data_2muw_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 2muw _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.7 t . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.983 0.42 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.66 -43.89 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.252 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.57 94.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.51 -50.26 68.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.534 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -61.96 -42.1 98.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.673 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.49 -42.45 96.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.655 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.95 -45.02 99.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.718 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.9 -50.83 38.46 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.344 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.4 HD13 HG22 ' A' ' 35' ' ' ILE . 97.1 mt -64.85 -43.95 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.624 0.25 . . . . 0.0 111.008 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.89 -46.38 89.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.975 0.417 . . . . 0.0 110.88 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.409 ' CD2' ' C ' ' A' ' 37' ' ' HIS . 8.4 t60 -59.68 -39.55 84.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.212 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.31 -38.01 87.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.814 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 90.2 mt -59.93 -45.53 95.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.13 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.17 -44.34 60.09 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.46 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.403 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 85.1 t90 -65.78 -40.04 91.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.996 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.54 -43.38 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.329 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.6 mt -61.52 -39.84 92.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.426 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.3 t70 . . . . . 0 C--N 1.324 -0.531 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.618 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 97.7 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.842 0.353 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.72 94.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.478 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.66 -50.2 68.76 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.663 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -61.91 -41.92 98.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.604 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.412 HD12 HG23 ' B' ' 32' ' ' ILE . 96.5 mt -63.56 -42.4 96.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.714 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.02 -44.99 99.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.739 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.09 -50.75 37.92 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.278 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.73 -44.01 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.63 0.252 . . . . 0.0 111.002 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.9 -46.42 89.44 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.973 0.416 . . . . 0.0 110.922 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.405 ' CD2' ' C ' ' B' ' 37' ' ' HIS . 8.3 t60 -59.57 -39.61 84.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.286 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.34 -38.04 87.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.793 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.92 -45.56 95.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.109 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.3 mt -73.08 -44.48 60.42 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.482 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -65.71 -39.98 91.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.05 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.52 -43.31 96.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.363 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.55 -39.9 92.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.448 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 C--N 1.323 -0.546 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.676 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 96.3 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.837 0.351 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.55 94.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.6 -50.25 68.51 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.585 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 51.6 m -62.0 -42.05 98.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.667 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.49 -42.4 96.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.718 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.9 -45.06 98.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.757 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.15 -50.67 38.08 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.377 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.79 -43.87 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.671 0.272 . . . . 0.0 111.008 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.97 -46.46 89.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.91 0.386 . . . . 0.0 110.874 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.41 ' CD2' ' C ' ' C' ' 37' ' ' HIS . 8.3 t60 -59.65 -39.45 84.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.266 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.34 -38.03 87.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.822 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.94 -45.56 95.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.084 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.15 -44.46 60.04 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.458 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.402 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 85.2 t90 -65.69 -39.96 91.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.019 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.48 -43.39 96.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.277 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.65 -39.82 92.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.456 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--N 1.324 -0.533 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.649 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.3 t . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.912 0.386 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.75 -43.81 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.328 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.67 94.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.56 -50.19 68.55 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.551 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 53.7 m -61.99 -42.02 98.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.611 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.413 HD12 HG23 ' D' ' 32' ' ' ILE . 96.6 mt -63.56 -42.4 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.742 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.0 -45.07 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.718 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.01 -50.71 38.68 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.29 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.87 -43.91 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.023 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.95 -46.41 89.41 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.859 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.41 ' CD2' ' C ' ' D' ' 37' ' ' HIS . 8.2 t60 -59.58 -39.58 84.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.216 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.38 -38.02 87.97 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.6 mt -59.91 -45.47 95.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.084 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 87.3 mt -73.17 -44.53 59.76 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.451 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -65.64 -40.04 92.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.984 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.46 -43.31 96.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.362 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.73 -39.74 92.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.413 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--N 1.324 -0.529 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.598 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.9 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.99 0.424 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.9 t -65.6 -43.8 93.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.191 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.92 -40.62 96.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.561 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.55 -49.36 72.87 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.475 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -62.11 -41.78 98.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.509 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.82 -42.34 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.2 mt -61.43 -44.56 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.932 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.11 -51.75 42.22 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.336 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.92 -44.52 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.727 0.298 . . . . 0.0 111.232 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.44 -44.42 94.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.639 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.416 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 8.2 t60 -60.34 -40.84 92.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.127 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.429 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 11.9 mt -61.23 -39.36 90.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.152 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.25 -44.31 98.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.893 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.437 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 4.0 mm? -72.43 -43.41 63.85 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.348 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -69.31 -43.11 74.43 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.9 tt -63.84 -41.02 91.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.323 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.97 -44.13 97.4 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.791 0.329 . . . . 0.0 110.219 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 C--N 1.331 -0.222 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.332 179.871 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.909 0.385 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.41 95.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.551 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.57 -49.46 72.66 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.415 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.6 m -62.03 -41.85 98.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.52 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.79 -42.33 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.714 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.55 -44.42 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.804 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.28 -51.64 42.13 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.325 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.93 -44.61 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.703 0.287 . . . . 0.0 111.244 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.32 -44.42 95.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.624 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.432 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 8.2 t60 -60.38 -40.77 92.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.102 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.416 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 12.1 mt -61.42 -39.33 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.092 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.21 -44.35 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.851 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.436 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 4.0 mm? -72.36 -43.35 64.15 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.406 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -69.49 -43.12 73.79 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 17.9 tt -63.65 -41.13 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.435 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -44.2 97.36 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.895 0.379 . . . . 0.0 110.255 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 C--N 1.33 -0.255 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.369 179.921 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.847 0.356 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.46 95.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.573 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.54 -49.48 72.53 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.398 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 50.4 m -62.04 -41.79 98.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.565 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.88 -42.28 95.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.693 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.49 -44.48 98.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.813 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.2 -51.75 41.75 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.369 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.89 -44.58 92.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.669 0.271 . . . . 0.0 111.256 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.31 -44.47 94.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.378 . . . . 0.0 110.64 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.41 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 8.1 t60 -60.37 -40.75 91.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.06 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.432 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 11.9 mt -61.42 -39.29 90.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.114 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.22 -44.37 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.92 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.437 ' N ' ' CD2' ' C' ' 40' ' ' LEU . 4.0 mm? -72.31 -43.48 64.1 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.367 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -69.39 -43.02 74.35 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 17.8 tt -63.8 -41.01 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.417 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -44.21 97.2 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.17 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 C--N 1.331 -0.204 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.363 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 73.7 t . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.891 0.376 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.56 -43.81 94.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.287 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.63 96.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.586 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.59 -49.4 72.86 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.407 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -62.06 -41.77 98.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.595 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.92 -42.25 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.669 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.45 -44.56 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.892 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.12 -51.78 41.94 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.38 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.82 -44.62 92.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.689 0.281 . . . . 0.0 111.256 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.34 -44.44 94.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.637 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.429 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 8.2 t60 -60.38 -40.79 92.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.071 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.41 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 12.1 mt -61.42 -39.33 90.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.097 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.27 -44.33 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 119.89 -0.724 . . . . 0.0 109.911 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . 0.439 ' N ' ' CD2' ' D' ' 40' ' ' LEU . 4.0 mm? -72.28 -43.33 64.41 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.391 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 73.3 t90 -69.55 -42.98 73.85 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 17.9 tt -63.88 -40.91 90.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.402 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -44.3 97.13 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 110.235 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 C--N 1.331 -0.216 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.385 179.877 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.3 t . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.005 0.431 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.1 t -64.57 -44.38 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.326 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.12 95.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.49 -50.02 68.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.519 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.0 t -62.91 -42.67 99.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.588 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.12 -42.4 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.642 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.2 mt -60.38 -44.79 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.815 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.65 -51.91 38.2 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.381 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.41 HG21 HD13 ' A' ' 35' ' ' ILE . 97.0 mt -65.28 -43.43 95.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.679 0.276 . . . . 0.0 111.237 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.19 -46.38 90.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.432 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.7 t60 -59.85 -40.1 87.43 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.098 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.421 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 9.2 mt -60.86 -39.19 88.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.18 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.103 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp -72.81 -44.66 61.21 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.187 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 76.9 t90 -66.45 -46.44 76.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.504 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.409 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 16.3 tt -65.9 -32.64 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.412 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.56 -45.99 91.