data_2lsa_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 2lsa _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.1 tttt . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 121.146 0.498 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -71.63 -12.56 61.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.421 0.629 . . . . 0.0 109.685 174.785 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.59 ' HA ' ' HB2' ' A' ' 9' ' ' ALA . 39.8 tp -72.08 -13.88 61.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.453 -178.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -59.89 -40.91 90.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.531 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.407 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . 24.5 p -106.35 -18.01 14.12 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 177.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.59 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . . . -57.13 -25.94 59.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.9 0.381 . . . . 0.0 110.396 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -126.09 26.13 6.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.177 0.513 . . . . 0.0 110.616 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 8' ' ' SER . 62.7 tttm -127.57 -34.99 2.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.812 175.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -110.02 -47.18 3.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.448 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.419 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -76.4 -1.42 70.23 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.062 -0.59 . . . . 0.0 113.022 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -57.47 -36.02 70.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.0 0.429 . . . . 0.0 111.54 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.21 6.38 48.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.012 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.457 ' O ' HG23 ' A' ' 20' ' ' ILE . 98.9 m-85 -117.2 -57.57 2.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.317 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.6 t -72.76 -26.42 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.445 0.64 . . . . 0.0 109.816 -175.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.12 8.95 75.61 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.836 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -129.08 -70.01 0.68 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.739 0.304 . . . . 0.0 111.495 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 16' ' ' PHE . 10.5 tp -76.91 -14.12 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.249 0.547 . . . . 0.0 111.048 -171.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.3 ttt -74.03 -40.99 62.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.151 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -72.78 -51.79 17.59 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.109 177.181 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 pttt . . . . . 0 CA--C 1.516 -0.356 0 CA-C-O 121.233 0.54 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -66.5 -21.85 66.18 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.212 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.702 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 89.9 mt -77.99 -18.27 56.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.006 -176.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -60.8 -50.58 72.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 109.731 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.5 m -83.19 -19.43 36.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.897 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.702 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -66.01 -14.79 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.252 0.549 . . . . 0.0 109.666 172.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -96.72 -37.62 10.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.545 172.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -73.76 -44.64 55.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 111.388 -174.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -127.52 -23.32 3.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.157 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.434 ' HA3' ' HA ' ' A' ' 9' ' ' ALA . . . -61.92 -42.58 99.75 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.436 -0.888 . . . . 0.0 111.786 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.554 ' HA ' HG11 ' A' ' 17' ' ' VAL . 47.5 mmtm -75.63 -18.38 59.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.988 0.423 . . . . 0.0 110.762 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.56 -45.72 18.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 110.083 176.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.546 ' O ' HG21 ' A' ' 20' ' ' ILE . 75.6 t80 -69.11 -45.91 69.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.654 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.554 HG11 ' HA ' ' A' ' 14' ' ' LYS . 4.7 p -73.35 -11.28 14.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.414 0.626 . . . . 0.0 110.036 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.38 -11.36 85.57 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.386 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -116.93 -45.72 2.76 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 121.191 -0.204 . . . . 0.0 110.792 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.546 HG21 ' O ' ' A' ' 16' ' ' PHE . 10.8 tp -79.3 49.69 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 122.314 1.054 . . . . 0.0 110.802 -177.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 53.8 tpp -139.54 -56.65 0.58 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.518 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -112.65 16.87 19.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.185 0.517 . . . . 0.0 110.262 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.623 -0.703 . . . . 0.0 109.795 178.763 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.4 pttp . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 121.14 0.495 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -78.01 -12.15 59.96 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 171.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.594 ' HA ' ' HB2' ' A' ' 9' ' ' ALA . 63.5 mt -79.07 -9.0 59.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.916 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -67.0 -43.49 82.78 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 20.1 m -84.42 -28.04 27.17 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.821 177.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.594 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . . . -66.3 -11.44 50.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.191 0.519 . . . . 0.0 110.132 174.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -116.66 8.78 13.9 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.617 0.723 . . . . 0.0 109.302 176.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HB2' ' HA ' ' A' ' 8' ' ' SER . 58.4 tttp -81.21 -64.09 1.26 Allowed 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.594 176.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -114.69 -32.21 5.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.167 0.508 . . . . 0.0 109.742 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.98 6.7 55.23 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.547 -0.751 . . . . 0.0 113.02 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -63.51 -27.42 69.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.152 0.501 . . . . 0.0 110.542 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.62 -27.48 25.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.919 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -76.3 -31.32 58.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.325 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.52 -34.4 65.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.332 0.587 . . . . 0.0 109.821 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . 0.617 ' HA2' ' HE1' ' A' ' 21' ' ' MET . . . -79.26 -10.75 85.71 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.447 174.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -93.59 -43.85 8.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.241 0.543 . . . . 0.0 110.255 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 tt -71.87 -28.51 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.946 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.617 ' HE1' ' HA2' ' A' ' 18' ' ' GLY . 24.7 ptt? -80.72 -10.04 59.76 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -175.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -102.51 12.15 36.87 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.355 0.598 . . . . 0.0 110.082 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.5 m . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.633 176.727 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.1 pttt . . . . . 0 CA--C 1.519 -0.23 0 CA-C-O 121.02 0.438 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -72.19 -20.63 61.55 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.337 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.579 ' HB3' ' HE2' ' A' ' 10' ' ' LYS . 3.1 mm? -105.17 8.47 34.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.166 -176.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -88.81 -56.43 3.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.712 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.2 p -85.84 -30.79 22.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.071 -176.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.31 -20.41 59.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.278 0.561 . . . . 0.0 110.175 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.579 ' HE2' ' HB3' ' A' ' 6' ' ' LEU . 65.7 mttm -103.64 -7.48 20.7 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.681 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -101.28 -37.18 8.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.827 0.346 . . . . 0.0 110.697 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -125.55 22.76 7.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.088 0.947 . . . . 0.0 108.978 -174.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.3 -53.63 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.067 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -66.67 -41.84 87.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.975 0.417 . . . . 0.0 110.218 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.34 -25.56 23.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -81.91 -57.97 3.19 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.809 0.338 . . . . 0.0 110.971 -175.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.612 ' HA ' HG12 ' A' ' 20' ' ' ILE . 57.7 t -68.88 -27.03 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.087 0.47 . . . . 0.0 109.824 -177.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.06 -9.48 35.02 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.32 -0.855 . . . . 0.0 113.44 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -108.91 -49.54 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 110.926 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.612 HG12 ' HA ' ' A' ' 17' ' ' VAL . 37.4 pt -63.74 -29.45 47.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -170.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.2 ptt? -82.89 -8.38 59.58 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.466 -176.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -93.04 -21.29 19.82 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.832 0.348 . . . . 0.0 110.441 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.526 -0.75 . . . . 0.0 110.333 -176.479 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? . . . . . 0 CA--C 1.516 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . 0.401 ' O ' ' HB3' ' A' ' 9' ' ' ALA . 63.6 m-85 -77.5 0.48 22.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.894 175.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.558 ' HA ' ' HB2' ' A' ' 9' ' ' ALA . 47.2 tp -85.44 -8.56 58.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.361 176.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -58.95 -54.94 41.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.359 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 m -98.78 -5.46 31.2 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.955 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.558 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . . . -62.11 -26.79 68.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.067 0.46 . . . . 0.0 110.027 175.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -91.1 -30.23 16.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.438 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -110.41 23.58 14.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.451 0.643 . . . . 0.0 110.669 -172.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' A' ' 16' ' ' PHE . 91.8 t80 -161.71 -47.94 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.843 176.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.47 -60.97 6.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.683 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -57.45 -35.37 70.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.108 0.48 . . . . 0.0 111.298 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.85 -42.42 60.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.732 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' A' ' 12' ' ' PHE . 9.9 t80 -67.09 -39.82 86.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.597 -177.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.633 ' HA ' HG12 ' A' ' 20' ' ' ILE . 32.6 m -72.3 -20.64 19.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.055 0.455 . . . . 0.0 110.433 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.89 -18.07 77.34 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.521 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.45 -49.45 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.147 0.499 . . . . 0.0 110.139 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.633 HG12 ' HA ' ' A' ' 17' ' ' VAL . 18.6 pt -70.25 -10.48 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.67 -177.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.1 ttm -63.91 -39.9 95.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.132 0.491 . . . . 0.0 109.748 173.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -105.39 22.0 16.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.563 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' SER . . . . . 0.616 ' HB2' ' HA ' ' A' ' 20' ' ' ILE . 19.7 m . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.602 -0.713 . . . . 0.0 109.955 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . 0.424 ' C ' ' H ' ' A' ' 6' ' ' LEU . 98.3 mttt . . . . . 0 CA--C 1.516 -0.349 0 CA-C-O 120.952 0.406 . . . . 0.0 110.13 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -81.91 19.96 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.378 0.609 . . . . 0.0 109.753 171.581 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' A' ' 4' ' ' LYS . 28.6 tp -121.35 -10.35 8.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.952 174.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -72.97 -72.37 0.25 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.795 -174.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 p -90.05 -22.62 21.76 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.855 0.359 . . . . 0.0 111.274 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.96 -13.53 57.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.158 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 30.3 mmtp -121.15 21.48 11.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.19 174.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -110.08 -61.67 1.62 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 170.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -86.14 -32.17 21.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.178 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.94 -0.51 89.58 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.886 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -60.94 -33.88 73.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.114 0.483 . . . . 0.0 110.122 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.26 26.35 6.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.623 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -140.0 -59.05 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.727 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.689 ' HA ' HG22 ' A' ' 20' ' ' ILE . 44.9 t -71.11 -35.42 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.174 0.512 . . . . 0.0 110.239 -174.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.35 -5.7 50.54 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.846 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -119.35 -30.42 4.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.815 0.308 . . . . 0.0 111.08 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.689 HG22 ' HA ' ' A' ' 17' ' ' VAL . 11.1 tp -69.61 -24.41 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.124 0.488 . . . . 0.0 110.447 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.8 tpt -88.74 36.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.857 0.837 . . . . 0.0 109.785 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -141.26 -61.52 0.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.175 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.6 m . . . . . 0 C--O 1.251 1.168 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.859 176.858 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 CA--C 1.518 -0.28 0 CA-C-O 120.453 0.168 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -69.79 -9.96 56.59 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.324 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.9 tp -71.2 -16.33 62.51 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.389 0.614 . . . . 0.0 110.218 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -73.08 -21.49 60.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.981 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' SER . . . . . 0.411 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . 22.5 m -116.55 -19.38 10.06 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.812 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.02 -25.98 46.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.288 0.566 . . . . 0.0 110.179 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.47 ' C ' ' HB2' ' A' ' 14' ' ' LYS . 15.7 ptpt -122.96 36.89 4.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.41 174.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 8' ' ' SER . 3.6 tppp? -123.92 -41.13 2.25 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.914 170.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . 0.407 ' CD2' ' HB3' ' A' ' 8' ' ' SER . 87.5 m-85 -91.96 -54.48 3.83 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.297 175.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.468 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -77.27 1.08 66.02 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.905 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HB2' ' C ' ' A' ' 10' ' ' LYS . 64.2 tttm -58.52 -40.61 83.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.983 0.42 . . . . 0.0 110.739 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.63 7.81 11.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.754 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.484 ' O ' HG21 ' A' ' 20' ' ' ILE . 98.1 m-85 -117.09 -54.76 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.336 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.402 HG11 ' O ' ' A' ' 13' ' ' GLY . 14.2 p -72.66 -33.05 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 110.134 -174.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.29 6.62 83.33 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -110.75 -57.04 2.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.824 0.345 . . . . 0.0 110.533 -175.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.484 HG21 ' O ' ' A' ' 16' ' ' PHE . 10.8 tt -76.42 -29.99 19.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.461 -176.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.4 mmt -80.88 -25.78 37.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.958 0.408 . . . . 0.0 110.468 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -131.44 78.48 1.83 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.375 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 C--O 1.252 1.189 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.436 178.294 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.1 pttp . . . . . 0 CA--C 1.518 -0.255 0 CA-C-O 121.262 0.553 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -83.14 -8.9 59.44 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 174.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.408 ' HA ' ' HB2' ' A' ' 9' ' ' ALA . 31.4 tp -82.35 -8.68 59.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.103 -172.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -65.74 -59.83 3.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.779 0.324 . . . . 0.0 110.412 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.9 m -87.1 -16.43 35.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.566 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.408 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . . . -67.49 -18.93 65.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 0.0 109.235 171.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.444 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 33.5 ttpt -100.92 3.64 41.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.546 177.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -92.44 -48.77 6.47 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -103.94 -46.14 4.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.22 0.533 . . . . 0.0 110.205 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.669 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -76.11 0.61 62.46 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.487 -175.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 26.2 pttm -61.15 -29.45 69.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.935 0.367 . . . . 0.0 111.024 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.66 -30.78 66.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.433 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.669 ' HD2' ' HA2' ' A' ' 13' ' ' GLY . 90.9 m-85 -83.25 -50.62 8.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.686 -178.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.454 ' O ' ' HG2' ' A' ' 21' ' ' MET . 34.0 m -69.12 -24.75 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-O 120.925 0.393 . . . . 0.0 110.464 -176.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.17 -16.16 66.37 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.079 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -103.07 -34.77 8.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.813 0.339 . . . . 0.0 110.147 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 16' ' ' PHE . 71.9 mt -60.25 -44.6 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.77 179.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.6 ptm -84.28 8.35 16.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.193 0.521 . . . . 0.0 110.564 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -106.27 -23.51 12.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.115 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.75 -0.643 . . . . 0.0 110.513 -175.777 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 120.809 0.338 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -89.83 1.8 55.73 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 170.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.779 ' HA ' ' HB2' ' A' ' 9' ' ' ALA . 36.6 tp -72.49 -11.74 60.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.631 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -62.39 -52.29 64.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.03 0.443 . . . . 0.0 109.818 177.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 m -83.58 -22.11 32.42 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.489 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.779 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . . . -68.34 -8.34 39.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.142 0.496 . . . . 0.0 110.322 175.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -112.48 -14.92 13.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.569 172.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -84.91 -55.62 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -105.87 -36.34 7.