N-CA 125.399 1.479 . . . . 0.0 111.803 177.827 . . . . . . . . 1 1 . 1 . 027 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.74 0 O-C-N 120.501 -1.375 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.231 0.08 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 028 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.6 mp0 -78.93 -154.02 0.07 Allowed 'General case' 0 CA--C 1.568 1.639 0 O-C-N 117.444 -3.285 . . . . 0.0 113.014 . . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.2 t -54.32 -46.37 72.84 Favored 'General case' 0 N--CA 1.492 1.653 0 N-CA-C 114.505 1.298 . . . . 0.0 114.505 179.754 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.22 14.46 1.48 Allowed 'General case' 0 CA--C 1.568 1.67 0 N-CA-C 118.328 2.714 . . . . 0.0 118.328 177.001 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 74.4 tttt -144.99 21.91 1.58 Allowed 'General case' 0 CA--C 1.586 2.338 0 C-N-CA 128.837 2.855 . . . . 0.0 112.093 176.697 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 24.0 t-80 -131.36 -49.4 0.99 Allowed 'General case' 0 CA--C 1.557 1.247 0 C-N-CA 128.775 2.83 . . . . 0.0 105.017 177.03 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.8 mtt -73.5 -52.2 14.44 Favored 'General case' 0 C--N 1.36 1.051 0 N-CA-C 104.802 -2.296 . . . . 0.0 104.802 176.382 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.1 m-85 -61.44 -34.37 75.31 Favored 'General case' 0 CA--C 1.56 1.327 0 CA-C-N 120.061 1.3 . . . . 0.0 111.929 176.445 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.65 -48.97 72.83 Favored 'General case' 0 N--CA 1.495 1.801 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 176.941 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.3 mtt180 -63.77 -58.58 6.41 Favored 'General case' 0 N--CA 1.484 1.233 0 C-N-CA 123.947 0.899 . . . . 0.0 110.012 177.154 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.18 -43.71 5.24 Favored 'Isoleucine or valine' 0 N--CA 1.501 2.087 0 C-N-CA 124.869 1.268 . . . . 0.0 113.129 176.997 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.68 -26.18 59.69 Favored Glycine 0 CA--C 1.551 2.311 0 N-CA-C 116.523 1.369 . . . . 0.0 116.523 176.917 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 64.3 mttp -138.54 45.44 2.05 Favored 'General case' 0 CA--C 1.574 1.869 0 C-N-CA 125.347 1.459 . . . . 0.0 111.625 176.555 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.6 t70 -134.61 -65.24 0.64 Allowed 'General case' 0 N--CA 1.483 1.221 0 N-CA-C 102.495 -3.15 . . . . 0.0 102.495 177.286 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.324 29.2 m -103.58 50.5 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.575 1.915 0 CA-C-O 126.98 3.276 . . . . 0.0 110.38 175.815 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 93.3 t80 -148.26 -49.0 0.16 Allowed 'General case' 0 CA--C 1.561 1.397 1 CA-C-N 106.911 -4.677 . . . . 0.0 101.516 177.256 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 20.3 t70 -70.57 -45.48 65.31 Favored 'General case' 0 CA--C 1.562 1.431 0 CA-C-N 120.43 1.468 . . . . 0.0 108.388 176.404 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 84.2 tttt -70.51 -19.59 62.91 Favored 'General case' 0 CA--C 1.591 2.52 0 CA-C-N 119.397 0.999 . . . . 0.0 110.71 176.193 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.262 24.5 t -79.02 -53.97 12.58 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.34 0 C-N-CA 125.931 1.692 . . . . 0.0 110.28 177.573 . . . . . . . . 2 2 . 1 . 028 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 22.6 tptm -62.47 -16.29 54.57 Favored 'General case' 0 CA--C 1.579 2.072 0 N-CA-C 113.907 1.077 . . . . 0.0 113.907 177.098 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.7 tp10 -84.93 -59.14 2.43 Favored 'General case' 0 C--N 1.356 0.87 0 C-N-CA 125.248 1.419 . . . . 0.0 112.128 177.832 . . . . . . . . 1 1 . 1 . 028 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.318 -0.773 0 O-C-N 120.45 -1.406 . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' B ACE . . . . . . . . . . . . . . . . . . . . 0 C--O 1.23 0.073 . . . . . . . . 0.0 . . . . . . . . . . 0 0 . 1 . 029 nuclear nobuild full ' A' A ' 1' ' ' GLU . . . . . . . . . . . . . 