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.502 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.054 0.454 . . . . 0.0 110.371 -179.893 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.848 0.356 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.96 95.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.6 -50.02 69.04 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.457 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 38.6 t -62.88 -42.74 99.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 110.622 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.13 -42.33 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.636 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 69.5 mt -60.59 -44.74 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.707 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.5 -51.95 38.67 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.463 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.28 -43.51 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 111.26 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.17 -46.38 90.72 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.068 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.433 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.6 t60 -59.9 -40.03 87.41 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.047 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.432 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 9.0 mt -60.72 -39.27 88.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.1 -44.64 99.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.144 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.0 mp -72.88 -44.64 61.07 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.138 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.414 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 77.0 t90 -66.17 -46.73 76.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.531 -179.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.419 ' CG2' ' O ' ' B' ' 38' ' ' LEU . 16.3 tt -65.88 -32.51 58.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.846 0.355 . . . . 0.0 110.487 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.58 -45.89 92.26 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.599 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--N 1.33 -0.276 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.266 -179.893 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 83.5 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.865 0.364 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.99 95.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.551 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.08 68.74 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.453 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 38.9 t -62.84 -42.72 99.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.632 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.11 -42.27 95.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.635 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 69.0 mt -60.56 -44.7 97.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.822 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.59 -52.02 37.64 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.337 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.17 -43.55 95.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.735 0.302 . . . . 0.0 111.163 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.19 -46.41 90.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.059 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.454 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.6 t60 -59.87 -40.05 87.35 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.078 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.433 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 9.3 mt -60.85 -39.21 88.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.027 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.23 -44.49 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.175 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp -72.87 -44.81 60.89 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.999 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 76.8 t90 -66.19 -46.57 76.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.504 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.41 ' CG2' ' O ' ' C' ' 38' ' ' LEU . 16.4 tt -65.88 -32.63 58.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.374 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.58 -45.95 92.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.571 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--N 1.33 -0.246 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.426 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 83.4 t . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.977 0.418 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 82.3 t -64.74 -44.34 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.26 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.03 95.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.481 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.43 -50.03 68.59 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.573 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 38.7 t -62.91 -42.62 99.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.752 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.16 -42.32 96.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.615 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.55 -44.75 97.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.835 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.51 -52.04 37.92 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.374 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . 0.418 HD13 HG21 ' D' ' 35' ' ' ILE . 97.0 mt -65.13 -43.52 95.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.766 0.317 . . . . 0.0 111.254 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.17 -46.5 90.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.037 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.421 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.7 t60 -60.0 -39.89 87.32 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.101 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 8.9 mt -60.79 -39.26 88.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.16 -44.44 99.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.226 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 11.0 mp -72.96 -44.64 60.88 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.979 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.416 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 77.4 t90 -66.14 -46.63 76.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.563 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.416 ' CG2' ' O ' ' D' ' 38' ' ' LEU . 16.3 tt -66.02 -32.55 58.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.415 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.56 -45.95 91.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.528 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--N 1.329 -0.312 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.332 -179.911 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.0 t . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.902 0.382 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.49 -44.38 96.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.8 90.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.718 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.62 -49.46 67.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.574 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.0 p -64.46 -41.26 96.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.74 -42.42 95.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.537 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.13 -43.99 97.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.785 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.85 -52.56 41.13 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.39 -44.11 90.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.691 0.282 . . . . 0.0 110.77 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.49 -46.84 88.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.215 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.437 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.4 t60 -61.9 -39.02 90.54 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.49 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.443 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 11.9 mt -61.45 -40.21 93.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.371 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.66 -43.34 96.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.08 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.446 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 4.2 mm? -73.39 -44.24 58.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.092 0.473 . . . . 0.0 111.227 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.409 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 75.5 t90 -67.89 -46.76 70.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.543 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.424 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 16.5 tt -64.27 -34.52 69.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.359 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.3 tp -61.34 -42.8 99.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.331 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.427 -179.801 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.5 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.813 0.339 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.5 90.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.601 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.11 -49.25 69.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.7 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -64.73 -40.93 96.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.727 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.99 -42.56 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.519 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 70.3 mt -60.94 -44.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.672 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.57 -52.98 38.24 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.337 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.03 -44.25 92.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.23 -47.35 86.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.165 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.422 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.6 t60 -61.28 -39.19 89.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.597 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.437 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 12.0 mt -61.27 -40.3 93.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.498 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.6 -43.25 96.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.11 0.481 . . . . 0.0 110.15 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 4.2 mm? -73.6 -44.04 58.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.015 0.436 . . . . 0.0 111.174 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -67.99 -46.58 70.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.503 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.43 ' CG2' ' O ' ' B' ' 38' ' ' LEU . 16.8 tt -64.47 -34.25 68.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.28 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.69 -42.74 99.35 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.299 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 65.3 t0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.459 -179.591 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 89.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.75 0.309 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.46 -38.54 90.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.677 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.02 -49.27 69.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.633 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 78.4 p -64.48 -41.35 96.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.808 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.78 -42.46 95.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.438 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 69.3 mt -60.88 -44.26 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.734 -179.561 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.49 -52.61 41.8 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.469 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.9 mt -66.49 -44.15 90.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.713 0.292 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.22 -47.16 87.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.927 0.394 . . . . 0.0 111.205 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.454 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.4 t60 -61.65 -39.18 90.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.621 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.422 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 11.8 mt -61.31 -40.07 92.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.372 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.83 -43.33 97.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.106 0.479 . . . . 0.0 110.217 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.444 ' N ' ' CD2' ' C' ' 40' ' ' LEU . 4.2 mm? -73.45 -43.8 59.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.087 0.47 . . . . 0.0 111.186 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.407 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 75.9 t90 -68.31 -46.78 69.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.486 -179.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.422 ' CG2' ' O ' ' C' ' 38' ' ' LEU . 16.7 tt -64.26 -34.17 67.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.236 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 48.4 tp -61.68 -42.93 99.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.266 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 66.1 t0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.342 -179.554 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 88.3 t . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.889 0.376 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.1 t -64.59 -44.23 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.426 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.4 89.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.711 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.29 -49.65 69.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.694 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -63.99 -41.35 97.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 110.783 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.81 -42.6 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.474 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 69.1 mt -60.87 -44.04 96.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.773 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.81 -52.51 41.7 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.374 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.39 -44.3 90.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.801 0.334 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.17 -47.37 86.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.443 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.4 t60 -61.27 -39.49 90.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.456 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 11.9 mt -61.08 -40.3 93.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.474 -179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.6 -43.41 96.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 121.045 0.45 . . . . 0.0 110.08 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . 0.442 ' N ' ' CD2' ' D' ' 40' ' ' LEU . 4.2 mm? -73.39 -43.93 59.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.144 0.497 . . . . 0.0 111.226 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.412 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 75.6 t90 -68.09 -47.02 69.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.451 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.429 ' CG2' ' O ' ' D' ' 38' ' ' LEU . 16.6 tt -64.14 -34.33 68.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.309 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 tp -61.48 -42.95 99.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.412 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 64.2 t0 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.394 -179.74 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.0 t . . . . . 0 C--O 1.236 0.382 0 CA-C-O 121.213 0.53 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.81 -47.14 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.269 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.04 -41.55 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.426 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.38 79.49 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.511 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.2 m -61.31 -46.29 90.91 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.481 ' N ' ' CD1' ' A' ' 32' ' ' ILE . 1.4 mp -66.76 -42.48 89.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.576 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.5 mt -58.32 -47.97 86.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.84 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.3 -48.87 35.66 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.472 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.401 HD13 HG23 ' A' ' 35' ' ' ILE . 97.2 mt -64.13 -44.58 97.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.678 0.275 . . . . 0.0 110.913 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.73 -44.69 95.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.952 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' A' ' 37' ' ' HIS . 7.8 t60 -59.57 -41.07 89.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.29 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.402 ' O ' ' CG1' ' A' ' 42' ' ' ILE . 18.7 mt -62.18 -40.2 95.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.0 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.1 mt -59.23 -48.71 85.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.662 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.7 tp -72.27 -44.3 63.02 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.062 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -64.44 -36.51 84.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.709 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' A' ' 38' ' ' LEU . 2.8 mm -63.2 -43.52 98.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.58 -40.63 92.44 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.461 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 67.6 t0 . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.519 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 C--O 1.225 -0.228 0 CA-C-O 120.733 0.301 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.04 -41.93 65.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.578 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.46 -42.56 78.39 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.589 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 55.9 m -61.03 -46.15 91.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.484 ' N ' ' CD1' ' B' ' 32' ' ' ILE . 1.4 mp -67.32 -42.14 87.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.452 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 68.1 mt -58.49 -47.69 87.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.746 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.55 -48.84 34.03 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.456 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.24 -44.55 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.302 . . . . 0.0 110.885 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.76 -44.65 95.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.947 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -59.63 -41.06 89.