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.477 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.771 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -73.57 -4.84 66.51 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.159 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.494 ' HA ' HG11 ' A' ' 17' ' ' VAL . 64.2 tttm -59.94 -30.23 68.93 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 117.178 0.489 . . . . 0.0 110.43 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.12 -11.6 60.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.771 ' HD2' ' HA2' ' A' ' 13' ' ' GLY . 87.3 m-85 -103.87 -47.58 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.596 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.494 HG11 ' HA ' ' A' ' 14' ' ' LYS . 13.2 p -68.96 -32.75 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.21 16.29 34.52 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.479 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . 0.477 ' HA ' ' ND2' ' A' ' 22' ' ' ASN . 9.5 tp10 -122.15 -43.5 2.32 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.2 mt -63.65 -35.5 73.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.464 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.9 mtp -71.88 -8.74 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.513 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.477 ' ND2' ' HA ' ' A' ' 19' ' ' GLU . 78.7 m-20 -82.2 -12.37 58.16 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.709 -0.662 . . . . 0.0 109.792 -178.883 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 CA--C 1.515 -0.399 0 CA-C-O 120.798 0.332 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -68.49 -19.94 64.57 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 171.159 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' LEU . . . . . 0.419 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 3.3 mm? -83.72 -15.89 46.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.042 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -77.3 -33.38 55.66 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -84.63 -29.62 25.59 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.482 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -63.69 -15.78 59.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 169.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' LYS . . . . . 0.545 ' HA ' ' HB3' ' A' ' 14' ' ' LYS . 50.4 mttp -113.67 16.3 18.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.749 172.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -102.34 -51.49 3.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 110.155 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -123.56 -4.15 8.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.147 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' GLY . . . . . 0.547 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -125.7 13.09 7.31 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.855 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LYS . . . . . 0.545 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 14.2 ptmm? -64.25 -30.46 71.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.778 0.323 . . . . 0.0 110.209 -177.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.89 -21.72 60.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.633 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' PHE . . . . . 0.547 ' HD2' ' HA2' ' A' ' 13' ' ' GLY . 98.4 m-85 -90.25 -44.63 9.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.793 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' A' ' 14' ' ' LYS . 32.8 m -71.14 -23.11 23.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.985 0.421 . . . . 0.0 110.519 -178.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.32 -6.38 75.14 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.477 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -123.67 -61.76 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.786 0.327 . . . . 0.0 110.568 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.12 -45.11 99.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.249 -177.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.2 mmt -105.57 42.94 1.17 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.755 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -150.45 -52.27 0.14 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.771 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.734 -0.65 . . . . 0.0 110.064 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.807 ' HA3' ' HB2' ' A' ' 5' ' ' PHE . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 112.093 -0.403 . . . . 0.0 112.093 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.8 tt -129.57 -20.4 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.884 0.373 . . . . 0.0 110.764 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.77 -72.77 0.72 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.789 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -137.11 -6.03 1.85 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.146 0.498 . . . . 0.0 110.192 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.807 ' HB2' ' HA3' ' A' ' 1' ' ' GLY . 97.8 m-85 -71.63 -12.56 61.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.421 0.629 . . . . 0.0 109.685 174.785 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.59 ' HA ' ' HB2' ' A' ' 9' ' ' ALA . 39.8 tp -72.08 -13.88 61.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.453 -178.737 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -59.89 -40.91 90.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.531 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.407 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . 24.5 p -106.35 -18.01 14.12 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 177.186 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.59 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . . . -57.13 -25.94 59.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.9 0.381 . . . . 0.0 110.396 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -126.09 26.13 6.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.177 0.513 . . . . 0.0 110.616 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.407 ' HB3' ' HA ' ' A' ' 8' ' ' SER . 62.7 tttm -127.57 -34.99 2.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.812 175.61 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -110.02 -47.18 3.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.448 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.419 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -76.4 -1.42 70.23 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.062 -0.59 . . . . 0.0 113.022 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -57.47 -36.02 70.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.0 0.429 . . . . 0.0 111.54 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.21 6.38 48.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.012 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.457 ' O ' HG23 ' A' ' 20' ' ' ILE . 98.9 m-85 -117.2 -57.57 2.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.317 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.6 t -72.76 -26.42 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.445 0.64 . . . . 0.0 109.816 -175.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.12 8.95 75.61 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.836 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -129.08 -70.01 0.68 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.739 0.304 . . . . 0.0 111.495 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.457 HG23 ' O ' ' A' ' 16' ' ' PHE . 10.5 tp -76.91 -14.12 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.249 0.547 . . . . 0.0 111.048 -171.622 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 21.3 ttt -74.03 -40.99 62.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.151 175.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -72.78 -51.79 17.59 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.109 177.181 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.783 ' HA3' ' HB2' ' A' ' 5' ' ' PHE . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 112.287 -0.325 . . . . 0.0 112.287 . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.8 mt 69.33 131.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 121.278 0.561 . . . . 0.0 111.269 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.57 -70.89 1.9 Allowed Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.938 -0.574 . . . . 0.0 113.191 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -93.79 -12.89 28.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.233 0.54 . . . . 0.0 110.306 -174.338 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.783 ' HB2' ' HA3' ' A' ' 1' ' ' GLY . 91.2 t80 -66.5 -21.85 66.18 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.212 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.702 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 89.9 mt -77.99 -18.27 56.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.006 -176.581 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -60.8 -50.58 72.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 109.731 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.5 m -83.19 -19.43 36.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.897 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.702 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -66.01 -14.79 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.252 0.549 . . . . 0.0 109.666 172.621 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -96.72 -37.62 10.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.545 172.197 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -73.76 -44.64 55.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 111.388 -174.147 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -127.52 -23.32 3.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.157 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.434 ' HA3' ' HA ' ' A' ' 9' ' ' ALA . . . -61.92 -42.58 99.75 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.436 -0.888 . . . . 0.0 111.786 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.554 ' HA ' HG11 ' A' ' 17' ' ' VAL . 47.5 mmtm -75.63 -18.38 59.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.988 0.423 . . . . 0.0 110.762 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.56 -45.72 18.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 110.083 176.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.546 ' O ' HG21 ' A' ' 20' ' ' ILE . 75.6 t80 -69.11 -45.91 69.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.654 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.554 HG11 ' HA ' ' A' ' 14' ' ' LYS . 4.7 p -73.35 -11.28 14.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.414 0.626 . . . . 0.0 110.036 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.38 -11.36 85.57 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.386 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -116.93 -45.72 2.76 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 121.191 -0.204 . . . . 0.0 110.792 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.546 HG21 ' O ' ' A' ' 16' ' ' PHE . 10.8 tp -79.3 49.69 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 122.314 1.054 . . . . 0.0 110.802 -177.833 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 53.8 tpp -139.54 -56.65 0.58 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.518 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -112.65 16.87 19.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.185 0.517 . . . . 0.0 110.262 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.623 -0.703 . . . . 0.0 109.795 178.763 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.513 ' O ' ' HB ' ' A' ' 2' ' ' ILE . . . . . . . . 0 N--CA 1.484 1.862 0 N-CA-C 112.283 -0.327 . . . . 0.0 112.283 . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.513 ' HB ' ' O ' ' A' ' 1' ' ' GLY . 1.8 mp 70.89 147.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-O 121.095 0.474 . . . . 0.0 110.085 -174.003 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.29 -81.24 1.75 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.716 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -104.1 -15.04 15.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.14 0.495 . . . . 0.0 110.804 -177.351 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -78.01 -12.15 59.96 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 171.762 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.594 ' HA ' ' HB2' ' A' ' 9' ' ' ALA . 63.5 mt -79.07 -9.0 59.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.916 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -67.0 -43.49 82.78 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.566 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.403 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 20.1 m -84.42 -28.04 27.17 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.821 177.978 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.594 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . . . -66.3 -11.44 50.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.191 0.519 . . . . 0.0 110.132 174.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -116.66 8.78 13.9 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.617 0.723 . . . . 0.0 109.302 176.332 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.403 ' HB2' ' HA ' ' A' ' 8' ' ' SER . 58.4 tttp -81.21 -64.09 1.26 Allowed 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.594 176.649 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -114.69 -32.21 5.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.167 0.508 . . . . 0.0 109.742 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.98 6.7 55.23 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.547 -0.751 . . . . 0.0 113.02 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -63.51 -27.42 69.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.152 0.501 . . . . 0.0 110.542 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.62 -27.48 25.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.919 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -76.3 -31.32 58.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.325 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.52 -34.4 65.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.332 0.587 . . . . 0.0 109.821 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . 0.617 ' HA2' ' HE1' ' A' ' 21' ' ' MET . . . -79.26 -10.75 85.71 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.447 174.916 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -93.59 -43.85 8.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.241 0.543 . . . . 0.0 110.255 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 tt -71.87 -28.51 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.946 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.617 ' HE1' ' HA2' ' A' ' 18' ' ' GLY . 24.7 ptt? -80.72 -10.04 59.76 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -175.144 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -102.51 12.15 36.87 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.355 0.598 . . . . 0.0 110.082 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.5 m . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.633 176.727 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.5 pt -132.66 -40.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.703 0.287 . . . . 0.0 111.435 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.21 4.38 86.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.609 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -145.29 -1.9 0.8 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.02 0.438 . . . . 0.0 110.522 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -72.19 -20.63 61.55 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.337 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.579 ' HB3' ' HE2' ' A' ' 10' ' ' LYS . 3.1 mm? -105.17 8.47 34.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.166 -176.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -88.81 -56.43 3.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.712 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.2 p -85.84 -30.79 22.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.071 -176.571 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.31 -20.41 59.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.278 0.561 . . . . 0.0 110.175 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.579 ' HE2' ' HB3' ' A' ' 6' ' ' LEU . 65.7 mttm -103.64 -7.48 20.7 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.681 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -101.28 -37.18 8.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.827 0.346 . . . . 0.0 110.697 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -125.55 22.76 7.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.088 0.947 . . . . 0.0 108.978 -174.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.3 -53.63 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.067 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -66.67 -41.84 87.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.975 0.417 . . . . 0.0 110.218 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.34 -25.56 23.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -81.91 -57.97 3.19 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.809 0.338 . . . . 0.0 110.971 -175.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.612 ' HA ' HG12 ' A' ' 20' ' ' ILE . 57.7 t -68.88 -27.03 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.087 0.47 . . . . 0.0 109.824 -177.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.06 -9.48 35.02 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.32 -0.855 . . . . 0.0 113.44 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -108.91 -49.54 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 110.926 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.612 HG12 ' HA ' ' A' ' 17' ' ' VAL . 37.4 pt -63.74 -29.45 47.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -170.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.2 ptt? -82.89 -8.38 59.58 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.466 -176.482 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -93.04 -21.29 19.82 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.832 0.348 . . . . 0.0 110.441 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.526 -0.75 . . . . 0.0 110.333 -176.479 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.405 ' HA2' ' CD1' ' A' ' 5' ' ' PHE . . . . . . . . 0 N--CA 1.481 1.674 0 N-CA-C 112.031 -0.428 . . . . 0.0 112.031 . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.493 HG23 ' N ' ' A' ' 3' ' ' GLY . 36.4 mt 66.45 167.14 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -174.431 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.493 ' N ' HG23 ' A' ' 2' ' ' ILE . . . 76.89 -76.82 1.55 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.821 178.333 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -98.29 -20.56 17.14 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.282 -175.238 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.405 ' CD1' ' HA2' ' A' ' 1' ' ' GLY . 63.6 m-85 -77.5 0.48 22.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.894 175.273 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.558 ' HA ' ' HB2' ' A' ' 9' ' ' ALA . 47.2 tp -85.44 -8.56 58.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.361 176.353 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -58.95 -54.94 41.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.359 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 19.6 m -98.78 -5.46 31.2 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.955 178.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.558 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . . . -62.11 -26.79 68.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.067 0.46 . . . . 0.0 110.027 175.598 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -91.1 -30.23 16.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.438 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -110.41 23.58 14.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.451 0.643 . . . . 0.0 110.669 -172.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.488 ' O ' ' HB2' ' A' ' 16' ' ' PHE . 91.8 t80 -161.71 -47.94 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.843 176.464 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.47 -60.97 6.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.683 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -57.45 -35.37 70.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.108 0.48 . . . . 0.0 111.298 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.85 -42.42 60.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.732 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.488 ' HB2' ' O ' ' A' ' 12' ' ' PHE . 9.9 t80 -67.09 -39.82 86.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.597 -177.515 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.633 ' HA ' HG12 ' A' ' 20' ' ' ILE . 32.6 m -72.3 -20.64 19.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.055 0.455 . . . . 0.0 110.433 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.89 -18.07 77.34 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.521 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.45 -49.45 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.147 0.499 . . . . 0.0 110.139 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.633 HG12 ' HA ' ' A' ' 17' ' ' VAL . 18.6 pt -70.25 -10.48 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.67 -177.545 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.1 ttm -63.91 -39.9 95.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.132 0.491 . . . . 0.0 109.748 173.334 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -105.39 22.0 16.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.563 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.616 ' HB2' ' HA ' ' A' ' 20' ' ' ILE . 19.7 m . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.602 -0.713 . . . . 0.0 109.955 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.92 ' HA3' ' HB2' ' A' ' 5' ' ' PHE . . . . . . . . 0 N--CA 1.484 1.875 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.2 mt -101.89 -70.25 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.936 0.398 . . . . 0.0 110.249 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -131.71 -29.87 0.56 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.567 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . 0.424 ' C ' ' H ' ' A' ' 6' ' ' LEU . 98.3 mttt -81.65 -40.61 22.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.952 0.406 . . . . 0.0 110.13 -178.274 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.92 ' HB2' ' HA3' ' A' ' 1' ' ' GLY . 80.5 m-85 -81.91 19.96 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.378 0.609 . . . . 0.0 109.753 171.581 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.424 ' H ' ' C ' ' A' ' 4' ' ' LYS . 28.6 tp -121.35 -10.35 8.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.952 174.324 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -72.97 -72.37 0.25 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.795 -174.423 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 p -90.05 -22.62 21.76 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.855 0.359 . . . . 0.0 111.274 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.96 -13.53 57.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.158 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.411 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 30.3 mmtp -121.15 21.48 11.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.19 174.796 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -110.08 -61.67 1.62 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 170.398 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -86.14 -32.17 21.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.178 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.94 -0.51 89.58 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.886 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -60.94 -33.88 73.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.114 0.483 . . . . 0.0 110.122 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.26 26.35 6.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.623 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -140.0 -59.05 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.727 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.689 ' HA ' HG22 ' A' ' 20' ' ' ILE . 44.9 t -71.11 -35.42 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.174 0.512 . . . . 0.0 110.239 -174.682 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.35 -5.7 50.54 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.846 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -119.35 -30.42 4.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.815 0.308 . . . . 0.0 111.08 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.689 HG22 ' HA ' ' A' ' 17' ' ' VAL . 