3.9 mp0 -78.85 -154.04 0.07 Allowed 'General case' 0 CA--C 1.568 1.653 0 O-C-N 117.476 -3.265 . . . . 0.0 112.876 . . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.1 t -54.31 -46.24 72.78 Favored 'General case' 0 N--CA 1.491 1.614 0 N-CA-C 114.587 1.328 . . . . 0.0 114.587 179.736 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 3' ' ' ALA . . . . . . . . . . . . . . . -79.24 14.38 1.53 Allowed 'General case' 0 CA--C 1.568 1.66 0 N-CA-C 118.415 2.746 . . . . 0.0 118.415 177.019 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 44.7 tptt -145.12 22.01 1.56 Allowed 'General case' 0 CA--C 1.586 2.357 0 C-N-CA 128.708 2.803 . . . . 0.0 112.051 176.742 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 5' ' ' HIS . . . . . . . . . . . . . 23.8 t-80 -131.39 -49.38 0.99 Allowed 'General case' 0 CA--C 1.558 1.253 0 C-N-CA 128.739 2.816 . . . . 0.0 105.019 176.981 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 6' ' ' MET . . . . . . . . . . . . . 3.7 mtt -73.61 -52.1 14.56 Favored 'General case' 0 C--N 1.359 1.003 0 N-CA-C 104.816 -2.291 . . . . 0.0 104.816 176.398 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 7' ' ' PHE . . . . . . . . . . . . . 19.8 m-85 -61.51 -34.36 75.38 Favored 'General case' 0 CA--C 1.56 1.345 0 CA-C-N 120.111 1.323 . . . . 0.0 111.889 176.424 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 8' ' ' ASP . . . . . . . . . . . . . 14.2 t70 -64.8 -48.92 72.67 Favored 'General case' 0 N--CA 1.495 1.777 0 N-CA-C 109.091 -0.707 . . . . 0.0 109.091 176.977 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 97.2 mtt180 -63.69 -58.47 6.81 Favored 'General case' 0 N--CA 1.483 1.213 0 C-N-CA 123.949 0.9 . . . . 0.0 109.957 177.102 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 10' ' ' ILE . . . . . . . . . . . . . 54.4 mt -46.44 -43.5 5.71 Favored 'Isoleucine or valine' 0 N--CA 1.5 2.058 0 C-N-CA 124.806 1.243 . . . . 0.0 113.033 176.98 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 11' ' ' GLY . . . . . . . . . . . . . . . -58.56 -24.95 57.54 Favored Glycine 0 CA--C 1.553 2.442 0 N-CA-C 116.51 1.364 . . . . 0.0 116.51 176.862 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . 0.257 2.9 ttmp? -142.06 48.8 1.58 Allowed 'General case' 0 CA--C 1.573 1.859 0 C-N-CA 125.215 1.406 . . . . 0.0 111.564 176.58 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -137.84 -65.27 0.52 Allowed 'General case' 0 N--CA 1.483 1.212 0 N-CA-C 102.138 -3.282 . . . . 0.0 102.138 177.292 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 14' ' ' VAL . . . . . . . . . . . . 0.322 29.0 m -103.47 50.01 0.13 Allowed 'Isoleucine or valine' 0 CA--C 1.577 2.005 0 CA-C-O 127.028 3.299 . . . . 0.0 110.431 175.775 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 15' ' ' TYR . . . . . . . . . . . . . 84.3 t80 -148.54 -48.33 0.15 Allowed 'General case' 0 CA--C 1.565 1.555 1 CA-C-N 106.841 -4.709 . . . . 0.0 101.164 177.292 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 16' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -70.33 -45.84 65.38 Favored 'General case' 0 C--N 1.369 1.421 0 CA-C-N 120.887 1.676 . . . . 0.0 108.615 176.384 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 17' ' ' LYS . . . . . . . . . . . . . 39.3 ttmt -70.36 -19.45 63.03 Favored 'General case' 0 CA--C 1.59 2.517 0 CA-C-N 119.417 1.008 . . . . 0.0 110.792 176.237 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . 0.261 31.8 t -79.92 -54.59 10.75 Favored 'Isoleucine or valine' 0 N--CA 1.486 1.328 0 C-N-CA 125.939 1.696 . . . . 0.0 110.713 177.668 . . . . . . . . 2 2 . 1 . 029 nuclear nobuild full ' A' A ' 19' ' ' LYS . . . . . . . . . . . . . 27.5 ttpp -64.21 -13.02 46.17 Favored 'General case' 0 CA--C 1.579 2.06 0 N-CA-C 114.215 1.191 . . . . 0.0 114.215 177.203 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 20' ' ' GLU . . . . . . . . . . . . . 9.5 tp10 -87.12 -59.31 2.29 Favored 'General case' 0 C--N 1.355 0.847 0 C-N-CA 125.334 1.454 . . . . 0.0 111.925 177.789 . . . . . . . . 1 1 . 1 . 029 nuclear nobuild full ' A' A ' 21' ' ' NH2 . . . . . . . . . . . . . . . . . . . . 0 C--N 1.319 -0.751 0 O-C-N 120.454 -1.404 . . . . 0.0 . . . . . . . . . . 0 0 . 1 stop_ save_