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.35 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.22 -40.07 94.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.1 mt -59.19 -48.78 85.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.674 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -72.4 -44.17 62.86 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.042 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -64.39 -36.56 84.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.722 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.39 -43.58 98.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.3 -40.67 91.33 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.452 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' B' ' 44' ' ' ASP . 67.5 t0 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.423 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 80.1 t . . . . . 0 C--O 1.226 -0.163 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.37 -41.72 63.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.49 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.66 -42.64 79.32 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.537 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 56.8 m -61.03 -46.14 91.94 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.484 ' CD1' ' N ' ' C' ' 32' ' ' ILE . 1.4 mp -67.04 -42.35 88.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.471 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.43 -47.81 86.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.828 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.43 -48.78 35.21 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.48 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.26 -44.66 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.637 0.256 . . . . 0.0 111.012 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.61 -44.8 95.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.854 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.405 ' CD2' ' C ' ' C' ' 37' ' ' HIS . 7.7 t60 -59.41 -41.12 88.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.425 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.11 -40.33 95.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.03 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.7 mt -59.13 -48.84 85.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.551 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.9 tp -72.15 -44.55 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.019 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -63.98 -36.76 85.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.804 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.25 -43.57 98.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.804 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.44 -40.63 91.8 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.319 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' C' ' 44' ' ' ASP . 67.3 t0 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.542 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 81.1 t . . . . . 0 C--O 1.236 0.38 0 CA-C-O 121.099 0.476 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 78.6 t -62.79 -47.34 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.2 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.94 -41.33 64.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.49 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.04 -42.46 80.53 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 53.5 m -61.0 -46.09 92.18 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.485 ' N ' ' CD1' ' D' ' 32' ' ' ILE . 1.4 mp -67.21 -42.17 87.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.56 -47.45 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.93 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.73 -48.64 33.8 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 120.636 -0.793 . . . . 0.0 111.478 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.38 -44.65 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.682 0.277 . . . . 0.0 110.892 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.74 -44.7 95.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.925 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.407 ' CD2' ' C ' ' D' ' 37' ' ' HIS . 7.5 t60 -59.43 -41.21 89.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.401 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 18.4 mt -62.03 -40.1 94.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.182 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 93.7 mt -59.21 -48.7 85.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.612 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.9 tp -72.45 -44.28 62.58 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.032 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -64.29 -36.67 84.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.78 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.19 -43.9 99.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.847 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 52.7 tp -60.21 -40.52 90.4 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.451 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 67.6 t0 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.458 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.9 t . . . . . 0 C--O 1.234 0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.33 -44.18 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.364 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.66 -39.81 95.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.483 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.65 -49.91 69.45 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.291 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.7 t -62.32 -42.99 99.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.784 179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.03 -42.36 96.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.739 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.3 mt -61.14 -44.4 98.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.91 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.47 -52.5 39.09 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.377 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.401 HG21 HD11 ' A' ' 35' ' ' ILE . 97.1 mt -65.83 -44.37 92.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-O 120.704 0.288 . . . . 0.0 111.298 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.15 -45.88 89.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.887 0.375 . . . . 0.0 110.695 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.425 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.9 t60 -60.15 -40.48 90.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.232 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.434 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 11.1 mt -60.52 -40.07 90.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.171 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.46 -44.81 99.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.0 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.43 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 4.1 mm? -70.51 -43.49 69.55 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.173 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -69.27 -46.91 66.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.693 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 15.1 tt -65.2 -40.79 89.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.194 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.413 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 49.4 tp -62.73 -40.88 98.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.524 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.411 -179.682 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.9 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.935 0.398 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.9 95.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.363 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.48 -50.03 68.72 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.332 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -62.38 -42.91 99.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.797 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.06 -42.37 96.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.72 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.1 -44.47 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.832 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.61 -52.42 39.21 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.281 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.42 HG21 HD11 ' B' ' 35' ' ' ILE . 97.1 mt -65.75 -44.6 93.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.664 0.268 . . . . 0.0 111.158 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.93 -45.98 89.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.708 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.435 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.9 t60 -60.23 -40.39 90.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.265 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.425 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 11.1 mt -60.59 -40.02 90.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.38 -44.83 99.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.102 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . 0.424 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 4.1 mm? -70.56 -43.66 69.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.231 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -68.99 -47.1 66.38 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.635 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 15.1 tt -65.04 -40.92 90.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.28 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 49.0 tp -62.77 -40.89 98.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.428 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 68.0 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.369 -179.493 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.931 0.396 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.96 95.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.453 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.13 68.64 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.222 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -62.22 -42.99 99.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.803 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.85 -42.55 96.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 75.7 mt -61.12 -44.39 98.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.821 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.42 -52.6 38.45 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.353 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.81 -44.51 92.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 120.677 0.275 . . . . 0.0 111.197 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.99 -46.04 89.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.9 0.381 . . . . 0.0 110.75 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.418 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 8.0 t60 -60.12 -40.32 89.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.236 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.435 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 11.0 mt -60.59 -40.06 90.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.241 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.33 -45.0 99.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.987 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . 0.434 ' N ' ' CD2' ' C' ' 40' ' ' LEU . 4.1 mm? -70.46 -43.37 69.98 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.205 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 73.3 t90 -69.29 -47.04 65.72 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 111.709 0.262 . . . . 0.0 111.709 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 15.1 tt -65.0 -40.85 90.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.928 0.394 . . . . 0.0 110.303 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.403 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 48.5 tp -62.79 -40.86 98.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.457 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 67.8 t0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.357 -179.466 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.234 0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.36 -44.25 94.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.35 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.92 95.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.457 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.61 -49.94 69.26 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.244 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -62.4 -42.98 99.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.722 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.09 -42.34 96.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.704 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 75.0 mt -60.97 -44.52 98.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.912 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.52 -52.43 39.49 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.552 -0.832 . . . . 0.0 111.316 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.87 -44.5 92.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.656 0.265 . . . . 0.0 111.212 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.92 -46.02 89.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.809 0.338 . . . . 0.0 110.726 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.434 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 8.0 t60 -60.25 -40.46 90.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.233 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.418 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 11.3 mt -60.41 -40.0 89.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.55 -44.82 99.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.084 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' D' ' 40' ' ' LEU . 4.1 mm? -70.38 -43.57 69.82 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.218 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -69.24 -46.97 66.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.768 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 15.1 tt -64.99 -40.92 90.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.919 0.39 . . . . 0.0 110.302 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 49.5 tp -62.68 -40.84 98.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.561 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.356 -179.464 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 81.6 t . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.1 t -66.35 -45.08 90.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.549 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.39 85.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.631 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.66 79.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.872 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.3 p -63.09 -39.97 96.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.809 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.401 HD11 HG21 ' A' ' 32' ' ' ILE . 91.8 mt -63.94 -43.32 97.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.623 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 33' ' ' ILE . 80.8 mt -57.47 -44.27 84.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.786 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.6 -46.45 47.26 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.659 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.99 -50.75 78.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 111.196 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.24 -43.07 99.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.234 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -60.28 -40.44 90.42 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.416 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.42 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 12.9 mt -61.25 -40.11 92.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.085 -179.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.07 -44.87 99.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.284 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt -72.74 -44.16 62.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.04 0.448 . . . . 0.0 110.805 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -65.43 -36.01 82.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.813 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mm -63.65 -44.67 98.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.463 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.0 mt -61.98 -41.14 97.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.575 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.4 t0 . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.555 -179.921 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.809 0.338 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.04 -44.09 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.707 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.81 -47.6 79.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.797 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 78.0 p -63.28 -40.35 97.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.435 HD11 HG21 ' B' ' 32' ' ' ILE . 89.4 mt -63.61 -43.68 98.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.413 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 80.4 mt -57.09 -44.51 83.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.855 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.2 -46.51 49.93 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.643 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.16 -50.22 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.841 0.353 . . . . 0.0 111.293 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.8 -42.61 97.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.206 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.41 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.3 t60 -60.72 -40.51 92.62 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.274 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.04 -40.18 92.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.051 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.25 -44.89 99.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.233 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.87 -44.22 61.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.032 0.444 . . . . 0.0 110.796 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -65.43 -35.56 81.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.72 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mm -63.93 -44.72 98.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.39 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.97 -41.13 97.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 63.9 t0 . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.566 -179.876 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.827 0.346 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.76 -44.15 85.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.709 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.83 -47.83 79.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.82 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -62.93 -40.36 97.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.772 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.59 -43.31 98.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.497 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.62 -44.35 85.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.901 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.42 -46.38 49.01 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.541 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.06 -50.36 79.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.893 0.377 . . . . 0.0 111.346 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.66 -42.65 98.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.125 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.421 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 8.0 t60 -60.67 -40.29 91.57 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.387 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.41 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 12.8 mt -61.37 -39.92 92.