11.1 tp -69.61 -24.41 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.124 0.488 . . . . 0.0 110.447 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.8 tpt -88.74 36.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.857 0.837 . . . . 0.0 109.785 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -141.26 -61.52 0.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.175 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.6 m . . . . . 0 C--O 1.251 1.168 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.859 176.858 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.905 ' HA3' ' HB3' ' A' ' 5' ' ' PHE . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 111.869 -0.493 . . . . 0.0 111.869 . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.5 tp -136.25 -22.64 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.083 0.468 . . . . 0.0 111.409 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.36 -65.75 1.36 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.263 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -123.54 -21.7 5.2 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.428 -176.113 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.905 ' HB3' ' HA3' ' A' ' 1' ' ' GLY . 68.4 t80 -69.79 -9.96 56.59 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.324 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.9 tp -71.2 -16.33 62.51 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.389 0.614 . . . . 0.0 110.218 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -73.08 -21.49 60.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.981 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' SER . . . . . 0.411 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . 22.5 m -116.55 -19.38 10.06 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.812 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.02 -25.98 46.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.288 0.566 . . . . 0.0 110.179 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.47 ' C ' ' HB2' ' A' ' 14' ' ' LYS . 15.7 ptpt -122.96 36.89 4.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.41 174.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . 0.411 ' HB3' ' HA ' ' A' ' 8' ' ' SER . 3.6 tppp? -123.92 -41.13 2.25 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.914 170.699 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . 0.407 ' CD2' ' HB3' ' A' ' 8' ' ' SER . 87.5 m-85 -91.96 -54.48 3.83 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.297 175.321 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.468 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -77.27 1.08 66.02 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.905 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.47 ' HB2' ' C ' ' A' ' 10' ' ' LYS . 64.2 tttm -58.52 -40.61 83.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.983 0.42 . . . . 0.0 110.739 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.63 7.81 11.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.754 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.484 ' O ' HG21 ' A' ' 20' ' ' ILE . 98.1 m-85 -117.09 -54.76 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.336 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.402 HG11 ' O ' ' A' ' 13' ' ' GLY . 14.2 p -72.66 -33.05 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 110.134 -174.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.29 6.62 83.33 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -110.75 -57.04 2.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.824 0.345 . . . . 0.0 110.533 -175.811 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.484 HG21 ' O ' ' A' ' 16' ' ' PHE . 10.8 tt -76.42 -29.99 19.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.461 -176.096 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.4 mmt -80.88 -25.78 37.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.958 0.408 . . . . 0.0 110.468 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -131.44 78.48 1.83 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.375 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 C--O 1.252 1.189 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.436 178.294 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.817 0 N-CA-C 112.646 -0.182 . . . . 0.0 112.646 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . 0.889 HG13 ' H ' ' A' ' 3' ' ' GLY . 10.5 tp -98.75 -151.62 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 174.324 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . 0.889 ' H ' HG13 ' A' ' 2' ' ' ILE . . . -59.74 -10.08 11.88 Favored Glycine 0 CA--C 1.526 0.739 0 CA-C-N 118.515 0.598 . . . . 0.0 114.556 -176.529 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -89.12 -19.97 24.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 118.173 0.986 . . . . 0.0 110.197 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -83.14 -8.9 59.44 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 174.318 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.408 ' HA ' ' HB2' ' A' ' 9' ' ' ALA . 31.4 tp -82.35 -8.68 59.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.103 -172.452 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -65.74 -59.83 3.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.779 0.324 . . . . 0.0 110.412 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.9 m -87.1 -16.43 35.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.566 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.408 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . . . -67.49 -18.93 65.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 0.0 109.235 171.707 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.444 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 33.5 ttpt -100.92 3.64 41.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.546 177.73 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -92.44 -48.77 6.47 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -103.94 -46.14 4.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.22 0.533 . . . . 0.0 110.205 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.669 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -76.11 0.61 62.46 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.487 -175.267 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.444 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 26.2 pttm -61.15 -29.45 69.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.935 0.367 . . . . 0.0 111.024 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.66 -30.78 66.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.433 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.669 ' HD2' ' HA2' ' A' ' 13' ' ' GLY . 90.9 m-85 -83.25 -50.62 8.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.686 -178.146 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.454 ' O ' ' HG2' ' A' ' 21' ' ' MET . 34.0 m -69.12 -24.75 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-O 120.925 0.393 . . . . 0.0 110.464 -176.987 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.17 -16.16 66.37 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.079 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -103.07 -34.77 8.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.813 0.339 . . . . 0.0 110.147 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 16' ' ' PHE . 71.9 mt -60.25 -44.6 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.77 179.005 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.454 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.6 ptm -84.28 8.35 16.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.193 0.521 . . . . 0.0 110.564 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -106.27 -23.51 12.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.115 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.75 -0.643 . . . . 0.0 110.513 -175.777 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 112.327 -0.309 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 48.6 mm -124.55 -44.36 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.828 0.347 . . . . 0.0 110.49 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -138.28 6.05 3.31 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.158 -1.02 . . . . 0.0 113.114 -177.69 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -94.19 -15.21 24.81 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.229 -0.571 . . . . 0.0 111.012 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -89.83 1.8 55.73 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 170.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.779 ' HA ' ' HB2' ' A' ' 9' ' ' ALA . 36.6 tp -72.49 -11.74 60.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.631 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -62.39 -52.29 64.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.03 0.443 . . . . 0.0 109.818 177.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 m -83.58 -22.11 32.42 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.489 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.779 ' HB2' ' HA ' ' A' ' 6' ' ' LEU . . . -68.34 -8.34 39.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.142 0.496 . . . . 0.0 110.322 175.164 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 61.3 mtpt -112.48 -14.92 13.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.569 172.782 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -84.91 -55.62 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -105.87 -36.34 7.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.477 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.771 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -73.57 -4.84 66.51 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.159 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.494 ' HA ' HG11 ' A' ' 17' ' ' VAL . 64.2 tttm -59.94 -30.23 68.93 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 117.178 0.489 . . . . 0.0 110.43 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.12 -11.6 60.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.771 ' HD2' ' HA2' ' A' ' 13' ' ' GLY . 87.3 m-85 -103.87 -47.58 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.596 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.494 HG11 ' HA ' ' A' ' 14' ' ' LYS . 13.2 p -68.96 -32.75 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.21 16.29 34.52 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.479 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . 0.477 ' HA ' ' ND2' ' A' ' 22' ' ' ASN . 9.5 tp10 -122.15 -43.5 2.32 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.229 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.2 mt -63.65 -35.5 73.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.464 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.9 mtp -71.88 -8.74 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.513 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.477 ' ND2' ' HA ' ' A' ' 19' ' ' GLU . 78.7 m-20 -82.2 -12.37 58.16 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.832 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.709 -0.662 . . . . 0.0 109.792 -178.883 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . 0.662 ' HA2' ' HB2' ' A' ' 5' ' ' PHE . . . . . . . . 0 N--CA 1.478 1.496 0 N-CA-C 111.906 -0.477 . . . . 0.0 111.906 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.9 mt 68.65 140.19 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.312 0.577 . . . . 0.0 111.126 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.02 -76.21 2.07 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.081 -0.58 . . . . 0.0 113.249 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -114.17 -7.81 13.0 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 120.798 0.332 . . . . 0.0 111.224 -170.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' PHE . . . . . 0.662 ' HB2' ' HA2' ' A' ' 1' ' ' GLY . 89.3 t80 -68.49 -19.94 64.57 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 171.159 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' LEU . . . . . 0.419 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 3.3 mm? -83.72 -15.89 46.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.042 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -77.3 -33.38 55.66 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -84.63 -29.62 25.59 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.482 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ALA . . . . . 0.419 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -63.69 -15.78 59.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 169.773 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' LYS . . . . . 0.545 ' HA ' ' HB3' ' A' ' 14' ' ' LYS . 50.4 mttp -113.67 16.3 18.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.749 172.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -102.34 -51.49 3.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 110.155 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -123.56 -4.15 8.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.147 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' GLY . . . . . 0.547 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -125.7 13.09 7.31 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.855 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LYS . . . . . 0.545 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 14.2 ptmm? -64.25 -30.46 71.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.778 0.323 . . . . 0.0 110.209 -177.401 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.89 -21.72 60.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.633 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' PHE . . . . . 0.547 ' HD2' ' HA2' ' A' ' 13' ' ' GLY . 98.4 m-85 -90.25 -44.63 9.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.793 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.523 HG23 ' HA ' ' A' ' 14' ' ' LYS . 32.8 m -71.14 -23.11 23.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.985 0.421 . . . . 0.0 110.519 -178.2 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.32 -6.38 75.14 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.477 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -123.67 -61.76 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.786 0.327 . . . . 0.0 110.568 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.12 -45.11 99.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.249 -177.029 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.2 mmt -105.57 42.94 1.17 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.755 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -150.45 -52.27 0.14 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.771 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.734 -0.65 . . . . 0.0 110.064 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.1 tttt . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 121.146 0.498 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -71.63 -12.56 61.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.421 0.629 . . . . 0.0 109.685 174.785 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.637 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 39.8 tp -72.08 -13.88 61.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.453 -178.737 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -59.89 -40.91 90.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.531 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.443 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . 24.5 p -106.35 -18.01 14.12 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 177.186 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.637 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -57.13 -25.94 59.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.9 0.381 . . . . 0.0 110.396 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -126.09 26.13 6.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.177 0.513 . . . . 0.0 110.616 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HB3' ' HA ' ' A' ' 8' ' ' SER . 62.7 tttm -127.57 -34.99 2.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.812 175.61 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -110.02 -47.18 3.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.448 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.414 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -76.4 -1.42 70.23 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.062 -0.59 . . . . 0.0 113.022 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -57.47 -36.02 70.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.0 0.429 . . . . 0.0 111.54 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.21 6.38 48.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.012 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.461 ' O ' HG22 ' A' ' 20' ' ' ILE . 98.9 m-85 -117.2 -57.57 2.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.317 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.407 ' O ' ' HB3' ' A' ' 21' ' ' MET . 40.6 t -72.76 -26.42 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.445 0.64 . . . . 0.0 109.816 -175.707 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.12 8.95 75.61 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.836 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -129.08 -70.01 0.68 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.739 0.304 . . . . 0.0 111.495 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 16' ' ' PHE . 10.5 tp -76.91 -14.12 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.249 0.547 . . . . 0.0 111.048 -171.622 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.407 ' HB3' ' O ' ' A' ' 17' ' ' VAL . 21.3 ttt -74.03 -40.99 62.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.151 175.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -72.78 -51.79 17.59 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.109 177.181 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 pttt . . . . . 0 CA--C 1.516 -0.356 0 CA-C-O 121.233 0.54 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -66.5 -21.85 66.18 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.212 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.75 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 89.9 mt -77.99 -18.27 56.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.006 -176.581 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -60.8 -50.58 72.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 109.731 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.5 m -83.19 -19.43 36.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.897 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.75 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -66.01 -14.79 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.252 0.549 . . . . 0.0 109.666 172.621 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -96.72 -37.62 10.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.545 172.197 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -73.76 -44.64 55.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 111.388 -174.147 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -127.52 -23.32 3.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.157 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.449 ' HA3' ' HA ' ' A' ' 9' ' ' ALA . . . -61.92 -42.58 99.75 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.436 -0.888 . . . . 0.0 111.786 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.566 ' HA ' HG12 ' A' ' 17' ' ' VAL . 47.5 mmtm -75.63 -18.38 59.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.988 0.423 . . . . 0.0 110.762 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.56 -45.72 18.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 110.083 176.845 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.55 ' O ' HG22 ' A' ' 20' ' ' ILE . 75.6 t80 -69.11 -45.91 69.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.654 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.566 HG12 ' HA ' ' A' ' 14' ' ' LYS . 4.7 p -73.35 -11.28 14.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.414 0.626 . . . . 0.0 110.036 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.38 -11.36 85.57 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.386 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -116.93 -45.72 2.76 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 121.191 -0.204 . . . . 0.0 110.792 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 16' ' ' PHE . 10.8 tp -79.3 49.69 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 122.314 1.054 . . . . 0.0 110.802 -177.833 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 53.8 tpp -139.54 -56.65 0.58 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.518 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -112.65 16.87 19.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.185 0.517 . . . . 0.0 110.262 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.623 -0.703 . . . . 0.0 109.795 178.763 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.4 pttp . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 121.14 0.495 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -78.01 -12.15 59.96 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 171.762 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.621 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 63.5 mt -79.07 -9.0 59.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.916 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -67.0 -43.49 82.78 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.566 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.434 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 20.1 m -84.42 -28.04 27.17 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.821 177.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -66.3 -11.44 50.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.191 0.519 . . . . 0.0 110.132 174.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -116.66 8.78 13.9 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.617 0.723 . . . . 0.0 109.302 176.332 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 8' ' ' SER . 58.4 tttp -81.21 -64.09 1.26 Allowed 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.594 176.649 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -114.69 -32.21 5.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.167 0.508 . . . . 0.0 109.742 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.98 6.7 55.23 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.547 -0.751 . . . . 0.0 113.02 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -63.51 -27.42 69.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.152 0.501 . . . . 0.0 110.542 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.62 -27.48 25.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.919 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -76.3 -31.32 58.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.325 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.52 -34.4 65.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.332 0.587 . . . . 0.0 109.821 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.26 -10.75 85.71 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.447 174.916 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -93.59 -43.85 8.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.241 0.543 . . . . 0.0 110.255 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 tt -71.87 -28.51 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.946 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -80.72 -10.04 59.76 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -175.144 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -102.51 12.15 36.87 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.355 0.598 . . . . 0.0 110.082 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.5 m . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.633 176.727 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.1 pttt . . . . . 0 CA--C 1.519 -0.23 0 CA-C-O 121.02 0.438 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -72.19 -20.63 61.55 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.337 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.594 ' HB3' ' HE2' ' A' ' 10' ' ' LYS . 3.1 mm? -105.17 8.47 34.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.166 -176.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -88.81 -56.43 3.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.712 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.2 p -85.84 -30.79 22.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.071 -176.571 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.31 -20.41 59.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.278 0.561 . . . . 0.0 110.175 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.594 ' HE2' ' HB3' ' A' ' 6' ' ' LEU . 65.7 mttm -103.64 -7.48 20.7 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.681 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -101.28 -37.18 8.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.827 0.346 . . . . 0.0 110.697 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -125.55 22.76 7.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.088 0.947 . . . . 0.0 108.978 -174.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.3 -53.63 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.067 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -66.67 -41.84 87.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.975 0.417 . . . . 0.0 110.218 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.34 -25.56 23.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -81.91 -57.97 3.19 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.809 0.338 . . . . 0.0 110.971 -175.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.602 ' HA ' HG12 ' A' ' 20' ' ' ILE . 57.7 t -68.88 -27.03 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.087 0.47 . . . . 0.0 109.824 -177.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.06 -9.48 35.02 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.32 -0.855 . . . . 0.0 113.44 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -108.91 -49.54 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 110.926 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.602 HG12 ' HA ' ' A' ' 17' ' ' VAL . 37.4 pt -63.74 -29.45 47.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -170.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.2 ptt? -82.89 -8.38 59.58 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.466 -176.482 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -93.04 -21.29 19.82 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.832 0.348 . . . . 0.0 110.441 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.526 -0.75 . . . . 0.0 110.333 -176.479 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? . . . . . 0 CA--C 1.516 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -77.5 0.48 22.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.894 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.635 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 47.2 tp -85.44 -8.56 58.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.361 176.353 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -58.95 -54.94 41.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.359 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 19.6 m -98.78 -5.46 31.2 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.955 178.457 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.635 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -62.11 -26.79 68.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.067 0.46 . . . . 0.0 110.027 175.598 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -91.1 -30.23 16.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.438 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -110.41 23.58 14.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.451 0.643 . . . . 0.0 110.669 -172.923 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.513 ' O ' ' HB2' ' A' ' 16' ' ' PHE . 91.8 t80 -161.71 -47.94 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.843 176.464 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.47 -60.97 6.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.683 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -57.45 -35.37 70.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.108 0.48 . . . . 0.0 111.298 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.85 -42.42 60.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.732 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.513 ' HB2' ' O ' ' A' ' 12' ' ' PHE . 9.9 t80 -67.09 -39.82 86.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.597 -177.515 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.642 ' HA ' HG12 ' A' ' 20' ' ' ILE . 32.6 m -72.3 -20.64 19.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.055 0.455 . . . . 0.0 110.433 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.89 -18.07 77.34 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.521 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.45 -49.45 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.147 0.499 . . . . 0.0 110.139 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.642 HG12 ' HA ' ' A' ' 17' ' ' VAL . 18.6 pt -70.25 -10.48 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.67 -177.545 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.1 ttm -63.91 -39.9 95.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.132 0.491 . . . . 0.0 109.748 173.334 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -105.39 22.0 16.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.563 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' SER . . . . . 0.63 ' HB2' ' HA ' ' A' ' 20' ' ' ILE . 19.7 m . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.602 -0.713 . . . . 0.0 109.955 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 CA--C 1.516 -0.349 0 CA-C-O 120.952 0.406 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -81.91 19.96 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.378 0.609 . . . . 0.0 109.753 171.581 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.6 tp -121.35 -10.35 8.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.952 174.324 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -72.97 -72.37 0.25 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.795 -174.423 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 p -90.05 -22.62 21.76 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.855 0.359 . . . . 0.0 111.274 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.96 -13.53 57.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.158 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 30.3 mmtp -121.15 21.48 11.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.19 174.796 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -110.08 -61.67 1.62 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 170.398 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -86.14 -32.17 21.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.178 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.94 -0.51 89.58 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.886 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -60.94 -33.88 73.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.114 0.483 . . . . 0.0 110.122 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.26 26.35 6.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.623 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -140.0 -59.05 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.727 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.666 ' HA ' HG22 ' A' ' 20' ' ' ILE . 44.9 t -71.11 -35.42 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.174 0.512 . . . . 0.0 110.239 -174.682 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.35 -5.7 50.54 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.846 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -119.35 -30.42 4.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.815 0.308 . . . . 0.0 111.08 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.666 HG22 ' HA ' ' A' ' 17' ' ' VAL . 11.1 tp -69.61 -24.41 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.124 0.488 . . . . 0.0 110.447 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.8 tpt -88.74 36.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.857 0.837 . . . . 0.0 109.785 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -141.26 -61.52 0.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.175 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.6 m . . . . . 0 C--O 1.251 1.168 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.859 176.858 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 CA--C 1.518 -0.28 0 CA-C-O 120.453 0.168 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -69.79 -9.96 56.59 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.324 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.9 tp -71.2 -16.33 62.51 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.389 0.614 . . . . 0.0 110.218 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -73.08 -21.49 60.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.981 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 8' ' ' SER . . . . . 0.454 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . 22.5 m -116.55 -19.38 10.06 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.812 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.02 -25.98 46.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.288 0.566 . . . . 0.0 110.179 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.479 ' C ' ' HB2' ' A' ' 14' ' ' LYS . 15.7 ptpt -122.96 36.89 4.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.41 174.594 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HB3' ' HA ' ' A' ' 8' ' ' SER . 3.6 tppp? -123.92 -41.13 2.25 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.914 170.699 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 12' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 8' ' ' SER . 87.5 m-85 -91.96 -54.48 3.83 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.297 175.321 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.469 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -77.27 1.08 66.02 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.905 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HB2' ' C ' ' A' ' 10' ' ' LYS . 64.2 tttm -58.52 -40.61 83.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.983 0.42 . . . . 0.0 110.739 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.63 7.81 11.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.754 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.493 ' O ' HG22 ' A' ' 20' ' ' ILE . 98.1 m-85 -117.09 -54.76 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.336 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 13' ' ' GLY . 14.2 p -72.66 -33.05 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 110.134 -174.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.29 6.62 83.33 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -110.75 -57.04 2.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.824 0.345 . . . . 0.0 110.533 -175.811 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 16' ' ' PHE . 10.8 tt -76.42 -29.99 19.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.461 -176.096 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.4 mmt -80.88 -25.78 37.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.958 0.408 . . . . 0.0 110.468 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -131.44 78.48 1.83 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.375 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 C--O 1.252 1.189 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.436 178.294 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.1 pttp . . . . . 0 CA--C 1.518 -0.255 0 CA-C-O 121.262 0.553 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -83.14 -8.9 59.44 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 174.318 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.44 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 31.4 tp -82.35 -8.68 59.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.103 -172.452 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -65.74 -59.83 3.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.779 0.324 . . . . 0.0 110.412 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.9 m -87.1 -16.43 35.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.566 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -67.49 -18.93 65.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 0.0 109.235 171.707 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 33.5 ttpt -100.92 3.64 41.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.546 177.73 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -92.44 -48.77 6.47 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -103.94 -46.14 4.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.22 0.533 . . . . 0.0 110.205 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.683 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -76.11 0.61 62.46 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.487 -175.267 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 26.2 pttm -61.15 -29.45 69.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.935 0.367 . . . . 0.0 111.024 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.66 -30.78 66.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.433 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.683 ' HD2' ' HA2' ' A' ' 13' ' ' GLY . 90.9 m-85 -83.25 -50.62 8.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.686 -178.146 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 21' ' ' MET . 34.0 m -69.12 -24.75 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-O 120.925 0.393 . . . . 0.0 110.464 -176.987 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.17 -16.16 66.37 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.079 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -103.07 -34.77 8.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.813 0.339 . . . . 0.0 110.147 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 16' ' ' PHE . 71.9 mt -60.25 -44.6 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.77 179.005 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.6 ptm -84.28 8.35 16.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.193 0.521 . . . . 0.0 110.564 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -106.27 -23.51 12.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.115 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.75 -0.643 . . . . 0.0 110.513 -175.777 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 120.809 0.338 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -89.83 1.8 55.73 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 170.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.865 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 36.6 tp -72.49 -11.74 60.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.631 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -62.39 -52.29 64.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.03 0.443 . . . . 0.0 109.818 177.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 m -83.58 -22.11 32.42 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.489 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.865 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -68.34 -8.34 39.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.142 0.496 . . . . 0.0 110.322 175.164 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 61.3 mtpt -112.48 -14.92 13.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.569 172.782 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -84.91 -55.62 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -105.87 -36.34 7.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.477 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.781 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -73.57 -4.84 66.51 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.159 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.503 ' HA ' HG12 ' A' ' 17' ' ' VAL . 64.2 tttm -59.94 -30.23 68.93 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 117.178 0.489 . . . . 0.0 110.43 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.12 -11.6 60.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.781 ' HD2' ' HA2' ' A' ' 13' ' ' GLY . 87.3 m-85 -103.87 -47.58 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.596 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 14' ' ' LYS . 13.2 p -68.96 -32.75 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.21 16.29 34.52 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.479 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' GLU . . . . . 0.483 ' HA ' ' ND2' ' A' ' 22' ' ' ASN . 9.5 tp10 -122.15 -43.5 2.32 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.229 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.2 mt -63.65 -35.5 73.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.464 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.9 mtp -71.88 -8.74 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.513 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.483 ' ND2' ' HA ' ' A' ' 19' ' ' GLU . 78.7 m-20 -82.2 -12.37 58.16 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.832 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.709 -0.662 . . . . 0.0 109.792 -178.883 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 CA--C 1.515 -0.399 0 CA-C-O 120.798 0.332 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -68.49 -19.94 64.57 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 171.159 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 6' ' ' LEU . . . . . 0.431 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 3.3 mm? -83.72 -15.89 46.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.042 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -77.3 -33.38 55.66 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -84.63 -29.62 25.59 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.482 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' ALA . . . . . 0.431 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -63.69 -15.78 59.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 169.773 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' LYS . . . . . 0.56 ' HA ' ' HB3' ' A' ' 14' ' ' LYS . 50.4 mttp -113.67 16.3 18.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.749 172.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -102.34 -51.49 3.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 110.155 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -123.56 -4.15 8.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.147 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' GLY . . . . . 0.558 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -125.7 13.09 7.31 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.855 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LYS . . . . . 0.56 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 14.2 ptmm? -64.25 -30.46 71.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.778 0.323 . . . . 0.0 110.209 -177.401 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.89 -21.72 60.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.633 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' PHE . . . . . 0.558 ' HD2' ' HA2' ' A' ' 13' ' ' GLY . 98.4 m-85 -90.25 -44.63 9.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.793 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.532 HG22 ' HA ' ' A' ' 14' ' ' LYS . 32.8 m -71.14 -23.11 23.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.985 0.421 . . . . 0.0 110.519 -178.2 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.32 -6.38 75.14 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.477 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -123.67 -61.76 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.786 0.327 . . . . 0.0 110.568 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.12 -45.11 99.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.249 -177.029 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.2 mmt -105.57 42.94 1.17 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.755 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -150.45 -52.27 0.14 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.771 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.734 -0.65 . . . . 0.0 110.064 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.829 ' HA3' ' HB2' ' A' ' 5' ' ' PHE . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 112.093 -0.403 . . . . 0.0 112.093 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.8 tt -129.57 -20.4 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.884 0.373 . . . . 0.0 110.764 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.77 -72.77 0.72 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.789 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -137.11 -6.03 1.85 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.146 0.498 . . . . 0.0 110.192 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.829 ' HB2' ' HA3' ' A' ' 1' ' ' GLY . 97.8 m-85 -71.63 -12.56 61.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.421 0.629 . . . . 0.0 109.685 174.785 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.637 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 39.8 tp -72.08 -13.88 61.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.453 -178.737 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -59.89 -40.91 90.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.531 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.443 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . 24.5 p -106.35 -18.01 14.12 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 177.186 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.637 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -57.13 -25.94 59.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.9 0.381 . . . . 0.0 110.396 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -126.09 26.13 6.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.177 0.513 . . . . 0.0 110.616 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HB3' ' HA ' ' A' ' 8' ' ' SER . 62.7 tttm -127.57 -34.99 2.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.812 175.61 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -110.02 -47.18 3.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.448 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.414 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -76.4 -1.42 70.23 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.062 -0.59 . . . . 0.0 113.022 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -57.47 -36.02 70.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.0 0.429 . . . . 0.0 111.54 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.21 6.38 48.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.012 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.461 ' O ' HG22 ' A' ' 20' ' ' ILE . 98.9 m-85 -117.2 -57.57 2.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.317 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.407 ' O ' ' HB3' ' A' ' 21' ' ' MET . 40.6 t -72.76 -26.42 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.445 0.64 . . . . 0.0 109.816 -175.707 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.12 8.95 75.61 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.836 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -129.08 -70.01 0.68 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.739 0.304 . . . . 0.0 111.495 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 16' ' ' PHE . 10.5 tp -76.91 -14.12 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.249 0.547 . . . . 0.0 111.048 -171.622 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.407 ' HB3' ' O ' ' A' ' 17' ' ' VAL . 21.3 ttt -74.03 -40.99 62.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.151 175.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -72.78 -51.79 17.59 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.109 177.181 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.79 ' HA3' ' HB2' ' A' ' 5' ' ' PHE . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 112.287 -0.325 . . . . 0.0 112.287 . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.8 mt 69.33 131.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 121.278 0.561 . . . . 0.0 111.269 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.57 -70.89 1.9 Allowed Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.938 -0.574 . . . . 0.0 113.191 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -93.79 -12.89 28.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.233 0.54 . . . . 0.0 110.306 -174.338 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.79 ' HB2' ' HA3' ' A' ' 1' ' ' GLY . 91.2 t80 -66.5 -21.85 66.18 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.212 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.75 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 89.9 mt -77.99 -18.27 56.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.006 -176.581 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -60.8 -50.58 72.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 109.731 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.5 m -83.19 -19.43 36.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.897 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.75 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -66.01 -14.79 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.252 0.549 . . . . 0.0 109.666 172.621 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -96.72 -37.62 10.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.545 172.197 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -73.76 -44.64 55.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 111.388 -174.147 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -127.52 -23.32 3.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.157 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.449 ' HA3' ' HA ' ' A' ' 9' ' ' ALA . . . -61.92 -42.58 99.75 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.436 -0.888 . . . . 0.0 111.786 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.566 ' HA ' HG12 ' A' ' 17' ' ' VAL . 