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.989 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.41 -45.1 99.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.312 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -72.65 -44.26 62.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.987 0.423 . . . . 0.0 110.723 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -65.27 -35.95 82.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.772 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mm -63.71 -44.63 98.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.464 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.86 -41.21 97.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.65 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 62.7 t0 . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.535 -179.859 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 79.2 t . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.0 t -66.34 -45.16 90.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.586 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.47 -44.65 85.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.574 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.33 -47.95 77.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.807 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 76.7 p -62.9 -40.54 97.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.56 -43.58 98.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.552 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 80.5 mt -57.26 -44.17 83.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.94 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.55 -46.52 47.22 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.694 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.93 -50.57 79.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.872 0.367 . . . . 0.0 111.215 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.49 -42.96 98.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.217 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.42 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.5 t60 -60.27 -40.56 90.81 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.228 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.421 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 13.2 mt -61.13 -40.08 92.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.144 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.15 -44.92 99.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.309 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -72.73 -44.15 62.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.186 0.517 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -65.56 -35.64 81.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.806 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mm -63.93 -44.77 98.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.316 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 73.8 mt -61.85 -41.26 97.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 62.8 t0 . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.608 -179.841 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . 0.44 ' CG2' ' N ' ' A' ' 28' ' ' VAL . 3.2 m . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.184 0.516 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.44 ' N ' ' CG2' ' A' ' 27' ' ' VAL . 87.9 t -62.17 -44.23 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.249 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -37.39 86.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.225 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.03 -48.3 70.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.597 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 77.1 p -66.05 -40.4 90.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.984 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.11 -42.36 94.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.714 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.8 mt -59.45 -43.89 91.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.573 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.78 -48.19 79.21 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.403 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 4.8 mm -65.99 -48.41 81.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.997 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.9 tp -59.53 -45.42 91.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.057 0.456 . . . . 0.0 111.226 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.425 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 8.7 t60 -59.22 -37.53 77.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.303 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.38 -41.0 96.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.403 ' CD1' ' O ' ' A' ' 35' ' ' ILE . 1.7 mp -59.62 -45.06 94.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.201 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -72.0 -43.82 64.46 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.231 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 79.6 t90 -67.34 -39.88 85.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.032 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mm -63.34 -43.75 98.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.174 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.55 -39.71 94.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.28 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.9 t0 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.23 -179.455 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 83.5 t . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.799 0.333 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.38 86.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.359 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.9 -47.98 70.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.601 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 78.0 p -66.28 -40.83 90.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.55 -42.45 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.733 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 67.1 mt -59.42 -43.79 91.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.633 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.88 -48.51 75.67 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mm -65.61 -48.57 82.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.97 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.56 -45.03 93.03 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.114 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.429 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 8.2 t60 -59.44 -37.83 79.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.288 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.407 ' O ' ' CG1' ' B' ' 42' ' ' ILE . 13.6 mt -61.19 -40.77 95.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.844 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.78 -45.46 94.68 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.163 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.77 -43.89 64.95 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.074 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.425 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 79.2 t90 -67.09 -39.99 86.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.948 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' B' ' 38' ' ' LEU . 4.2 mm -63.42 -43.63 98.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.209 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.54 -39.61 94.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.238 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 62.8 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.236 -179.46 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 81.2 t . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.746 0.308 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.5 85.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.341 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.97 -48.15 70.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.64 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 77.8 p -65.99 -40.61 91.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.927 0.394 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.8 -42.38 94.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.731 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.4 -43.86 91.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.528 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.69 -48.49 76.74 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 4.6 mm -65.71 -48.59 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.928 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -59.4 -45.16 92.25 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.158 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.429 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 8.7 t60 -59.42 -37.75 78.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.337 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.406 ' O ' ' CG1' ' C' ' 42' ' ' ILE . 13.6 mt -61.34 -40.87 95.85 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.8 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.58 -45.32 94.18 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.143 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.94 -43.88 64.53 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.07 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 79.5 t90 -67.12 -39.97 86.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.082 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' C' ' 38' ' ' LEU . 4.3 mm -63.4 -43.69 98.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.187 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.55 -39.82 94.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.296 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 62.9 t0 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.281 -179.488 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . 0.465 ' CG2' ' N ' ' D' ' 28' ' ' VAL . 3.1 m . . . . . 0 C--O 1.236 0.382 0 CA-C-O 121.129 0.49 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' D' ' 27' ' ' VAL . 84.5 t -61.79 -44.79 99.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.244 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.84 -37.69 85.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.391 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.81 -48.54 69.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 74.1 p -65.54 -40.99 93.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.033 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.61 -42.27 94.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.678 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.54 -43.82 91.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.622 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.05 -47.82 81.7 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.29 -48.4 81.2 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.002 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.79 -44.8 93.77 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.131 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.423 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 8.4 t60 -59.39 -37.91 79.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.275 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.405 ' O ' ' CG1' ' D' ' 42' ' ' ILE . 13.6 mt -61.28 -40.65 94.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.818 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.73 -45.32 94.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.16 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 85.9 mt -72.17 -43.8 64.02 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.075 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 79.2 t90 -67.19 -40.12 86.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.979 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.405 ' CG1' ' O ' ' D' ' 38' ' ' LEU . 4.2 mm -63.28 -43.58 98.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.218 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.5 -39.86 94.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.234 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 62.5 t0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.166 -179.465 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.933 0.397 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.59 -45.57 97.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.431 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.86 89.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.462 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.85 -50.29 66.57 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.662 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 62.7 m -61.72 -42.58 99.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.705 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.404 HD12 HG23 ' A' ' 32' ' ' ILE . 96.9 mt -64.01 -42.7 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.766 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.85 -44.51 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.842 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.87 -51.5 39.83 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.9 -43.48 96.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.7 0.286 . . . . 0.0 111.048 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.46 -45.86 92.51 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 110.613 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.423 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 8.2 t60 -61.1 -40.18 92.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.32 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.44 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 9.6 mt -60.98 -39.08 88.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.8 mt -60.79 -46.8 95.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 120.061 -0.655 . . . . 0.0 110.056 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 mt -70.15 -44.7 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.333 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 82.2 t90 -66.41 -36.67 83.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.116 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.7 -44.29 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.11 -40.19 92.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.489 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.9 t0 . . . . . 0 C--N 1.331 -0.21 0 CA-C-O 120.863 0.364 . . . . 0.0 110.331 179.893 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.735 0.303 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.78 88.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.01 -50.11 67.36 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.559 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 66.4 m -61.81 -42.57 99.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 110.649 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.88 -42.83 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.772 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.67 -44.75 99.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.801 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.69 -51.41 41.55 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.96 -43.58 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.723 0.297 . . . . 0.0 110.917 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.43 -45.86 92.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.918 0.39 . . . . 0.0 110.659 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.43 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.9 t60 -61.16 -40.27 93.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.282 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.421 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 10.0 mt -60.89 -38.97 87.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.97 -46.83 95.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.106 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.5 mt -70.29 -44.62 67.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.315 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 81.9 t90 -66.33 -36.81 83.86 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.018 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.62 -44.19 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.28 -40.22 93.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.376 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 110.31 179.837 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 99.2 t . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.731 0.301 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.76 88.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.488 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.0 -50.15 67.24 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.717 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 66.2 m -61.79 -42.61 99.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.625 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.41 HD12 HG23 ' C' ' 32' ' ' ILE . 96.9 mt -64.04 -42.65 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.754 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.81 -44.64 99.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.808 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.72 -51.41 41.37 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.323 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.96 -43.55 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.727 0.299 . . . . 0.0 110.934 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.49 -45.71 93.1 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.935 0.397 . . . . 0.0 110.68 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.428 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 8.2 t60 -61.29 -40.12 92.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.237 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.43 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 10.0 mt -60.95 -39.11 88.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.0 mt -60.77 -46.82 95.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.102 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.8 mt -70.23 -44.52 68.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.288 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.427 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 82.5 t90 -66.47 -36.77 83.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.167 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.62 -44.19 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 78.2 mt -61.1 -40.42 93.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.468 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 65.2 t0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 110.24 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.909 0.385 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.27 -45.57 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.361 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.78 88.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.514 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.94 -50.14 67.12 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.642 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 62.5 m -61.77 -42.59 99.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.844 0.354 . . . . 0.0 110.729 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.02 -42.67 96.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.669 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.73 -44.74 99.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.821 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.76 -51.4 41.2 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.93 -43.57 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.665 0.269 . . . . 0.0 111.001 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.38 -45.85 92.65 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.909 0.385 . . . . 0.0 110.65 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.44 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 8.0 t60 -61.24 -40.24 93.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.31 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.428 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 9.9 mt -60.82 -39.04 87.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.791 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.76 -46.89 95.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.154 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.6 mt -70.19 -44.81 67.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.33 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 82.3 t90 -66.19 -36.75 83.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.058 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.59 -44.33 98.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.17 -40.27 93.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.333 . . . . 0.0 110.251 179.863 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.937 0.399 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.21 -44.26 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.421 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -40.81 93.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.542 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.14 -49.14 72.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.726 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.8 m -61.82 -42.39 98.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.788 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.28 -42.24 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.727 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 79.5 mt -60.06 -42.61 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.52 -53.8 42.48 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.232 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.2 mm -67.68 -44.84 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.745 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.76 -45.31 94.43 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.933 0.397 . . . . 0.0 110.929 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -64.76 -40.81 95.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.469 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.64 -41.52 97.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.405 HD11 HG23 ' A' ' 39' ' ' ILE . 79.1 mt -58.81 -48.18 86.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.491 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.2 mt -70.99 -42.78 69.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.94 0.4 . . . . 0.0 111.104 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -66.89 -35.43 80.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.021 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.11 -43.95 99.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.853 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -43.09 99.53 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.157 0.504 . . . . 0.0 110.278 -178.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 62.8 t0 . . . . . 0 C--N 1.319 -0.725 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.632 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.04 93.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.491 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.77 -49.31 71.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.671 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.0 m -61.7 -42.52 99.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.29 -42.27 95.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.657 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 80.8 mt -60.05 -42.84 91.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.628 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.29 -53.22 47.43 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.175 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 35.9 mm -68.06 -44.8 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.817 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.94 -45.18 94.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.408 ' ND1' HD22 ' C' ' 38' ' ' LEU . 7.5 t60 -64.66 -40.77 96.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.437 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.87 -41.42 97.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.169 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.0 -48.03 87.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.498 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -71.11 -43.06 68.43 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.968 0.413 . . . . 0.0 111.055 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -66.79 -35.46 80.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.84 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.0 -43.97 99.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.868 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -42.96 99.64 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.335 -178.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' B' ' 44' ' ' ASP . 63.9 t0 . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.67 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 88.2 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.838 0.351 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.68 94.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.506 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.35 -48.97 73.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.659 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 56.5 m -61.9 -42.48 99.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.763 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.17 -42.16 95.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.644 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 80.7 mt -60.25 -42.8 91.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.558 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.4 -53.57 44.44 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.104 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 36.1 mm -67.76 -45.3 84.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.3 -45.21 95.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.41 ' ND1' HD22 ' D' ' 38' ' ' LEU . 7.5 t60 -64.78 -40.67 95.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.441 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.408 HD22 ' ND1' ' B' ' 37' ' ' HIS . 13.9 mt -61.83 -41.37 97.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.226 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . 0.412 HD11 HG23 ' C' ' 39' ' ' ILE . 80.9 mt -59.06 -47.52 89.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.407 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.65 -43.15 66.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.984 0.421 . . . . 0.0 111.13 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -66.54 -35.49 80.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.824 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.0 -44.22 99.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.861 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -43.52 98.73 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.296 -0.561 . . . . 0.0 110.288 -178.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' C' ' 44' ' ' ASP . 63.7 t0 . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.634 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.978 0.418 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 90.5 t -63.88 -44.43 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.459 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.97 93.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.588 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.08 -49.04 72.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.667 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 58.5 m -61.73 -42.48 99.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.797 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.22 -42.09 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.719 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.24 -42.81 91.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.59 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.54 -53.5 44.92 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 35.8 mm -67.81 -45.05 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.756 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.8 -45.13 95.18 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.923 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' D' ' 37' ' ' HIS . 7.4 t60 -64.68 -40.81 96.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.315 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.41 HD22 ' ND1' ' C' ' 37' ' ' HIS . 13.8 mt -61.66 -41.6 97.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.275 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 80.7 mt -58.96 -47.76 88.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.389 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.22 -42.85 68.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.973 0.416 . . . . 0.0 111.055 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -67.1 -35.24 79.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.031 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.12 -43.95 99.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.958 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.73 -43.02 99.67 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.222 0.534 . . . . 0.0 110.294 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 63.0 t0 . . . . . 0 C--N 1.32 -0.679 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.613 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.234 0.272 0 CA-C-O 120.996 0.427 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.72 -43.86 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.019 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.19 78.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.288 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.28 78.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.8 m -61.66 -39.95 93.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.921 0.391 . . . . 0.0 110.72 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.412 HD11 HG22 ' A' ' 32' ' ' ILE . 94.8 mt -63.07 -41.74 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.674 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.44 -43.16 93.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.605 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -51.58 58.06 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.027 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.2 mm -68.3 -44.74 83.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 O-C-N 122.734 -0.274 . . . . 0.0 111.184 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.16 -47.26 85.3 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.895 0.379 . . . . 0.0 110.603 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.403 ' CD2' ' C ' ' A' ' 37' ' ' HIS . 8.4 t60 -60.79 -40.61 93.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.098 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.417 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 13.2 mt -61.1 -40.25 93.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.355 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.3 -48.68 87.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.356 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.3 mp -67.07 -43.64 82.13 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.25 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -67.84 -37.15 81.52 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.574 0.226 . . . . 0.0 111.223 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.31 -45.39 98.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.57 -37.76 88.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.431 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 C--N 1.33 -0.276 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.298 -179.82 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.0 t . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.856 0.36 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.21 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.39 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.34 -48.67 76.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.42 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 29.5 m -61.72 -40.04 93.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.403 HG22 HD11 ' B' ' 32' ' ' ILE . 94.8 mt -63.01 -41.71 93.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.558 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.7 mt -60.45 -43.19 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.561 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -51.57 58.12 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.012 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mm -68.34 -44.7 83.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.17 -47.32 85.03 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.985 0.421 . . . . 0.0 110.592 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.408 ' CD2' ' C ' ' B' ' 37' ' ' HIS . 8.6 t60 -60.75 -40.5 92.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.229 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.13 -40.3 93.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.397 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.26 -48.69 87.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.323 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.3 mp -66.94 -43.66 82.62 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.286 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -67.95 -36.97 81.0 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.382 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.33 -45.35 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.56 -37.84 88.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.356 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 C--N 1.329 -0.307 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.274 -179.712 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.9 t . . . . . 0 N--CA 1.456 -0.161 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.24 -36.97 78.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.32 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.58 77.15 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.328 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 36.1 m -61.47 -40.14 93.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.1 -41.78 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.624 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.41 -43.2 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.668 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.08 -51.53 58.33 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.008 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 41.1 mm -68.4 -44.62 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.146 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.23 -47.25 85.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.906 0.384 . . . . 0.0 110.639 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' C' ' 37' ' ' HIS . 8.6 t60 -60.73 -40.59 92.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.318 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.14 -40.15 92.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.355 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.31 -48.74 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.396 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 11.3 mp -67.0 -43.53 82.66 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.21 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -67.94 -37.18 81.3 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.635 0.255 . . . . 0.0 111.311 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.15 -45.49 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.61 -37.7 88.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.357 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 30.4 t70 . . . . . 0 C--N 1.328 -0.328 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.26 -179.75 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.235 0.308 0 CA-C-O 121.024 0.44 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.77 -43.92 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.178 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -37.22 79.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.125 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.46 -48.71 76.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 34.1 m -61.54 -39.98 93.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.684 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.04 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.713 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.66 -43.01 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.503 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.02 -51.69 57.35 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 41.7 mm -68.3 -44.67 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 O-C-N 122.755 -0.262 . . . . 0.0 111.135 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.23 -47.24 85.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 110.568 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.417 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 9.0 t60 -60.83 -40.5 93.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.259 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.15 -40.33 93.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.316 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.26 -48.74 87.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.35 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 11.3 mp -67.01 -43.57 82.52 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.671 -0.411 . . . . 0.0 111.26 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -67.93 -37.09 81.21 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.258 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.32 -45.46 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.44 -37.84 88.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.45 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 C--N 1.33 -0.269 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.337 -179.787 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.2 t . . . . . 0 C--O 1.234 0.273 0 CA-C-O 121.068 0.461 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.51 -45.51 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.554 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.35 -39.13 82.22 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.523 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.13 -51.05 69.34 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.469 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -62.94 -37.88 88.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.97 -43.0 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.474 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 81.1 mt -59.7 -44.76 94.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.468 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.37 -43.63 96.55 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.325 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.3 mt -69.48 -52.46 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.85 -42.72 97.51 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.116 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -59.94 -41.39 91.74 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.72 -39.44 91.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.28 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.95 -48.85 86.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.423 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.51 -43.43 69.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.862 0.363 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -65.84 -36.98 84.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -62.24 -44.32 98.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.12 -39.86 91.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.568 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.425 179.809 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 120.862 0.363 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.45 82.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.472 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.88 -51.15 68.57 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.406 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 20.9 m -62.99 -37.77 88.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.02 -43.19 98.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.409 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 81.7 mt -59.48 -44.77 93.