47.5 mmtm -75.63 -18.38 59.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.988 0.423 . . . . 0.0 110.762 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.56 -45.72 18.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 110.083 176.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.55 ' O ' HG22 ' A' ' 20' ' ' ILE . 75.6 t80 -69.11 -45.91 69.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.654 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.566 HG12 ' HA ' ' A' ' 14' ' ' LYS . 4.7 p -73.35 -11.28 14.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.414 0.626 . . . . 0.0 110.036 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.38 -11.36 85.57 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.386 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -116.93 -45.72 2.76 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 121.191 -0.204 . . . . 0.0 110.792 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 16' ' ' PHE . 10.8 tp -79.3 49.69 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 122.314 1.054 . . . . 0.0 110.802 -177.833 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 53.8 tpp -139.54 -56.65 0.58 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.518 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 81.3 m-20 -112.65 16.87 19.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.185 0.517 . . . . 0.0 110.262 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.623 -0.703 . . . . 0.0 109.795 178.763 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.526 ' O ' ' HB ' ' A' ' 2' ' ' ILE . . . . . . . . 0 N--CA 1.484 1.862 0 N-CA-C 112.283 -0.327 . . . . 0.0 112.283 . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.526 ' HB ' ' O ' ' A' ' 1' ' ' GLY . 1.8 mp 70.89 147.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-O 121.095 0.474 . . . . 0.0 110.085 -174.003 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.29 -81.24 1.75 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.716 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -104.1 -15.04 15.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.14 0.495 . . . . 0.0 110.804 -177.351 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -78.01 -12.15 59.96 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 171.762 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.621 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 63.5 mt -79.07 -9.0 59.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.916 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -67.0 -43.49 82.78 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.566 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.434 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 20.1 m -84.42 -28.04 27.17 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.821 177.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -66.3 -11.44 50.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.191 0.519 . . . . 0.0 110.132 174.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -116.66 8.78 13.9 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.617 0.723 . . . . 0.0 109.302 176.332 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 8' ' ' SER . 58.4 tttp -81.21 -64.09 1.26 Allowed 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.594 176.649 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -114.69 -32.21 5.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.167 0.508 . . . . 0.0 109.742 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.98 6.7 55.23 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.547 -0.751 . . . . 0.0 113.02 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -63.51 -27.42 69.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.152 0.501 . . . . 0.0 110.542 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.62 -27.48 25.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.919 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -76.3 -31.32 58.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.325 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.52 -34.4 65.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.332 0.587 . . . . 0.0 109.821 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.26 -10.75 85.71 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.447 174.916 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -93.59 -43.85 8.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.241 0.543 . . . . 0.0 110.255 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 tt -71.87 -28.51 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.946 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -80.72 -10.04 59.76 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -175.144 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -102.51 12.15 36.87 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.355 0.598 . . . . 0.0 110.082 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.5 m . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.633 176.727 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.5 pt -132.66 -40.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.703 0.287 . . . . 0.0 111.435 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.21 4.38 86.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.609 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -145.29 -1.9 0.8 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.02 0.438 . . . . 0.0 110.522 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -72.19 -20.63 61.55 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.337 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.594 ' HB3' ' HE2' ' A' ' 10' ' ' LYS . 3.1 mm? -105.17 8.47 34.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.166 -176.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -88.81 -56.43 3.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.712 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.2 p -85.84 -30.79 22.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.071 -176.571 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.31 -20.41 59.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.278 0.561 . . . . 0.0 110.175 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.594 ' HE2' ' HB3' ' A' ' 6' ' ' LEU . 65.7 mttm -103.64 -7.48 20.7 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.681 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -101.28 -37.18 8.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.827 0.346 . . . . 0.0 110.697 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -125.55 22.76 7.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.088 0.947 . . . . 0.0 108.978 -174.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.3 -53.63 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.067 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -66.67 -41.84 87.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.975 0.417 . . . . 0.0 110.218 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.34 -25.56 23.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -81.91 -57.97 3.19 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.809 0.338 . . . . 0.0 110.971 -175.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.602 ' HA ' HG12 ' A' ' 20' ' ' ILE . 57.7 t -68.88 -27.03 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.087 0.47 . . . . 0.0 109.824 -177.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.06 -9.48 35.02 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.32 -0.855 . . . . 0.0 113.44 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -108.91 -49.54 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 110.926 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.602 HG12 ' HA ' ' A' ' 17' ' ' VAL . 37.4 pt -63.74 -29.45 47.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -170.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.2 ptt? -82.89 -8.38 59.58 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.466 -176.482 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -93.04 -21.29 19.82 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.832 0.348 . . . . 0.0 110.441 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.526 -0.75 . . . . 0.0 110.333 -176.479 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' HA2' ' CD1' ' A' ' 5' ' ' PHE . . . . . . . . 0 N--CA 1.481 1.674 0 N-CA-C 112.031 -0.428 . . . . 0.0 112.031 . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 3' ' ' GLY . 36.4 mt 66.45 167.14 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -174.431 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.489 ' N ' HG22 ' A' ' 2' ' ' ILE . . . 76.89 -76.82 1.55 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.821 178.333 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -98.29 -20.56 17.14 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.282 -175.238 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.417 ' CD1' ' HA2' ' A' ' 1' ' ' GLY . 63.6 m-85 -77.5 0.48 22.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.894 175.273 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.635 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 47.2 tp -85.44 -8.56 58.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.361 176.353 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -58.95 -54.94 41.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.359 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 19.6 m -98.78 -5.46 31.2 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.955 178.457 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.635 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -62.11 -26.79 68.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.067 0.46 . . . . 0.0 110.027 175.598 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -91.1 -30.23 16.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.438 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -110.41 23.58 14.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.451 0.643 . . . . 0.0 110.669 -172.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.513 ' O ' ' HB2' ' A' ' 16' ' ' PHE . 91.8 t80 -161.71 -47.94 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.843 176.464 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.47 -60.97 6.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.683 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -57.45 -35.37 70.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.108 0.48 . . . . 0.0 111.298 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.85 -42.42 60.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.732 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.513 ' HB2' ' O ' ' A' ' 12' ' ' PHE . 9.9 t80 -67.09 -39.82 86.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.597 -177.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.642 ' HA ' HG12 ' A' ' 20' ' ' ILE . 32.6 m -72.3 -20.64 19.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.055 0.455 . . . . 0.0 110.433 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.89 -18.07 77.34 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.521 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.45 -49.45 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.147 0.499 . . . . 0.0 110.139 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.642 HG12 ' HA ' ' A' ' 17' ' ' VAL . 18.6 pt -70.25 -10.48 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.67 -177.545 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.1 ttm -63.91 -39.9 95.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.132 0.491 . . . . 0.0 109.748 173.334 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -105.39 22.0 16.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.563 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.63 ' HB2' ' HA ' ' A' ' 20' ' ' ILE . 19.7 m . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.602 -0.713 . . . . 0.0 109.955 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.961 ' HA3' ' HB2' ' A' ' 5' ' ' PHE . . . . . . . . 0 N--CA 1.484 1.875 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.2 mt -101.89 -70.25 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.936 0.398 . . . . 0.0 110.249 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -131.71 -29.87 0.56 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.567 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -81.65 -40.61 22.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.952 0.406 . . . . 0.0 110.13 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.961 ' HB2' ' HA3' ' A' ' 1' ' ' GLY . 80.5 m-85 -81.91 19.96 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.378 0.609 . . . . 0.0 109.753 171.581 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.6 tp -121.35 -10.35 8.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.952 174.324 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -72.97 -72.37 0.25 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.795 -174.423 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 p -90.05 -22.62 21.76 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.855 0.359 . . . . 0.0 111.274 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.96 -13.53 57.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.158 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 30.3 mmtp -121.15 21.48 11.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.19 174.796 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -110.08 -61.67 1.62 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 170.398 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -86.14 -32.17 21.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.178 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.94 -0.51 89.58 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.886 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -60.94 -33.88 73.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.114 0.483 . . . . 0.0 110.122 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.26 26.35 6.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.623 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -140.0 -59.05 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.727 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.666 ' HA ' HG22 ' A' ' 20' ' ' ILE . 44.9 t -71.11 -35.42 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.174 0.512 . . . . 0.0 110.239 -174.682 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.35 -5.7 50.54 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.846 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -119.35 -30.42 4.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.815 0.308 . . . . 0.0 111.08 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.666 HG22 ' HA ' ' A' ' 17' ' ' VAL . 11.1 tp -69.61 -24.41 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.124 0.488 . . . . 0.0 110.447 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.8 tpt -88.74 36.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.857 0.837 . . . . 0.0 109.785 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -141.26 -61.52 0.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.175 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.6 m . . . . . 0 C--O 1.251 1.168 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.859 176.858 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.922 ' HA3' ' HB3' ' A' ' 5' ' ' PHE . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 111.869 -0.493 . . . . 0.0 111.869 . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.5 tp -136.25 -22.64 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.083 0.468 . . . . 0.0 111.409 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.36 -65.75 1.36 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.263 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -123.54 -21.7 5.2 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.428 -176.113 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.922 ' HB3' ' HA3' ' A' ' 1' ' ' GLY . 68.4 t80 -69.79 -9.96 56.59 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.324 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.9 tp -71.2 -16.33 62.51 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.389 0.614 . . . . 0.0 110.218 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -73.08 -21.49 60.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.981 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' SER . . . . . 0.454 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . 22.5 m -116.55 -19.38 10.06 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.812 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.02 -25.98 46.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.288 0.566 . . . . 0.0 110.179 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.479 ' C ' ' HB2' ' A' ' 14' ' ' LYS . 15.7 ptpt -122.96 36.89 4.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.41 174.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HB3' ' HA ' ' A' ' 8' ' ' SER . 3.6 tppp? -123.92 -41.13 2.25 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.914 170.699 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 8' ' ' SER . 87.5 m-85 -91.96 -54.48 3.83 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.297 175.321 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.469 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -77.27 1.08 66.02 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.905 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HB2' ' C ' ' A' ' 10' ' ' LYS . 64.2 tttm -58.52 -40.61 83.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.983 0.42 . . . . 0.0 110.739 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.63 7.81 11.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.754 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.493 ' O ' HG22 ' A' ' 20' ' ' ILE . 98.1 m-85 -117.09 -54.76 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.336 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 13' ' ' GLY . 14.2 p -72.66 -33.05 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 110.134 -174.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.29 6.62 83.33 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -110.75 -57.04 2.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.824 0.345 . . . . 0.0 110.533 -175.811 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 16' ' ' PHE . 10.8 tt -76.42 -29.99 19.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.461 -176.096 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.4 mmt -80.88 -25.78 37.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.958 0.408 . . . . 0.0 110.468 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -131.44 78.48 1.83 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.375 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 C--O 1.252 1.189 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.436 178.294 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.817 0 N-CA-C 112.646 -0.182 . . . . 0.0 112.646 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ILE . . . . . 0.886 HG13 ' H ' ' A' ' 3' ' ' GLY . 10.5 tp -98.75 -151.62 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 174.324 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 3' ' ' GLY . . . . . 0.886 ' H ' HG13 ' A' ' 2' ' ' ILE . . . -59.74 -10.08 11.88 Favored Glycine 0 CA--C 1.526 0.739 0 CA-C-N 118.515 0.598 . . . . 0.0 114.556 -176.529 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -89.12 -19.97 24.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 118.173 0.986 . . . . 0.0 110.197 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -83.14 -8.9 59.44 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 174.318 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 31.4 tp -82.35 -8.68 59.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.103 -172.452 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -65.74 -59.83 3.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.779 0.324 . . . . 0.0 110.412 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.9 m -87.1 -16.43 35.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.566 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -67.49 -18.93 65.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 0.0 109.235 171.707 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 33.5 ttpt -100.92 3.64 41.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.546 177.73 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -92.44 -48.77 6.47 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -103.94 -46.14 4.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.22 0.533 . . . . 0.0 110.205 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.683 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -76.11 0.61 62.46 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.487 -175.267 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 26.2 pttm -61.15 -29.45 69.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.935 0.367 . . . . 0.0 111.024 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.66 -30.78 66.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.433 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.683 ' HD2' ' HA2' ' A' ' 13' ' ' GLY . 90.9 m-85 -83.25 -50.62 8.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.686 -178.146 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 21' ' ' MET . 34.0 m -69.12 -24.75 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-O 120.925 0.393 . . . . 0.0 110.464 -176.987 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.17 -16.16 66.37 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.079 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -103.07 -34.77 8.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.813 0.339 . . . . 0.0 110.147 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 16' ' ' PHE . 71.9 mt -60.25 -44.6 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.77 179.005 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.6 ptm -84.28 8.35 16.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.193 0.521 . . . . 0.0 110.564 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -106.27 -23.51 12.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.115 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.75 -0.643 . . . . 0.0 110.513 -175.777 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 112.327 -0.309 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 48.6 mm -124.55 -44.36 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.828 0.347 . . . . 0.0 110.49 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -138.28 6.05 3.31 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.158 -1.02 . . . . 0.0 113.114 -177.69 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -94.19 -15.21 24.81 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.229 -0.571 . . . . 0.0 111.012 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -89.83 1.8 55.73 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 170.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.865 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 36.6 tp -72.49 -11.74 60.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.631 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -62.39 -52.29 64.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.03 0.443 . . . . 0.0 109.818 177.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 m -83.58 -22.11 32.42 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.489 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.865 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -68.34 -8.34 39.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.142 0.496 . . . . 0.0 110.322 175.164 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 61.3 mtpt -112.48 -14.92 13.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.569 172.782 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -84.91 -55.62 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -105.87 -36.34 7.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.477 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.781 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -73.57 -4.84 66.51 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.159 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.503 ' HA ' HG12 ' A' ' 17' ' ' VAL . 64.2 tttm -59.94 -30.23 68.93 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 117.178 0.489 . . . . 0.0 110.43 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.12 -11.6 60.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.781 ' HD2' ' HA2' ' A' ' 13' ' ' GLY . 87.3 m-85 -103.87 -47.58 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.596 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 14' ' ' LYS . 13.2 p -68.96 -32.75 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.21 16.29 34.52 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.479 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' GLU . . . . . 0.483 ' HA ' ' ND2' ' A' ' 22' ' ' ASN . 9.5 tp10 -122.15 -43.5 2.32 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.229 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.2 mt -63.65 -35.5 73.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.464 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.9 mtp -71.88 -8.74 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.513 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.483 ' ND2' ' HA ' ' A' ' 19' ' ' GLU . 