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.679 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.54 -43.39 96.64 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.449 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.409 HD11 HG22 ' B' ' 35' ' ' ILE . 95.2 mt -69.49 -52.36 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.98 -42.73 97.15 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.15 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -59.81 -41.29 90.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.084 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.89 -39.51 92.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.246 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.82 -48.97 85.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.374 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.3 mt -70.5 -43.49 69.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -65.82 -36.83 84.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mm -62.24 -44.49 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 75.3 mt -61.09 -39.87 91.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.483 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 64.5 t0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.848 0.356 . . . . 0.0 110.517 179.814 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.5 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.861 0.363 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.43 83.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.471 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.83 -51.37 67.71 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.287 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -62.91 -37.75 88.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.612 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.05 -43.08 98.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.42 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 81.3 mt -59.69 -44.69 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.531 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.4 -43.58 96.57 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 120.474 -0.869 . . . . 0.0 111.375 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 94.7 mt -69.46 -52.32 33.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.02 -42.77 97.02 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.018 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.408 ' CD2' ' C ' ' C' ' 37' ' ' HIS . 7.8 t60 -59.74 -41.38 90.83 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.097 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.84 -39.45 91.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.9 -48.86 86.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.431 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.47 -43.52 69.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.988 0.423 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -65.95 -36.74 84.18 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mm -62.31 -44.41 99.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 75.3 mt -61.07 -39.89 91.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.498 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.402 . . . . 0.0 110.453 179.856 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 73.9 t . . . . . 0 C--O 1.234 0.258 0 CA-C-O 120.975 0.417 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 96.5 t -65.32 -45.68 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.492 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.04 -39.35 81.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.516 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.0 -51.24 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.356 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 21.0 m -62.96 -37.91 89.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.565 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.93 -43.07 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.45 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.55 -44.74 93.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.71 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.57 -43.55 96.36 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 120.479 -0.867 . . . . 0.0 111.273 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . 0.401 HG22 HD11 ' D' ' 35' ' ' ILE . 94.6 mt -69.46 -52.34 33.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.03 -42.61 97.05 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.056 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' D' ' 37' ' ' HIS . 7.9 t60 -60.01 -41.28 91.8 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.982 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.79 -39.54 92.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.84 -49.01 85.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.37 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.48 -43.46 69.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -65.81 -36.9 84.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mm -62.2 -44.4 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.09 -39.94 91.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.484 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 64.2 t0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 110.414 179.901 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.92 0.39 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.4 t -63.53 -44.94 98.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.499 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.97 89.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.494 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.39 -48.6 74.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.67 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.5 p -64.72 -40.15 94.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.774 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.93 -42.86 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.2 mt -61.04 -44.35 98.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.735 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.65 -51.82 33.69 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.408 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.42 -44.59 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.729 0.299 . . . . 0.0 110.881 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.5 -44.67 95.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.963 0.411 . . . . 0.0 110.963 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.412 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.7 t60 -62.14 -40.06 94.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.406 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.438 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 13.5 mt -61.64 -38.87 89.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.17 -44.31 98.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.388 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.38 -41.37 61.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.108 0.48 . . . . 0.0 111.189 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -70.27 -46.21 64.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.896 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.8 tp -61.47 -38.58 80.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.306 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.08 -39.88 93.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.227 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.9 t0 . . . . . 0 C--N 1.322 -0.606 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.533 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.2 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.749 0.309 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.76 91.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.483 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.65 -48.64 74.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.621 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 71.9 p -64.61 -40.29 95.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.739 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.404 ' O ' ' CB ' ' B' ' 36' ' ' LEU . 95.9 mt -64.76 -42.98 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.603 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 70.3 mt -60.95 -44.35 97.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.856 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.42 -52.06 33.31 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.472 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.13 -44.7 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.31 . . . . 0.0 110.841 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.404 ' CB ' ' O ' ' B' ' 32' ' ' ILE . 56.9 tp -62.44 -44.88 95.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.962 0.411 . . . . 0.0 110.946 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.42 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.4 t60 -61.88 -40.23 94.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.372 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.412 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 13.7 mt -61.48 -38.81 88.62 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.057 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.1 -44.32 98.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 120.186 -0.606 . . . . 0.0 110.278 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.31 -41.36 61.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.147 0.498 . . . . 0.0 111.291 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -70.34 -46.32 64.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.855 -179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 10.6 tp -61.26 -38.78 80.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.379 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.9 -39.95 93.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.248 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 42.5 t0 . . . . . 0 C--N 1.324 -0.525 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.506 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.746 0.308 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.74 -40.68 93.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.491 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.79 -48.94 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.633 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 73.0 p -64.35 -40.44 95.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.794 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.405 ' O ' ' CB ' ' C' ' 36' ' ' LEU . 96.3 mt -64.67 -42.9 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.646 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.01 -44.26 97.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.788 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.6 -51.84 33.82 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.408 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.48 -44.52 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.7 0.286 . . . . 0.0 110.786 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' C' ' 32' ' ' ILE . 56.4 tp -62.57 -44.81 95.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.995 0.426 . . . . 0.0 111.056 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.433 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.6 t60 -62.12 -39.93 94.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.317 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.42 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 13.5 mt -61.67 -38.78 89.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.995 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.33 -44.25 98.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.299 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.0 mt -74.44 -41.62 60.54 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.159 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -69.87 -46.51 65.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.876 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 10.7 tp -61.47 -38.34 79.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.33 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 28.1 mt -62.24 -39.74 93.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.147 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 43.2 t0 . . . . . 0 C--N 1.321 -0.643 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.555 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.907 0.384 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.0 -44.88 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.42 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.39 91.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.53 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.96 -49.15 72.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.705 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 74.3 p -64.26 -40.2 95.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.725 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.404 ' O ' ' CB ' ' D' ' 36' ' ' LEU . 96.1 mt -64.83 -42.86 96.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.658 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 71.0 mt -60.98 -44.58 98.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.77 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.19 -52.05 34.45 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.299 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.43 -44.48 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.94 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . 0.404 ' CB ' ' O ' ' D' ' 32' ' ' ILE . 57.4 tp -62.47 -44.59 96.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.064 0.459 . . . . 0.0 111.034 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.438 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.6 t60 -62.43 -39.78 94.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.373 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.433 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 13.4 mt -61.84 -38.93 90.03 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.886 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.06 -44.31 98.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.339 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 94.0 mt -74.38 -41.23 61.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.102 0.477 . . . . 0.0 111.256 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -70.34 -46.49 64.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.827 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 10.8 tp -61.32 -38.51 80.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.246 -179.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 29.2 mt -62.12 -39.96 94.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.239 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 43.3 t0 . . . . . 0 C--N 1.324 -0.502 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.535 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.0 t . . . . . 0 C--O 1.234 0.276 0 CA-C-O 121.027 0.441 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.2 t -65.49 -43.86 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.253 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.49 -38.7 90.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.579 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.67 -49.89 71.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.559 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.1 m -62.59 -41.78 99.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.769 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.58 -42.4 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.546 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 70.7 mt -61.24 -43.94 97.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.753 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.78 -53.5 37.5 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 120.638 -0.792 . . . . 0.0 111.207 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.408 HG21 HD11 ' A' ' 35' ' ' ILE . 97.6 mt -65.92 -44.44 92.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.837 0.351 . . . . 0.0 110.949 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.07 -44.74 96.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.008 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.457 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.8 t60 -63.5 -39.29 94.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.293 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.436 ' O ' ' CG2' ' A' ' 42' ' ' ILE . 11.7 mt -61.54 -39.75 92.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.178 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.02 -44.22 98.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.364 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.1 mt -73.31 -42.8 61.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.028 0.442 . . . . 0.0 110.987 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -69.11 -48.17 63.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.769 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.436 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 17.9 tt -61.76 -35.79 69.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.936 0.398 . . . . 0.0 110.077 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.66 -43.01 99.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.345 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.713 -179.803 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.83 0.348 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.64 90.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.484 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.68 -49.97 71.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.584 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 51.9 m -62.51 -41.79 99.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.763 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.411 HD12 HG23 ' B' ' 32' ' ' ILE . 96.7 mt -63.55 -42.36 95.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.54 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 69.2 mt -61.2 -44.25 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.768 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.42 -53.52 38.56 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 120.538 -0.839 . . . . 0.0 111.267 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.88 -44.49 92.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.02 -44.6 96.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.455 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.9 t60 -63.81 -39.18 93.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.358 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.457 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 11.3 mt -61.49 -39.73 91.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.123 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.96 -44.28 98.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.409 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.6 mt -73.48 -42.66 61.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.986 0.422 . . . . 0.0 111.043 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -69.07 -47.9 64.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.796 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.444 ' CG2' ' O ' ' B' ' 38' ' ' LEU . 17.6 tt -62.37 -35.6 70.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.886 0.374 . . . . 0.0 110.067 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 45.4 tp -61.78 -42.94 99.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.207 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.772 -179.762 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.911 0.386 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.24 92.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.508 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.0 -50.24 69.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.632 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 55.0 m -62.21 -42.02 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.744 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.42 -42.51 96.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.496 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.91 -44.07 97.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.793 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.73 -53.68 36.41 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.183 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.8 -44.41 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.14 -44.99 95.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.451 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.8 t60 -63.35 -39.12 93.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.328 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.455 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 11.6 mt -61.49 -39.91 92.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.26 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.86 -44.22 98.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.415 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 50.8 mt -73.48 -42.83 61.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.026 0.441 . . . . 0.0 111.06 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -68.83 -48.03 64.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.791 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.427 ' CG2' ' O ' ' C' ' 38' ' ' LEU . 17.8 tt -62.16 -35.59 69.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.042 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.91 -42.84 99.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.243 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.751 -179.802 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.972 0.415 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.6 -43.86 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.275 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.6 90.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.52 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.57 -50.22 70.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.573 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 51.6 m -62.35 -41.71 98.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.808 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.59 -42.36 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.479 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 69.6 mt -61.23 -44.07 97.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.79 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.56 -53.58 37.7 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.3 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.86 -44.6 92.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.01 -44.76 96.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.407 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.8 t60 -63.49 -39.32 94.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.273 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.451 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 11.4 mt -61.47 -39.87 92.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.091 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 94.9 mt -61.93 -44.3 98.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.433 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 51.3 mt -73.24 -42.52 62.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.009 0.433 . . . . 0.0 111.005 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -69.12 -48.52 62.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.818 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.432 ' CG2' ' O ' ' D' ' 38' ' ' LEU . 17.8 tt -61.72 -35.53 68.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.028 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 45.4 tp -61.97 -43.0 99.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.257 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.701 -179.769 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.0 t . . . . . 0 C--O 1.235 0.315 0 CA-C-O 121.082 0.468 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.3 m -66.55 -43.06 90.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.083 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.51 -40.99 75.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.011 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.25 -43.24 82.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.54 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.1 m -60.24 -46.02 91.22 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.78 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.452 ' N ' ' CD1' ' A' ' 32' ' ' ILE . 1.2 mp -67.03 -41.32 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.767 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.15 -45.04 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.919 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.06 -50.97 36.53 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.372 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.39 -43.2 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.64 0.257 . . . . 0.0 111.485 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.91 -43.7 98.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.758 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.453 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 8.1 t60 -62.11 -41.87 98.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.871 0.367 . . . . 0.0 110.543 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.446 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 9.1 mt -61.82 -39.98 93.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.358 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 39' ' ' ILE . 97.1 mt -62.3 -45.1 99.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.476 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.24 -44.43 65.33 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.512 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.418 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 65.3 t90 -68.92 -46.28 68.68 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.975 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 3.8 tp -64.02 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 43.9 tp -64.67 -39.36 93.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.284 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.5 t0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.294 -179.567 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 28.2 m . . . . . 0 CA--C 1.517 -0.298 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.63 -40.86 76.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.081 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.27 -43.28 82.94 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.494 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -60.32 -46.01 91.4 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.448 ' N ' ' CD1' ' B' ' 32' ' ' ILE . 1.2 mp -66.9 -41.47 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.722 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 71.8 mt -60.0 -45.12 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.906 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.07 -51.0 36.23 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.322 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.29 -43.16 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.553 0.216 . . . . 0.0 111.576 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.78 -43.74 98.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.813 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.455 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 8.1 t60 -62.07 -42.0 98.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.483 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.453 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 8.9 mt -61.82 -39.9 93.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.351 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . 0.427 HG22 HD11 ' B' ' 39' ' ' ILE . 97.1 mt -62.39 -45.02 99.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.411 -179.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.32 -44.55 64.92 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.839 -0.345 . . . . 0.0 111.387 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 65.3 t90 -68.91 -46.29 68.69 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.933 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.411 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 3.9 tp -63.97 -40.67 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.411 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 43.9 tp -64.75 -39.32 93.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.207 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 42.7 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.239 -179.47 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 28.3 m . . . . . 0 CA--C 1.517 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.065 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.58 -40.95 76.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.986 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.25 -43.26 82.79 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.452 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 70.7 m -60.3 -46.02 91.34 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.83 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.456 ' CD1' ' N ' ' C' ' 32' ' ' ILE . 1.2 mp -67.09 -41.32 86.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.692 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.03 -45.16 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.869 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.12 -50.99 36.02 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.304 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.24 -43.22 95.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.592 0.235 . . . . 0.0 111.538 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.83 -43.83 98.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.77 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.462 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 8.0 t60 -62.02 -41.98 98.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.446 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.455 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 8.8 mt -61.86 -39.9 93.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.354 -179.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . 0.425 HG22 HD11 ' C' ' 39' ' ' ILE . 97.1 mt -62.36 -44.93 99.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.514 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.43 -44.55 64.63 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.434 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 65.0 t90 -68.86 -46.28 68.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.87 -179.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 3.8 tp -63.93 -40.75 90.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 43.8 tp -64.72 -39.36 93.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.177 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 42.5 t0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.223 -179.548 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 88.8 t . . . . . 0 C--O 1.235 0.321 0 CA-C-O 120.961 0.41 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 28.2 m -66.63 -42.97 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.071 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.62 -40.87 76.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.985 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.43 82.77 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.45 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 69.9 m -60.18 -46.12 90.8 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.759 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.446 ' N ' ' CD1' ' D' ' 32' ' ' ILE . 1.2 mp -66.94 -41.34 87.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.759 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.03 -45.16 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.914 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.1 -51.0 36.09 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.341 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.21 -43.19 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.684 0.278 . . . . 0.0 111.596 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.86 -43.86 98.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.715 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.446 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 8.0 t60 -61.97 -42.0 98.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.0 0.428 . . . . 0.0 110.501 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.462 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 8.9 mt -61.81 -39.95 93.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.384 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . 0.425 HG22 HD11 ' D' ' 39' ' ' ILE . 97.0 mt -62.33 -45.01 99.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.434 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.34 -44.53 64.89 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.472 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.415 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 65.1 t90 -68.76 -46.5 68.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.889 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 3.9 tp -63.85 -40.78 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 43.1 tp -64.7 -39.4 93.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.176 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 42.4 t0 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.328 -179.559 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.6 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.909 0.385 . . . . 0.0 110.669 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.7 t -61.02 -44.41 98.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.304 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.2 87.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.15 -47.74 74.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.9 m -61.0 -42.47 98.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.493 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.411 HD13 HG22 ' A' ' 32' ' ' ILE . 97.3 mt -63.89 -42.26 95.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.438 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 80.7 mt -61.36 -44.18 98.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.72 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.63 -52.42 48.89 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.202 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.02 -44.64 92.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.59 -46.61 87.52 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.149 0.499 . . . . 0.0 110.946 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -59.76 -40.41 88.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.194 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.67 -39.79 92.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.7 mt -59.0 -49.27 83.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.219 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -69.57 -42.83 73.98 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.619 -0.433 . . . . 0.0 111.668 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -67.22 -39.81 86.29 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.34 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 52.4 mt -62.75 -45.99 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.557 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mp -65.74 -37.63 86.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.477 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.0 t0 . . . . . 0 C--N 1.328 -0.336 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.311 -179.517 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.783 0.325 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.08 87.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.15 -47.8 74.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.465 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 62.3 m -60.91 -42.63 98.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.561 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.414 HG22 HD13 ' B' ' 32' ' ' ILE . 97.2 mt -63.75 -42.35 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.48 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . 0.404 HD12 HG21 ' B' ' 33' ' ' ILE . 79.4 mt -61.25 -44.23 98.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.823 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.6 -52.3 49.82 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.084 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.28 -44.49 91.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.117 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.78 -46.43 88.03 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.024 0.44 . . . . 0.0 110.882 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.41 ' CD2' ' C ' ' B' ' 37' ' ' HIS . 8.1 t60 -59.73 -40.59 88.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.118 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.5 -39.9 92.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 94.7 mt -58.79 -49.36 83.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.215 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 mt -69.78 -42.84 73.27 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.521 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -67.0 -39.89 87.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.416 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 52.1 mt -62.78 -46.14 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.467 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mp -65.72 -37.45 86.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.456 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 . . . . . 0 C--N 1.328 -0.338 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.095 -179.208 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 86.6 t . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.822 0.344 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -37.97 86.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.394 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.92 74.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.499 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 61.7 m -60.9 -42.53 98.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.553 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.433 HD13 HG22 ' C' ' 32' ' ' ILE . 97.2 mt -63.8 -42.3 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.43 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 79.7 mt -61.44 -44.06 97.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.733 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.63 -52.44 48.75 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.06 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.06 -44.59 91.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.216 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.71 -46.56 87.57 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.082 0.467 . . . . 0.0 110.823 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.411 ' CD2' ' C ' ' C' ' 37' ' ' HIS . 8.3 t60 -59.8 -40.36 88.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.21 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.66 -39.75 92.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 93.9 mt -58.93 -49.26 83.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.19 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.2 mt -69.6 -42.95 73.75 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.549 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -67.11 -39.92 86.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.481 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 52.6 mt -62.67 -46.2 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 121.091 -0.243 . . . . 0.0 110.485 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mp -65.59 -37.6 87.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.537 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 67.1 t0 . . . . . 0 C--N 1.329 -0.325 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.163 -179.495 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . 0.405 ' CG2' ' N ' ' D' ' 28' ' ' VAL . 4.4 m . . . . . 0 C--O 1.233 0.228 0 CA-C-O 121.027 0.441 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . 0.405 ' N ' ' CG2' ' D' ' 27' ' ' VAL . 85.5 t -60.96 -44.49 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.391 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.2 87.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.75 74.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.428 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 62.2 m -60.88 -42.59 98.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.486 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.79 -42.39 95.