78.7 m-20 -82.2 -12.37 58.16 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.832 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.709 -0.662 . . . . 0.0 109.792 -178.883 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . 0.678 ' HA2' ' HB2' ' A' ' 5' ' ' PHE . . . . . . . . 0 N--CA 1.478 1.496 0 N-CA-C 111.906 -0.477 . . . . 0.0 111.906 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.9 mt 68.65 140.19 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.312 0.577 . . . . 0.0 111.126 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.02 -76.21 2.07 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.081 -0.58 . . . . 0.0 113.249 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -114.17 -7.81 13.0 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 120.798 0.332 . . . . 0.0 111.224 -170.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' PHE . . . . . 0.678 ' HB2' ' HA2' ' A' ' 1' ' ' GLY . 89.3 t80 -68.49 -19.94 64.57 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 171.159 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' LEU . . . . . 0.431 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 3.3 mm? -83.72 -15.89 46.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.042 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -77.3 -33.38 55.66 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -84.63 -29.62 25.59 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.482 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ALA . . . . . 0.431 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -63.69 -15.78 59.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 169.773 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' LYS . . . . . 0.56 ' HA ' ' HB3' ' A' ' 14' ' ' LYS . 50.4 mttp -113.67 16.3 18.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.749 172.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -102.34 -51.49 3.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 110.155 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -123.56 -4.15 8.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.147 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' GLY . . . . . 0.558 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -125.7 13.09 7.31 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.855 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LYS . . . . . 0.56 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 14.2 ptmm? -64.25 -30.46 71.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.778 0.323 . . . . 0.0 110.209 -177.401 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.89 -21.72 60.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.633 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' PHE . . . . . 0.558 ' HD2' ' HA2' ' A' ' 13' ' ' GLY . 98.4 m-85 -90.25 -44.63 9.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.793 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.532 HG22 ' HA ' ' A' ' 14' ' ' LYS . 32.8 m -71.14 -23.11 23.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.985 0.421 . . . . 0.0 110.519 -178.2 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.32 -6.38 75.14 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.477 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -123.67 -61.76 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.786 0.327 . . . . 0.0 110.568 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.12 -45.11 99.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.249 -177.029 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.2 mmt -105.57 42.94 1.17 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.755 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -150.45 -52.27 0.14 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.771 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.734 -0.65 . . . . 0.0 110.064 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.1 tttt . . . . . 0 N--CA 1.456 -0.172 0 CA-C-O 121.146 0.498 . . . . 0.0 110.192 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 97.8 m-85 -71.63 -12.56 61.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.421 0.629 . . . . 0.0 109.685 174.785 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.637 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 39.8 tp -72.08 -13.88 61.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.453 -178.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -59.89 -40.91 90.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.531 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.443 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . 24.5 p -106.35 -18.01 14.12 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 177.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.637 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -57.13 -25.94 59.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.9 0.381 . . . . 0.0 110.396 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -126.09 26.13 6.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.177 0.513 . . . . 0.0 110.616 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HB3' ' HA ' ' A' ' 8' ' ' SER . 62.7 tttm -127.57 -34.99 2.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.812 175.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -110.02 -47.18 3.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.448 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.414 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -76.4 -1.42 70.23 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.062 -0.59 . . . . 0.0 113.022 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -57.47 -36.02 70.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.0 0.429 . . . . 0.0 111.54 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.21 6.38 48.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.012 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.461 ' O ' HG22 ' A' ' 20' ' ' ILE . 98.9 m-85 -117.2 -57.57 2.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.317 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.407 ' O ' ' HB3' ' A' ' 21' ' ' MET . 40.6 t -72.76 -26.42 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.445 0.64 . . . . 0.0 109.816 -175.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.12 8.95 75.61 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.836 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -129.08 -70.01 0.68 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.739 0.304 . . . . 0.0 111.495 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 16' ' ' PHE . 10.5 tp -76.91 -14.12 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.249 0.547 . . . . 0.0 111.048 -171.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.407 ' HB3' ' O ' ' A' ' 17' ' ' VAL . 21.3 ttt -74.03 -40.99 62.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.151 175.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -72.78 -51.79 17.59 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.109 177.181 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 pttt . . . . . 0 CA--C 1.516 -0.356 0 CA-C-O 121.233 0.54 . . . . 0.0 110.306 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 91.2 t80 -66.5 -21.85 66.18 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.212 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.75 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 89.9 mt -77.99 -18.27 56.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.006 -176.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -60.8 -50.58 72.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 109.731 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.5 m -83.19 -19.43 36.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.897 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.75 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -66.01 -14.79 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.252 0.549 . . . . 0.0 109.666 172.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -96.72 -37.62 10.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.545 172.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -73.76 -44.64 55.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 111.388 -174.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -127.52 -23.32 3.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.157 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.449 ' HA3' ' HA ' ' A' ' 9' ' ' ALA . . . -61.92 -42.58 99.75 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.436 -0.888 . . . . 0.0 111.786 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.566 ' HA ' HG12 ' A' ' 17' ' ' VAL . 47.5 mmtm -75.63 -18.38 59.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.988 0.423 . . . . 0.0 110.762 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.56 -45.72 18.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 110.083 176.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.55 ' O ' HG22 ' A' ' 20' ' ' ILE . 75.6 t80 -69.11 -45.91 69.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.654 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.566 HG12 ' HA ' ' A' ' 14' ' ' LYS . 4.7 p -73.35 -11.28 14.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.414 0.626 . . . . 0.0 110.036 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.38 -11.36 85.57 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.386 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -116.93 -45.72 2.76 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 121.191 -0.204 . . . . 0.0 110.792 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 16' ' ' PHE . 10.8 tp -79.3 49.69 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 122.314 1.054 . . . . 0.0 110.802 -177.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 53.8 tpp -139.54 -56.65 0.58 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.518 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -112.65 16.87 19.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.185 0.517 . . . . 0.0 110.262 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.623 -0.703 . . . . 0.0 109.795 178.763 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.4 pttp . . . . . 0 CA--C 1.521 -0.138 0 CA-C-O 121.14 0.495 . . . . 0.0 110.804 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -78.01 -12.15 59.96 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 171.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.621 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 63.5 mt -79.07 -9.0 59.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.916 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -67.0 -43.49 82.78 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.434 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 20.1 m -84.42 -28.04 27.17 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.821 177.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -66.3 -11.44 50.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.191 0.519 . . . . 0.0 110.132 174.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -116.66 8.78 13.9 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.617 0.723 . . . . 0.0 109.302 176.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 8' ' ' SER . 58.4 tttp -81.21 -64.09 1.26 Allowed 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.594 176.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -114.69 -32.21 5.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.167 0.508 . . . . 0.0 109.742 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.98 6.7 55.23 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.547 -0.751 . . . . 0.0 113.02 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -63.51 -27.42 69.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.152 0.501 . . . . 0.0 110.542 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.62 -27.48 25.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.919 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -76.3 -31.32 58.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.325 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.52 -34.4 65.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.332 0.587 . . . . 0.0 109.821 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.26 -10.75 85.71 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.447 174.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -93.59 -43.85 8.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.241 0.543 . . . . 0.0 110.255 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 tt -71.87 -28.51 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.946 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -80.72 -10.04 59.76 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -175.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -102.51 12.15 36.87 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.355 0.598 . . . . 0.0 110.082 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.5 m . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.633 176.727 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.1 pttt . . . . . 0 CA--C 1.519 -0.23 0 CA-C-O 121.02 0.438 . . . . 0.0 110.522 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -72.19 -20.63 61.55 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.337 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.594 ' HB3' ' HE2' ' A' ' 10' ' ' LYS . 3.1 mm? -105.17 8.47 34.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.166 -176.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -88.81 -56.43 3.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.712 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.2 p -85.84 -30.79 22.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.071 -176.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.31 -20.41 59.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.278 0.561 . . . . 0.0 110.175 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.594 ' HE2' ' HB3' ' A' ' 6' ' ' LEU . 65.7 mttm -103.64 -7.48 20.7 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.681 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -101.28 -37.18 8.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.827 0.346 . . . . 0.0 110.697 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -125.55 22.76 7.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.088 0.947 . . . . 0.0 108.978 -174.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.3 -53.63 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.067 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -66.67 -41.84 87.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.975 0.417 . . . . 0.0 110.218 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.34 -25.56 23.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -81.91 -57.97 3.19 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.809 0.338 . . . . 0.0 110.971 -175.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.602 ' HA ' HG12 ' A' ' 20' ' ' ILE . 57.7 t -68.88 -27.03 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.087 0.47 . . . . 0.0 109.824 -177.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.06 -9.48 35.02 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.32 -0.855 . . . . 0.0 113.44 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -108.91 -49.54 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 110.926 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.602 HG12 ' HA ' ' A' ' 17' ' ' VAL . 37.4 pt -63.74 -29.45 47.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -170.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.2 ptt? -82.89 -8.38 59.58 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.466 -176.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -93.04 -21.29 19.82 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.832 0.348 . . . . 0.0 110.441 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.526 -0.75 . . . . 0.0 110.333 -176.479 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? . . . . . 0 CA--C 1.516 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.282 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -77.5 0.48 22.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.894 175.273 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.635 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 47.2 tp -85.44 -8.56 58.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.361 176.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -58.95 -54.94 41.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.359 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 19.6 m -98.78 -5.46 31.2 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.955 178.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.635 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -62.11 -26.79 68.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.067 0.46 . . . . 0.0 110.027 175.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -91.1 -30.23 16.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.438 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -110.41 23.58 14.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.451 0.643 . . . . 0.0 110.669 -172.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.513 ' O ' ' HB2' ' A' ' 16' ' ' PHE . 91.8 t80 -161.71 -47.94 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.843 176.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.47 -60.97 6.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.683 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -57.45 -35.37 70.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.108 0.48 . . . . 0.0 111.298 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.85 -42.42 60.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.732 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.513 ' HB2' ' O ' ' A' ' 12' ' ' PHE . 9.9 t80 -67.09 -39.82 86.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.597 -177.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.642 ' HA ' HG12 ' A' ' 20' ' ' ILE . 32.6 m -72.3 -20.64 19.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.055 0.455 . . . . 0.0 110.433 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.89 -18.07 77.34 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.521 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.45 -49.45 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.147 0.499 . . . . 0.0 110.139 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.642 HG12 ' HA ' ' A' ' 17' ' ' VAL . 18.6 pt -70.25 -10.48 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.67 -177.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.1 ttm -63.91 -39.9 95.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.132 0.491 . . . . 0.0 109.748 173.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -105.39 22.0 16.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.563 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . 0.63 ' HB2' ' HA ' ' A' ' 20' ' ' ILE . 19.7 m . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.602 -0.713 . . . . 0.0 109.955 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.3 mttt . . . . . 0 CA--C 1.516 -0.349 0 CA-C-O 120.952 0.406 . . . . 0.0 110.13 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -81.91 19.96 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.378 0.609 . . . . 0.0 109.753 171.581 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.6 tp -121.35 -10.35 8.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.952 174.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -72.97 -72.37 0.25 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.795 -174.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 p -90.05 -22.62 21.76 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.855 0.359 . . . . 0.0 111.274 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.96 -13.53 57.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.158 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 30.3 mmtp -121.15 21.48 11.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.19 174.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -110.08 -61.67 1.62 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 170.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -86.14 -32.17 21.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.178 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.94 -0.51 89.58 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.886 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -60.94 -33.88 73.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.114 0.483 . . . . 0.0 110.122 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.26 26.35 6.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.623 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -140.0 -59.05 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.727 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.666 ' HA ' HG22 ' A' ' 20' ' ' ILE . 44.9 t -71.11 -35.42 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.174 0.512 . . . . 0.0 110.239 -174.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.35 -5.7 50.54 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.846 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -119.35 -30.42 4.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.815 0.308 . . . . 0.0 111.08 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.666 HG22 ' HA ' ' A' ' 17' ' ' VAL . 11.1 tp -69.61 -24.41 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.124 0.488 . . . . 0.0 110.447 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.8 tpt -88.74 36.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.857 0.837 . . . . 0.0 109.785 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -141.26 -61.52 0.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.175 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.6 m . . . . . 0 C--O 1.251 1.168 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.859 176.858 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.4 pttp . . . . . 0 CA--C 1.518 -0.28 0 CA-C-O 120.453 0.168 . . . . 0.0 111.428 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 68.4 t80 -69.79 -9.96 56.59 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.324 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.9 tp -71.2 -16.33 62.51 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.389 0.614 . . . . 0.0 110.218 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -73.08 -21.49 60.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.981 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . 0.454 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . 22.5 m -116.55 -19.38 10.06 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.812 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.02 -25.98 46.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.288 0.566 . . . . 0.0 110.179 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.479 ' C ' ' HB2' ' A' ' 14' ' ' LYS . 15.7 ptpt -122.96 36.89 4.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.41 174.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HB3' ' HA ' ' A' ' 8' ' ' SER . 3.6 tppp? -123.92 -41.13 2.25 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.914 170.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 8' ' ' SER . 87.5 m-85 -91.96 -54.48 3.83 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.297 175.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.469 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -77.27 1.08 66.02 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.905 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HB2' ' C ' ' A' ' 10' ' ' LYS . 64.2 tttm -58.52 -40.61 83.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.983 0.42 . . . . 0.0 110.739 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.63 7.81 11.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.754 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.493 ' O ' HG22 ' A' ' 20' ' ' ILE . 98.1 m-85 -117.09 -54.76 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.336 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 13' ' ' GLY . 14.2 p -72.66 -33.05 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 110.134 -174.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.29 6.62 83.33 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -110.75 -57.04 2.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.824 0.345 . . . . 0.0 110.533 -175.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 16' ' ' PHE . 10.8 tt -76.42 -29.99 19.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.461 -176.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.4 mmt -80.88 -25.78 37.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.958 0.408 . . . . 0.0 110.468 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -131.44 78.48 1.83 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.375 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 C--O 1.252 1.189 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.436 178.294 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.1 pttp . . . . . 0 CA--C 1.518 -0.255 0 CA-C-O 121.262 0.553 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -83.14 -8.9 59.44 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 174.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.44 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 31.4 tp -82.35 -8.68 59.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.103 -172.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -65.74 -59.83 3.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.779 0.324 . . . . 0.0 110.412 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.9 m -87.1 -16.43 35.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.566 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -67.49 -18.93 65.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 0.0 109.235 171.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 33.5 ttpt -100.92 3.64 41.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.546 177.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -92.44 -48.77 6.47 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -103.94 -46.14 4.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.22 0.533 . . . . 0.0 110.205 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.683 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -76.11 0.61 62.46 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.487 -175.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 26.2 pttm -61.15 -29.45 69.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.935 0.367 . . . . 0.0 111.024 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.66 -30.78 66.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.433 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.683 ' HD2' ' HA2' ' A' ' 13' ' ' GLY . 90.9 m-85 -83.25 -50.62 8.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.686 -178.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 21' ' ' MET . 34.0 m -69.12 -24.75 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-O 120.925 0.393 . . . . 0.0 110.464 -176.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.17 -16.16 66.37 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.079 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -103.07 -34.77 8.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.813 0.339 . . . . 0.0 110.147 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 16' ' ' PHE . 71.9 mt -60.25 -44.6 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.77 179.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.6 ptm -84.28 8.35 16.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.193 0.521 . . . . 0.0 110.564 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -106.27 -23.51 12.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.115 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.75 -0.643 . . . . 0.0 110.513 -175.777 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp . . . . . 0 CA--C 1.518 -0.268 0 CA-C-O 120.809 0.338 . . . . 0.0 111.012 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -89.83 1.8 55.73 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 170.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.865 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 36.6 tp -72.49 -11.74 60.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.631 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -62.39 -52.29 64.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.03 0.443 . . . . 0.0 109.818 177.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 m -83.58 -22.11 32.42 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.489 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.865 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -68.34 -8.34 39.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.142 0.496 . . . . 0.0 110.322 175.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 61.3 mtpt -112.48 -14.92 13.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.569 172.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -84.91 -55.62 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -105.87 -36.34 7.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.477 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.781 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -73.57 -4.84 66.51 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.159 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.503 ' HA ' HG12 ' A' ' 17' ' ' VAL . 64.2 tttm -59.94 -30.23 68.93 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 117.178 0.489 . . . . 0.0 110.43 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.12 -11.6 60.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.781 ' HD2' ' HA2' ' A' ' 13' ' ' GLY . 87.3 m-85 -103.87 -47.58 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.596 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 14' ' ' LYS . 13.2 p -68.96 -32.75 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.21 16.29 34.52 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.479 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . 0.483 ' HA ' ' ND2' ' A' ' 22' ' ' ASN . 9.5 tp10 -122.15 -43.5 2.32 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.2 mt -63.65 -35.5 73.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.464 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.9 mtp -71.88 -8.74 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.513 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.483 ' ND2' ' HA ' ' A' ' 19' ' ' GLU . 78.7 m-20 -82.2 -12.37 58.16 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.709 -0.662 . . . . 0.0 109.792 -178.883 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.3 pttp . . . . . 0 CA--C 1.515 -0.399 0 CA-C-O 120.798 0.332 . . . . 0.0 111.224 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 89.3 t80 -68.49 -19.94 64.57 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 171.159 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' LEU . . . . . 0.431 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 3.3 mm? -83.72 -15.89 46.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.042 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -77.3 -33.38 55.66 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -84.63 -29.62 25.59 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.482 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' ALA . . . . . 0.431 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -63.69 -15.78 59.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 169.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' LYS . . . . . 0.56 ' HA ' ' HB3' ' A' ' 14' ' ' LYS . 50.4 mttp -113.67 16.3 18.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.749 172.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -102.34 -51.49 3.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 110.155 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -123.56 -4.15 8.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.147 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' GLY . . . . . 0.558 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -125.7 13.09 7.31 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.855 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LYS . . . . . 0.56 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 14.2 ptmm? -64.25 -30.46 71.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.778 0.323 . . . . 0.0 110.209 -177.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.89 -21.72 60.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.633 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' PHE . . . . . 0.558 ' HD2' ' HA2' ' A' ' 13' ' ' GLY . 98.4 m-85 -90.25 -44.63 9.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.793 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.532 HG22 ' HA ' ' A' ' 14' ' ' LYS . 32.8 m -71.14 -23.11 23.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.985 0.421 . . . . 0.0 110.519 -178.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.32 -6.38 75.14 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.477 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -123.67 -61.76 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.786 0.327 . . . . 0.0 110.568 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.12 -45.11 99.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.249 -177.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.2 mmt -105.57 42.94 1.17 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.755 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -150.45 -52.27 0.14 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.771 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.734 -0.65 . . . . 0.0 110.064 -179.463 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.829 ' HA3' ' HB2' ' A' ' 5' ' ' PHE . . . . . . . . 0 N--CA 1.482 1.711 0 N-CA-C 112.093 -0.403 . . . . 0.0 112.093 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 13.8 tt -129.57 -20.4 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-O 120.884 0.373 . . . . 0.0 110.764 -178.037 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -66.77 -72.77 0.72 Allowed Glycine 0 N--CA 1.45 -0.428 0 C-N-CA 120.717 -0.754 . . . . 0.0 111.789 177.783 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 76.1 tttt -137.11 -6.03 1.85 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-O 121.146 0.498 . . . . 0.0 110.192 175.873 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.829 ' HB2' ' HA3' ' A' ' 1' ' ' GLY . 97.8 m-85 -71.63 -12.56 61.41 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-O 121.421 0.629 . . . . 0.0 109.685 174.785 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.637 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 39.8 tp -72.08 -13.88 61.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.273 -0.876 . . . . 0.0 110.453 -178.737 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 12.2 t-80 -59.89 -40.91 90.34 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.517 -0.765 . . . . 0.0 110.531 -177.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.443 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . 24.5 p -106.35 -18.01 14.12 Favored 'General case' 0 C--O 1.237 0.41 0 N-CA-C 111.727 0.269 . . . . 0.0 111.727 177.186 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.637 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -57.13 -25.94 59.67 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.9 0.381 . . . . 0.0 110.396 177.645 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 13.5 mmmm -126.09 26.13 6.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.177 0.513 . . . . 0.0 110.616 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.443 ' HB3' ' HA ' ' A' ' 8' ' ' SER . 62.7 tttm -127.57 -34.99 2.18 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.759 -0.655 . . . . 0.0 109.812 175.61 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -110.02 -47.18 3.36 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.448 174.667 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.414 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -76.4 -1.42 70.23 Favored Glycine 0 CA--C 1.521 0.445 0 C-N-CA 121.062 -0.59 . . . . 0.0 113.022 -179.248 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 22.1 ptmt -57.47 -36.02 70.92 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.0 0.429 . . . . 0.0 111.54 179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -93.21 6.38 48.25 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.012 -177.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.461 ' O ' HG22 ' A' ' 20' ' ' ILE . 98.9 m-85 -117.2 -57.57 2.14 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.317 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.407 ' O ' ' HB3' ' A' ' 21' ' ' MET . 40.6 t -72.76 -26.42 23.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-O 121.445 0.64 . . . . 0.0 109.816 -175.707 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -93.12 8.95 75.61 Favored Glycine 0 N--CA 1.443 -0.837 0 C-N-CA 120.544 -0.836 . . . . 0.0 111.836 178.354 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 23.3 tt0 -129.08 -70.01 0.68 Allowed 'General case' 0 C--N 1.327 -0.381 0 CA-C-O 120.739 0.304 . . . . 0.0 111.495 -176.276 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.461 HG22 ' O ' ' A' ' 16' ' ' PHE . 10.5 tp -76.91 -14.12 14.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.249 0.547 . . . . 0.0 111.048 -171.622 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.407 ' HB3' ' O ' ' A' ' 17' ' ' VAL . 21.3 ttt -74.03 -40.99 62.48 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.151 175.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 45.8 t-20 -72.78 -51.79 17.59 Favored 'General case' 0 C--N 1.327 -0.386 0 N-CA-C 109.475 -0.565 . . . . 0.0 109.475 -179.697 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 74.4 m . . . . . 0 C--O 1.251 1.168 0 CA-C-O 118.332 -0.842 . . . . 0.0 110.109 177.181 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.79 ' HA3' ' HB2' ' A' ' 5' ' ' PHE . . . . . . . . 0 N--CA 1.48 1.599 0 N-CA-C 112.287 -0.325 . . . . 0.0 112.287 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 68.8 mt 69.33 131.46 0.01 OUTLIER 'Isoleucine or valine' 0 N--CA 1.467 0.418 0 CA-C-O 121.278 0.561 . . . . 0.0 111.269 -176.033 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 75.57 -70.89 1.9 Allowed Glycine 0 N--CA 1.451 -0.354 0 CA-C-N 115.938 -0.574 . . . . 0.0 113.191 178.008 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 33.3 pttt -93.79 -12.89 28.07 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.233 0.54 . . . . 0.0 110.306 -174.338 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.79 ' HB2' ' HA3' ' A' ' 1' ' ' GLY . 91.2 t80 -66.5 -21.85 66.18 Favored 'General case' 0 C--N 1.323 -0.57 0 N-CA-C 108.859 -0.793 . . . . 0.0 108.859 170.212 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.75 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 89.9 mt -77.99 -18.27 56.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 115.201 -0.909 . . . . 0.0 111.006 -176.581 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 27.9 t-80 -60.8 -50.58 72.87 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.095 0.474 . . . . 0.0 109.731 175.503 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 22.5 m -83.19 -19.43 36.55 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.306 -0.406 . . . . 0.0 110.897 178.097 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.75 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -66.01 -14.79 62.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 121.252 0.549 . . . . 0.0 109.666 172.621 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 98.1 mttt -96.72 -37.62 10.23 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.545 172.197 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 23.0 tptm -73.76 -44.64 55.54 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.928 0.394 . . . . 0.0 111.388 -174.147 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -127.52 -23.32 3.49 Favored 'General case' 0 C--N 1.321 -0.647 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.157 -176.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.449 ' HA3' ' HA ' ' A' ' 9' ' ' ALA . . . -61.92 -42.58 99.75 Favored Glycine 0 N--CA 1.444 -0.809 0 C-N-CA 120.436 -0.888 . . . . 0.0 111.786 179.48 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.566 ' HA ' HG12 ' A' ' 17' ' ' VAL . 47.5 mmtm -75.63 -18.38 59.7 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-O 120.988 0.423 . . . . 0.0 110.762 179.896 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -79.56 -45.72 18.69 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 121.122 0.487 . . . . 0.0 110.083 176.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.55 ' O ' HG22 ' A' ' 20' ' ' ILE . 75.6 t80 -69.11 -45.91 69.0 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.654 179.679 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.566 HG12 ' HA ' ' A' ' 14' ' ' LYS . 4.7 p -73.35 -11.28 14.65 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-O 121.414 0.626 . . . . 0.0 110.036 -179.38 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -77.38 -11.36 85.57 Favored Glycine 0 N--CA 1.446 -0.653 0 CA-C-N 115.535 -0.757 . . . . 0.0 112.386 178.681 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 9.9 pt-20 -116.93 -45.72 2.76 Favored 'General case' 0 C--N 1.328 -0.352 0 C-N-CA 121.191 -0.204 . . . . 0.0 110.792 177.655 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 16' ' ' PHE . 10.8 tp -79.3 49.69 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.543 0.694 0 CA-C-O 122.314 1.054 . . . . 0.0 110.802 -177.833 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 53.8 tpp -139.54 -56.65 0.58 Allowed 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.277 -0.874 . . . . 0.0 110.518 -179.372 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 15.9 m120 -112.65 16.87 19.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-O 121.185 0.517 . . . . 0.0 110.262 -178.099 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.3 m . . . . . 0 C--O 1.25 1.095 0 CA-C-O 118.623 -0.703 . . . . 0.0 109.795 178.763 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.526 ' O ' ' HB ' ' A' ' 2' ' ' ILE . . . . . . . . 0 N--CA 1.484 1.862 0 N-CA-C 112.283 -0.327 . . . . 0.0 112.283 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.526 ' HB ' ' O ' ' A' ' 1' ' ' GLY . 1.8 mp 70.89 147.28 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.537 0.469 0 CA-C-O 121.095 0.474 . . . . 0.0 110.085 -174.003 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 85.29 -81.24 1.75 Allowed Glycine 0 N--CA 1.446 -0.674 0 C-N-CA 120.879 -0.677 . . . . 0.0 111.716 -179.218 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 17.4 pttp -104.1 -15.04 15.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.14 0.495 . . . . 0.0 110.804 -177.351 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 80.9 t80 -78.01 -12.15 59.96 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.122 -0.696 . . . . 0.0 109.122 171.762 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.621 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 63.5 mt -79.07 -9.0 59.42 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 115.659 -0.7 . . . . 0.0 110.916 -176.131 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 85.3 t60 -67.0 -43.49 82.78 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 174.566 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.434 ' HA ' ' HB2' ' A' ' 11' ' ' LYS . 20.1 m -84.42 -28.04 27.17 Favored 'General case' 0 N--CA 1.448 -0.539 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.821 177.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.621 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -66.3 -11.44 50.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.191 0.519 . . . . 0.0 110.132 174.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 51.2 tttp -116.66 8.78 13.9 Favored 'General case' 0 N--CA 1.449 -0.477 0 CA-C-O 121.617 0.723 . . . . 0.0 109.302 176.332 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.434 ' HB2' ' HA ' ' A' ' 8' ' ' SER . 58.4 tttp -81.21 -64.09 1.26 Allowed 'General case' 0 N--CA 1.454 -0.261 0 CA-C-N 115.596 -0.729 . . . . 0.0 109.594 176.649 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 71.0 t80 -114.69 -32.21 5.91 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 121.167 0.508 . . . . 0.0 109.742 178.827 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -78.98 6.7 55.23 Favored Glycine 0 N--CA 1.448 -0.528 0 CA-C-N 115.547 -0.751 . . . . 0.0 113.02 -178.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 24.6 pttm -63.51 -27.42 69.25 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-O 121.152 0.501 . . . . 0.0 110.542 178.532 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -85.62 -27.48 25.41 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.919 176.09 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 87.4 t80 -76.3 -31.32 58.14 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 115.5 -0.773 . . . . 0.0 111.325 -177.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 13.6 p -68.52 -34.4 65.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 CA-C-O 121.332 0.587 . . . . 0.0 109.821 -178.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -79.26 -10.75 85.71 Favored Glycine 0 N--CA 1.441 -0.987 0 CA-C-N 115.43 -0.804 . . . . 0.0 111.447 174.916 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 37.5 tt0 -93.59 -43.85 8.49 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-O 121.241 0.543 . . . . 0.0 110.255 -175.722 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 17.0 tt -71.87 -28.51 30.57 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 CA-C-N 115.872 -0.604 . . . . 0.0 110.946 -179.816 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 24.7 ptt? -80.72 -10.04 59.76 Favored 'General case' 0 CA--C 1.529 0.162 0 N-CA-C 112.064 0.394 . . . . 0.0 112.064 -175.144 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 10.8 p30 -102.51 12.15 36.87 Favored 'General case' 0 N--CA 1.464 0.26 0 CA-C-O 121.355 0.598 . . . . 0.0 110.082 175.623 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 33.5 m . . . . . 0 C--O 1.245 0.86 0 CA-C-O 118.55 -0.738 . . . . 0.0 109.633 176.727 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.698 0 N-CA-C 111.786 -0.526 . . . . 0.0 111.786 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 23.5 pt -132.66 -40.31 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.703 0.287 . . . . 0.0 111.435 -179.217 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.21 4.38 86.23 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.869 -0.682 . . . . 0.0 112.609 -175.556 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 54.1 pttt -145.29 -1.9 0.8 Allowed 'General case' 0 C--N 1.323 -0.554 0 CA-C-O 121.02 0.438 . . . . 0.0 110.522 177.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -72.19 -20.63 61.55 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.337 178.133 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.594 ' HB3' ' HE2' ' A' ' 10' ' ' LYS . 3.1 mm? -105.17 8.47 34.1 Favored 'General case' 0 C--N 1.325 -0.475 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.166 -176.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 44.6 t60 -88.81 -56.43 3.3 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 115.818 -0.628 . . . . 0.0 109.712 177.553 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 5.2 p -85.84 -30.79 22.67 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 116.118 -0.492 . . . . 0.0 112.071 -176.571 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -60.31 -20.41 59.12 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-O 121.278 0.561 . . . . 0.0 110.175 176.249 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.594 ' HE2' ' HB3' ' A' ' 6' ' ' LEU . 65.7 mttm -103.64 -7.48 20.7 Favored 'General case' 0 N--CA 1.447 -0.608 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.681 -179.5 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 22.5 ttmm -101.28 -37.18 8.62 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-O 120.827 0.346 . . . . 0.0 110.697 178.68 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 11.5 t80 -125.55 22.76 7.58 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-O 122.088 0.947 . . . . 0.0 108.978 -174.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -136.3 -53.63 0.06 OUTLIER Glycine 0 N--CA 1.444 -0.818 0 CA-C-N 114.463 -1.244 . . . . 0.0 110.067 173.711 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 25.9 tptp -66.67 -41.84 87.53 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.975 0.417 . . . . 0.0 110.218 178.639 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -87.34 -25.56 23.81 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.992 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 82.6 t80 -81.91 -57.97 3.19 Favored 'General case' 0 C--O 1.233 0.196 0 CA-C-O 120.809 0.338 . . . . 0.0 110.971 -175.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.602 ' HA ' HG12 ' A' ' 20' ' ' ILE . 57.7 t -68.88 -27.03 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-O 121.087 0.47 . . . . 0.0 109.824 -177.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -64.06 -9.48 35.02 Favored Glycine 0 N--CA 1.451 -0.366 0 CA-C-N 115.32 -0.855 . . . . 0.0 113.44 -179.709 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -108.91 -49.54 3.13 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.932 0.396 . . . . 0.0 110.926 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.602 HG12 ' HA ' ' A' ' 17' ' ' VAL . 37.4 pt -63.74 -29.45 47.31 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 N-CA-C 112.841 0.682 . . . . 0.0 112.841 -170.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.452 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.2 ptt? -82.89 -8.38 59.58 Favored 'General case' 0 C--N 1.329 -0.285 0 C-N-CA 120.704 -0.399 . . . . 0.0 111.466 -176.482 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 73.4 m-20 -93.04 -21.29 19.82 Favored 'General case' 0 CA--C 1.517 -0.314 0 CA-C-O 120.832 0.348 . . . . 0.0 110.441 179.402 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 21.8 m . . . . . 0 C--O 1.248 0.974 0 CA-C-O 118.526 -0.75 . . . . 0.0 110.333 -176.479 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.417 ' HA2' ' CD1' ' A' ' 5' ' ' PHE . . . . . . . . 0 N--CA 1.481 1.674 0 N-CA-C 112.031 -0.428 . . . . 0.0 112.031 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.489 HG22 ' N ' ' A' ' 3' ' ' GLY . 36.4 mt 66.45 167.14 0.0 OUTLIER 'Isoleucine or valine' 0 CA--C 1.538 0.507 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 -174.431 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.489 ' N ' HG22 ' A' ' 2' ' ' ILE . . . 76.89 -76.82 1.55 Allowed Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.821 178.333 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 8.6 mtmp? -98.29 -20.56 17.14 Favored 'General case' 0 CA--C 1.516 -0.341 0 CA-C-O 120.92 0.391 . . . . 0.0 110.282 -175.238 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.417 ' CD1' ' HA2' ' A' ' 1' ' ' GLY . 63.6 m-85 -77.5 0.48 22.64 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.829 -0.623 . . . . 0.0 109.894 175.273 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.635 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 47.2 tp -85.44 -8.56 58.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.361 176.353 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 24.7 t60 -58.95 -54.94 41.47 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.093 -0.958 . . . . 0.0 110.359 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.407 ' O ' ' HB3' ' A' ' 12' ' ' PHE . 19.6 m -98.78 -5.46 31.2 Favored 'General case' 0 N--CA 1.446 -0.669 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.955 178.457 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.635 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -62.11 -26.79 68.5 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.067 0.46 . . . . 0.0 110.027 175.598 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . . . . . . . . . 88.2 tttt -91.1 -30.23 16.85 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.438 179.659 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 93.1 mttt -110.41 23.58 14.08 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 121.451 0.643 . . . . 0.0 110.669 -172.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.513 ' O ' ' HB2' ' A' ' 16' ' ' PHE . 91.8 t80 -161.71 -47.94 0.04 OUTLIER 'General case' 0 C--N 1.316 -0.888 0 CA-C-N 114.725 -1.125 . . . . 0.0 108.843 176.464 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -63.47 -60.97 6.72 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.753 -0.736 . . . . 0.0 112.683 -179.122 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 75.5 mmtt -57.45 -35.37 70.04 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-O 121.108 0.48 . . . . 0.0 111.298 -179.382 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -73.85 -42.42 60.83 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.732 -179.528 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.513 ' HB2' ' O ' ' A' ' 12' ' ' PHE . 9.9 t80 -67.09 -39.82 86.85 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 115.864 -0.607 . . . . 0.0 110.597 -177.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.642 ' HA ' HG12 ' A' ' 20' ' ' ILE . 32.6 m -72.3 -20.64 19.96 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.173 0 CA-C-O 121.055 0.455 . . . . 0.0 110.433 -179.339 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -71.89 -18.07 77.34 Favored Glycine 0 N--CA 1.442 -0.941 0 CA-C-N 115.709 -0.678 . . . . 0.0 111.521 175.758 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 41.9 mt-10 -93.45 -49.45 5.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 121.147 0.499 . . . . 0.0 110.139 179.339 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.642 HG12 ' HA ' ' A' ' 17' ' ' VAL . 18.6 pt -70.25 -10.48 13.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 115.888 -0.596 . . . . 0.0 111.67 -177.545 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 50.1 ttm -63.91 -39.9 95.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.132 0.491 . . . . 0.0 109.748 173.334 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -105.39 22.0 16.19 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.563 178.05 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.63 ' HB2' ' HA ' ' A' ' 20' ' ' ILE . 19.7 m . . . . . 0 C--O 1.246 0.883 0 CA-C-O 118.602 -0.713 . . . . 0.0 109.955 178.571 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.961 ' HA3' ' HB2' ' A' ' 5' ' ' PHE . . . . . . . . 0 N--CA 1.484 1.875 0 N-CA-C 111.732 -0.547 . . . . 0.0 111.732 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 55.2 mt -101.89 -70.25 0.74 Allowed 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-O 120.936 0.398 . . . . 0.0 110.249 -179.687 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -131.71 -29.87 0.56 Allowed Glycine 0 N--CA 1.448 -0.503 0 C-N-CA 120.877 -0.678 . . . . 0.0 112.567 178.714 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 98.3 mttt -81.65 -40.61 22.65 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 120.952 0.406 . . . . 0.0 110.13 -178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.961 ' HB2' ' HA3' ' A' ' 1' ' ' GLY . 80.5 m-85 -81.91 19.96 1.04 Allowed 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.378 0.609 . . . . 0.0 109.753 171.581 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 28.6 tp -121.35 -10.35 8.92 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.286 -0.87 . . . . 0.0 108.952 174.324 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 16.7 t-160 -72.97 -72.37 0.25 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.017 -0.992 . . . . 0.0 110.795 -174.423 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 6.0 p -90.05 -22.62 21.76 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.855 0.359 . . . . 0.0 111.274 -179.561 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -64.96 -13.53 57.65 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.158 176.692 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.423 ' HD3' ' HA ' ' A' ' 10' ' ' LYS . 30.3 mmtp -121.15 21.48 11.21 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.873 -0.603 . . . . 0.0 110.19 174.796 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 27.3 tptp -110.08 -61.67 1.62 Allowed 'General case' 0 C--N 1.323 -0.574 0 N-CA-C 108.507 -0.923 . . . . 0.0 108.507 170.398 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 97.5 m-85 -86.14 -32.17 21.43 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.605 -0.725 . . . . 0.0 109.178 175.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . . . . . . . . . . . -81.94 -0.51 89.58 Favored Glycine 0 N--CA 1.447 -0.58 0 CA-C-N 115.298 -0.865 . . . . 0.0 111.886 177.347 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . . . . . . . . . 59.9 tttm -60.94 -33.88 73.86 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.114 0.483 . . . . 0.0 110.122 177.735 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -100.26 26.35 6.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.055 -0.52 . . . . 0.0 110.623 179.017 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . . . . . . . . . 80.1 t80 -140.0 -59.05 0.55 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.727 179.748 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.666 ' HA ' HG22 ' A' ' 20' ' ' ILE . 44.9 t -71.11 -35.42 58.66 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-O 121.174 0.512 . . . . 0.0 110.239 -174.682 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -69.35 -5.7 50.54 Favored Glycine 0 N--CA 1.448 -0.51 0 CA-C-N 115.517 -0.765 . . . . 0.0 112.846 179.125 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 34.2 mt-10 -119.35 -30.42 4.91 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.815 0.308 . . . . 0.0 111.08 -179.104 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.666 HG22 ' HA ' ' A' ' 17' ' ' VAL . 11.1 tp -69.61 -24.41 27.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-O 121.124 0.488 . . . . 0.0 110.447 178.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 12.8 tpt -88.74 36.5 0.8 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 121.857 0.837 . . . . 0.0 109.785 177.632 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 7.1 t30 -141.26 -61.52 0.48 Allowed 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 115.228 -0.896 . . . . 0.0 109.175 175.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 62.6 m . . . . . 0 C--O 1.251 1.168 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.859 176.858 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.922 ' HA3' ' HB3' ' A' ' 5' ' ' PHE . . . . . . . . 0 N--CA 1.484 1.839 0 N-CA-C 111.869 -0.493 . . . . 0.0 111.869 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 10.5 tp -136.25 -22.64 0.55 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.083 0.468 . . . . 0.0 111.409 -178.117 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -87.36 -65.75 1.36 Allowed Glycine 0 N--CA 1.447 -0.632 0 C-N-CA 120.518 -0.849 . . . . 0.0 112.263 -179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 22.4 pttp -123.54 -21.7 5.2 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 121.011 -0.276 . . . . 0.0 111.428 -176.113 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.922 ' HB3' ' HA3' ' A' ' 1' ' ' GLY . 68.4 t80 -69.79 -9.96 56.59 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.847 -0.427 . . . . 0.0 109.847 178.324 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . . . . . . . . . 44.9 tp -71.2 -16.33 62.51 Favored 'General case' 0 N--CA 1.463 0.218 0 CA-C-O 121.389 0.614 . . . . 0.0 110.218 -178.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 28.5 m-70 -73.08 -21.49 60.76 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.601 -0.727 . . . . 0.0 109.981 175.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . 0.454 ' HA ' ' HB3' ' A' ' 11' ' ' LYS . 22.5 m -116.55 -19.38 10.06 Favored 'General case' 0 N--CA 1.445 -0.714 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.812 -178.676 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . . . . . . . . . . . -56.02 -25.98 46.91 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.288 0.566 . . . . 0.0 110.179 175.305 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.479 ' C ' ' HB2' ' A' ' 14' ' ' LYS . 15.7 ptpt -122.96 36.89 4.54 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.624 -0.717 . . . . 0.0 110.41 174.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . 0.454 ' HB3' ' HA ' ' A' ' 8' ' ' SER . 3.6 tppp? -123.92 -41.13 2.25 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.277 -0.874 . . . . 0.0 108.914 170.699 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . 0.423 ' CD2' ' HB3' ' A' ' 8' ' ' SER . 87.5 m-85 -91.96 -54.48 3.83 Favored 'General case' 0 N--CA 1.451 -0.386 0 CA-C-N 115.79 -0.641 . . . . 0.0 109.297 175.321 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.469 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -77.27 1.08 66.02 Favored Glycine 0 N--CA 1.449 -0.449 0 CA-C-N 115.546 -0.752 . . . . 0.0 112.905 179.596 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.479 ' HB2' ' C ' ' A' ' 10' ' ' LYS . 64.2 tttm -58.52 -40.61 83.38 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.983 0.42 . . . . 0.0 110.739 -179.857 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -81.63 7.81 11.36 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.805 -0.634 . . . . 0.0 110.754 -177.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.493 ' O ' HG22 ' A' ' 20' ' ' ILE . 98.1 m-85 -117.09 -54.76 2.39 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.336 177.259 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.408 HG12 ' O ' ' A' ' 13' ' ' GLY . 14.2 p -72.66 -33.05 43.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.213 0.53 . . . . 0.0 110.134 -174.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -88.29 6.62 83.33 Favored Glycine 0 N--CA 1.442 -0.903 0 N-CA-C 111.273 -0.731 . . . . 0.0 111.273 177.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 8.4 tp10 -110.75 -57.04 2.28 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.824 0.345 . . . . 0.0 110.533 -175.811 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.493 HG22 ' O ' ' A' ' 16' ' ' PHE . 10.8 tt -76.42 -29.99 19.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.461 -176.096 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 22.4 mmt -80.88 -25.78 37.36 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.958 0.408 . . . . 0.0 110.468 -178.489 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -131.44 78.48 1.83 Allowed 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.375 -179.516 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 C--O 1.252 1.189 0 CA-C-O 118.588 -0.72 . . . . 0.0 110.436 178.294 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.483 1.817 0 N-CA-C 112.646 -0.182 . . . . 0.0 112.646 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . 0.886 HG13 ' H ' ' A' ' 3' ' ' GLY . 10.5 tp -98.75 -151.62 0.06 OUTLIER 'Isoleucine or valine' 0 CA--C 1.541 0.613 0 N-CA-C 108.602 -0.888 . . . . 0.0 108.602 174.324 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . 0.886 ' H ' HG13 ' A' ' 2' ' ' ILE . . . -59.74 -10.08 11.88 Favored Glycine 0 CA--C 1.526 0.739 0 CA-C-N 118.515 0.598 . . . . 0.0 114.556 -176.529 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 19.1 pttp -89.12 -19.97 24.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 118.173 0.986 . . . . 0.0 110.197 -178.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 91.7 t80 -83.14 -8.9 59.44 Favored 'General case' 0 C--N 1.323 -0.585 0 N-CA-C 108.714 -0.847 . . . . 0.0 108.714 174.318 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.44 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 31.4 tp -82.35 -8.68 59.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.178 -0.919 . . . . 0.0 111.103 -172.452 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 30.4 m170 -65.74 -59.83 3.51 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 120.779 0.324 . . . . 0.0 110.412 178.832 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 66.9 m -87.1 -16.43 35.55 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.49 -0.323 . . . . 0.0 111.566 -177.89 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.44 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -67.49 -18.93 65.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 121.618 0.723 . . . . 0.0 109.235 171.707 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.45 ' O ' ' HB3' ' A' ' 14' ' ' LYS . 33.5 ttpt -100.92 3.64 41.91 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 114.921 -1.036 . . . . 0.0 109.546 177.73 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 88.6 tttt -92.44 -48.77 6.47 Favored 'General case' 0 C--N 1.326 -0.43 0 N-CA-C 109.688 -0.486 . . . . 0.0 109.688 178.137 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 45.2 t80 -103.94 -46.14 4.56 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.22 0.533 . . . . 0.0 110.205 178.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.683 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -76.11 0.61 62.46 Favored Glycine 0 N--CA 1.45 -0.382 0 C-N-CA 120.949 -0.643 . . . . 0.0 113.487 -175.267 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.45 ' HB3' ' O ' ' A' ' 10' ' ' LYS . 26.2 pttm -61.15 -29.45 69.79 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.935 0.367 . . . . 0.0 111.024 -179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -71.66 -30.78 66.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.433 178.11 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.683 ' HD2' ' HA2' ' A' ' 13' ' ' GLY . 90.9 m-85 -83.25 -50.62 8.23 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.74 -0.664 . . . . 0.0 110.686 -178.146 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.455 ' O ' ' HG2' ' A' ' 21' ' ' MET . 34.0 m -69.12 -24.75 28.44 Favored 'Isoleucine or valine' 0 CA--C 1.519 -0.239 0 CA-C-O 120.925 0.393 . . . . 0.0 110.464 -176.987 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -67.17 -16.16 66.37 Favored Glycine 0 N--CA 1.444 -0.808 0 CA-C-N 115.696 -0.684 . . . . 0.0 112.079 177.485 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -103.07 -34.77 8.77 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.813 0.339 . . . . 0.0 110.147 177.55 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . 0.449 HG13 ' O ' ' A' ' 16' ' ' PHE . 71.9 mt -60.25 -44.6 95.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.77 179.005 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.455 ' HG2' ' O ' ' A' ' 17' ' ' VAL . 26.6 ptm -84.28 8.35 16.25 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-O 121.193 0.521 . . . . 0.0 110.564 178.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -106.27 -23.51 12.54 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.115 176.854 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.0 m . . . . . 0 C--O 1.25 1.097 0 CA-C-O 118.75 -0.643 . . . . 0.0 110.513 -175.777 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.481 1.672 0 N-CA-C 112.327 -0.309 . . . . 0.0 112.327 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 48.6 mm -124.55 -44.36 1.51 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.431 0 CA-C-O 120.828 0.347 . . . . 0.0 110.49 -178.467 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . -138.28 6.05 3.31 Favored Glycine 0 N--CA 1.449 -0.485 0 C-N-CA 120.158 -1.02 . . . . 0.0 113.114 -177.69 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 28.6 mmtp -94.19 -15.21 24.81 Favored 'General case' 0 C--N 1.323 -0.574 0 O-C-N 122.229 -0.571 . . . . 0.0 111.012 179.373 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . . . . . . . . . 41.7 p90 -89.83 1.8 55.73 Favored 'General case' 0 C--N 1.321 -0.668 0 N-CA-C 108.901 -0.777 . . . . 0.0 108.901 170.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.865 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 36.6 tp -72.49 -11.74 60.79 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.379 -0.828 . . . . 0.0 110.631 -178.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 20.4 m-70 -62.39 -52.29 64.18 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.03 0.443 . . . . 0.0 109.818 177.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 13.3 m -83.58 -22.11 32.42 Favored 'General case' 0 N--CA 1.448 -0.55 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.489 177.63 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.865 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -68.34 -8.34 39.11 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 121.142 0.496 . . . . 0.0 110.322 175.164 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.401 ' O ' ' HB2' ' A' ' 14' ' ' LYS . 61.3 mtpt -112.48 -14.92 13.18 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.009 -0.541 . . . . 0.0 110.569 172.782 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 25.3 tptp -84.91 -55.62 3.98 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 89.7 m-85 -105.87 -36.34 7.03 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.517 -0.765 . . . . 0.0 109.477 178.524 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.781 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -73.57 -4.84 66.51 Favored Glycine 0 N--CA 1.447 -0.591 0 CA-C-N 115.15 -0.932 . . . . 0.0 113.159 -176.737 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.503 ' HA ' HG12 ' A' ' 17' ' ' VAL . 64.2 tttm -59.94 -30.23 68.93 Favored 'General case' 0 CA--C 1.53 0.205 0 CA-C-N 117.178 0.489 . . . . 0.0 110.43 179.081 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -75.12 -11.6 60.12 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.002 178.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.781 ' HD2' ' HA2' ' A' ' 13' ' ' GLY . 87.3 m-85 -103.87 -47.58 4.16 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.596 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.503 HG12 ' HA ' ' A' ' 14' ' ' LYS . 13.2 p -68.96 -32.75 55.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 N-CA-C 109.052 -0.721 . . . . 0.0 109.052 178.535 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -84.21 16.29 34.52 Favored Glycine 0 N--CA 1.444 -0.798 0 CA-C-N 115.394 -0.821 . . . . 0.0 111.479 176.004 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . 0.483 ' HA ' ' ND2' ' A' ' 22' ' ' ASN . 9.5 tp10 -122.15 -43.5 2.32 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 109.127 -0.694 . . . . 0.0 109.127 176.229 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 68.2 mt -63.65 -35.5 73.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.464 176.882 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 85.9 mtp -71.88 -8.74 56.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.345 -0.389 . . . . 0.0 111.513 179.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.483 ' ND2' ' HA ' ' A' ' 19' ' ' GLU . 78.7 m-20 -82.2 -12.37 58.16 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.693 -0.484 . . . . 0.0 109.693 176.832 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.1 t . . . . . 0 C--O 1.248 1.022 0 CA-C-O 118.709 -0.662 . . . . 0.0 109.792 -178.883 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . 0.678 ' HA2' ' HB2' ' A' ' 5' ' ' PHE . . . . . . . . 0 N--CA 1.478 1.496 0 N-CA-C 111.906 -0.477 . . . . 0.0 111.906 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ILE . . . . . . . . . . . . . 74.9 mt 68.65 140.19 0.01 OUTLIER 'Isoleucine or valine' 0 CA--C 1.535 0.369 0 CA-C-O 121.312 0.577 . . . . 0.0 111.126 -177.864 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' GLY . . . . . . . . . . . . . . . 80.02 -76.21 2.07 Favored Glycine 0 N--CA 1.447 -0.595 0 C-N-CA 121.081 -0.58 . . . . 0.0 113.249 176.227 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' LYS . . . . . . . . . . . . . 20.3 pttp -114.17 -7.81 13.0 Favored 'General case' 0 CA--C 1.515 -0.399 0 CA-C-O 120.798 0.332 . . . . 0.0 111.224 -170.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' PHE . . . . . 0.678 ' HB2' ' HA2' ' A' ' 1' ' ' GLY . 89.3 t80 -68.49 -19.94 64.57 Favored 'General case' 0 C--N 1.324 -0.518 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 171.159 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' LEU . . . . . 0.431 ' HA ' ' HB3' ' A' ' 9' ' ' ALA . 3.3 mm? -83.72 -15.89 46.96 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.583 -0.735 . . . . 0.0 110.042 179.619 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' HIS . . . . . . . . . . . . . 14.0 t-80 -77.3 -33.38 55.66 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 109.328 -0.619 . . . . 0.0 109.328 176.257 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' SER . . . . . . . . . . . . . 2.8 p -84.63 -29.62 25.59 Favored 'General case' 0 N--CA 1.449 -0.506 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.482 175.722 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ALA . . . . . 0.431 ' HB3' ' HA ' ' A' ' 6' ' ' LEU . . . -63.69 -15.78 59.32 Favored 'General case' 0 C--N 1.328 -0.335 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 169.773 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' LYS . . . . . 0.56 ' HA ' ' HB3' ' A' ' 14' ' ' LYS . 50.4 mttp -113.67 16.3 18.64 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.749 172.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LYS . . . . . . . . . . . . . 38.6 ttpt -102.34 -51.49 3.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.978 0.418 . . . . 0.0 110.155 176.13 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PHE . . . . . . . . . . . . . 51.8 p90 -123.56 -4.15 8.26 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 116.044 -0.525 . . . . 0.0 111.147 -177.055 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' GLY . . . . . 0.558 ' HA2' ' HD2' ' A' ' 16' ' ' PHE . . . -125.7 13.09 7.31 Favored Glycine 0 N--CA 1.444 -0.77 0 C-N-CA 120.683 -0.77 . . . . 0.0 111.855 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LYS . . . . . 0.56 ' HB3' ' HA ' ' A' ' 10' ' ' LYS . 14.2 ptmm? -64.25 -30.46 71.52 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 120.778 0.323 . . . . 0.0 110.209 -177.401 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ALA . . . . . . . . . . . . . . . -72.89 -21.72 60.87 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 115.871 -0.604 . . . . 0.0 110.633 177.455 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' PHE . . . . . 0.558 ' HD2' ' HA2' ' A' ' 13' ' ' GLY . 98.4 m-85 -90.25 -44.63 9.6 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.793 -179.172 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.532 HG22 ' HA ' ' A' ' 14' ' ' LYS . 32.8 m -71.14 -23.11 23.03 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.375 0 CA-C-O 120.985 0.421 . . . . 0.0 110.519 -178.2 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' GLY . . . . . . . . . . . . . . . -74.32 -6.38 75.14 Favored Glycine 0 N--CA 1.445 -0.702 0 CA-C-N 115.818 -0.628 . . . . 0.0 112.477 178.462 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -123.67 -61.76 1.36 Allowed 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 120.786 0.327 . . . . 0.0 110.568 179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ILE . . . . . . . . . . . . . 62.1 mt -61.12 -45.11 99.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.249 -177.029 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 25.2 mmt -105.57 42.94 1.17 Allowed 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.755 -177.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 51.6 t30 -150.45 -52.27 0.14 Allowed 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.771 -177.833 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 20.9 m . . . . . 0 C--O 1.25 1.091 0 CA-C-O 118.734 -0.65 . . . . 0.0 110.064 -179.463 . . . . . . . . 0 0 . 1 stop_ save_