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.27 -44.21 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.69 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.59 -52.34 49.55 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.409 -0.901 . . . . 0.0 111.117 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.13 -44.58 91.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.684 0.278 . . . . 0.0 111.204 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.73 -46.46 88.0 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.079 0.466 . . . . 0.0 110.859 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.407 ' CD2' ' C ' ' D' ' 37' ' ' HIS . 8.1 t60 -59.69 -40.67 88.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.137 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.54 -39.84 92.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.84 -49.29 83.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.178 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 mt -69.64 -42.91 73.65 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.557 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -66.97 -39.93 87.34 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.558 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 53.7 mt -62.72 -45.93 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.596 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mp -65.8 -37.62 86.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.46 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 . . . . . 0 C--N 1.328 -0.345 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.26 -179.436 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.5 t . . . . . 0 C--O 1.234 0.241 0 CA-C-O 121.048 0.451 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.6 t -63.76 -44.48 98.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.492 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.74 95.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.647 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.87 -50.21 66.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.575 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -62.65 -43.03 99.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.753 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.09 -41.71 92.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.859 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.65 -43.12 86.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.7 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -49.79 74.74 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.272 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . 0.411 HG22 HD12 ' A' ' 35' ' ' ILE . 43.3 mm -63.62 -47.82 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.668 0.27 . . . . 0.0 111.146 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.93 -43.62 98.47 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.137 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.407 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 7.6 t60 -65.34 -41.97 93.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.741 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 mt -62.07 -40.53 96.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -61.55 -44.52 98.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.482 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.1 mt -74.35 -41.85 60.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.014 0.435 . . . . 0.0 111.184 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.408 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.4 t90 -68.28 -46.51 70.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.895 -178.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 18.6 tt -61.53 -38.6 80.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.219 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.4 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 1.5 tt -61.76 -41.36 97.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.196 0.522 . . . . 0.0 109.966 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.486 -179.534 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 74.2 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.781 0.325 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.68 96.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.521 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.78 -50.25 66.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.911 0.386 . . . . 0.0 110.658 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -62.78 -42.98 99.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.733 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.4 HD11 HG22 ' B' ' 32' ' ' ILE . 90.2 mt -62.1 -41.93 93.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 68.5 mt -58.27 -43.3 85.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.783 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.89 -49.91 73.46 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.222 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 43.2 mm -63.58 -47.6 90.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.189 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -62.01 -43.76 98.14 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.141 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.411 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 7.7 t60 -65.32 -41.93 93.5 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.822 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 mt -62.17 -40.49 96.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.741 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.45 -44.63 98.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.519 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 58.5 mt -74.2 -41.87 60.71 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.022 0.439 . . . . 0.0 111.11 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.407 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 75.1 t90 -68.34 -46.45 70.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.938 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 18.6 tt -61.54 -38.38 80.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.21 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.95 -41.46 98.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.18 0.514 . . . . 0.0 109.922 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.461 -179.442 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 71.0 t . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.854 0.359 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.71 95.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.595 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.82 -50.13 66.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.633 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -62.91 -42.9 99.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.788 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 91.5 mt -62.05 -41.82 92.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.797 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 68.6 mt -58.45 -43.24 86.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.662 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -49.81 74.53 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 120.581 -0.818 . . . . 0.0 111.244 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 43.8 mm -63.7 -47.59 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.218 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 44.0 mt -62.02 -43.55 98.59 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.12 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.402 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 7.7 t60 -65.47 -41.87 92.86 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.764 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.34 -40.29 95.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 79.0 mt -61.61 -44.58 98.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.523 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 59.7 mt -74.2 -42.01 60.49 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.952 0.406 . . . . 0.0 111.094 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.411 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 74.9 t90 -68.27 -46.69 69.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.848 -178.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 18.7 tt -61.5 -38.26 79.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.193 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 tt -62.0 -41.49 98.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.208 0.528 . . . . 0.0 109.883 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.466 -179.479 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 82.1 t . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.974 0.416 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.52 -44.51 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.506 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.67 96.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.634 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.85 -50.07 67.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.857 0.361 . . . . 0.0 110.704 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -62.83 -42.89 99.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.8 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.409 HD11 HG22 ' D' ' 32' ' ' ILE . 91.5 mt -62.13 -41.78 92.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.814 -179.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 68.3 mt -58.53 -43.2 86.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.72 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -49.86 74.02 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.258 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mm -63.56 -47.62 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.208 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 45.4 mt -61.87 -43.77 98.17 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.125 -179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.408 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 7.8 t60 -65.48 -41.78 92.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.767 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 mt -62.36 -40.35 96.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.52 -44.63 98.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.551 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 59.0 mt -74.26 -42.01 60.34 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.132 0.492 . . . . 0.0 111.187 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.402 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 75.3 t90 -68.19 -46.61 70.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.857 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 18.6 tt -61.49 -38.25 79.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.238 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 tt -62.0 -41.43 98.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.234 0.54 . . . . 0.0 109.965 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.446 -179.49 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.8 t . . . . . 0 C--O 1.233 0.212 0 CA-C-O 121.029 0.442 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.42 -43.77 97.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.383 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -39.85 85.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.547 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.96 -46.39 78.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.527 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' SER . . . . . 0.492 ' HG ' ' N ' ' A' ' 32' ' ' ILE . 78.1 p -67.08 -39.79 86.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.771 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . 0.492 ' N ' ' HG ' ' A' ' 31' ' ' SER . 95.2 mt -64.27 -42.96 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.587 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.56 -44.65 97.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.745 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.46 -48.55 23.28 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.418 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.41 -45.52 92.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.771 0.319 . . . . 0.0 110.835 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 32' ' ' ILE . 46.9 tp -63.34 -44.94 93.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.418 ' ND1' HD22 ' B' ' 38' ' ' LEU . 7.4 t60 -59.77 -40.56 88.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.337 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.408 ' O ' ' CG1' ' A' ' 42' ' ' ILE . 14.4 mt -61.4 -39.86 92.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.046 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.0 -47.19 90.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.327 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.62 -44.27 62.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.085 0.469 . . . . 0.0 111.168 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -65.52 -35.65 81.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.844 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 38' ' ' LEU . 2.6 mm -63.48 -44.68 98.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.31 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.8 mt -61.19 -40.24 93.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.551 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 55.3 t0 . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.605 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.8 t . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.718 0.295 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.2 86.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.435 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.92 77.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.506 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 31' ' ' SER . . . . . 0.485 ' HG ' ' N ' ' B' ' 32' ' ' ILE . 78.0 p -66.63 -39.94 88.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.809 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . 0.485 ' N ' ' HG ' ' B' ' 31' ' ' SER . 94.7 mt -64.31 -42.89 96.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.649 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 74.0 mt -60.54 -44.76 97.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.716 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.3 -48.75 23.41 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.425 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.18 -45.66 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.899 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . 0.404 ' CB ' ' O ' ' B' ' 32' ' ' ILE . 46.8 tp -63.18 -44.86 94.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.096 0.474 . . . . 0.0 110.875 -179.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -59.8 -40.29 87.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.312 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.418 HD22 ' ND1' ' A' ' 37' ' ' HIS . 14.7 mt -61.64 -39.77 92.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 92.9 mt -59.11 -47.13 91.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.462 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.69 -43.62 62.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.089 0.471 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -66.38 -35.02 79.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.028 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' B' ' 38' ' ' LEU . 2.6 mm -63.93 -44.74 98.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.268 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.4 mt -61.16 -40.33 93.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 55.1 t0 . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.631 179.899 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 85.9 t . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.771 0.319 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.43 -40.18 85.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.475 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.72 -46.37 77.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.57 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 31' ' ' SER . . . . . 0.492 ' HG ' ' N ' ' C' ' 32' ' ' ILE . 78.3 p -66.99 -39.87 87.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.755 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . 0.492 ' N ' ' HG ' ' C' ' 31' ' ' SER . 94.2 mt -64.29 -42.88 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.618 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.37 -44.84 96.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.731 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.29 -48.92 22.66 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.508 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.07 -45.54 94.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.896 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' C' ' 32' ' ' ILE . 46.9 tp -63.22 -44.84 94.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.01 0.433 . . . . 0.0 110.906 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.404 ' CD2' ' C ' ' C' ' 37' ' ' HIS . 7.6 t60 -59.88 -40.41 88.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.414 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.402 ' O ' ' CG1' ' C' ' 42' ' ' ILE . 14.6 mt -61.52 -39.94 92.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 93.8 mt -58.82 -47.52 89.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 C-N-CA 120.156 -0.617 . . . . 0.0 110.406 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 87.5 mt -72.38 -44.04 63.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.07 0.462 . . . . 0.0 111.26 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -65.81 -35.45 80.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.966 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' C' ' 38' ' ' LEU . 2.6 mm -63.63 -44.85 98.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.248 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 66.8 mt -61.06 -40.53 94.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.614 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 54.6 t0 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.605 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 95.6 t . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 121.028 0.442 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 84.2 t -61.48 -43.99 97.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -40.3 86.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.422 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.82 -46.36 78.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.532 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 31' ' ' SER . . . . . 0.481 ' HG ' ' N ' ' D' ' 32' ' ' ILE . 77.9 p -67.21 -39.52 86.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.771 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . 0.481 ' N ' ' HG ' ' D' ' 31' ' ' SER . 94.2 mt -64.54 -42.81 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.615 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 74.6 mt -60.43 -44.97 97.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.803 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.3 -48.8 23.15 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.365 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.0 -45.65 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.79 0.328 . . . . 0.0 110.956 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . 0.403 ' CB ' ' O ' ' D' ' 32' ' ' ILE . 47.3 tp -63.36 -44.52 94.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.027 0.441 . . . . 0.0 110.916 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' D' ' 37' ' ' HIS . 7.6 t60 -60.05 -40.11 88.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.405 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.405 ' O ' ' CG1' ' D' ' 42' ' ' ILE . 14.8 mt -61.76 -39.85 93.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.005 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 93.8 mt -58.93 -47.46 89.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.445 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.45 -43.83 63.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.073 0.464 . . . . 0.0 111.21 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -66.11 -35.37 80.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.939 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.405 ' CG1' ' O ' ' D' ' 38' ' ' LEU . 2.6 mm -63.61 -44.72 98.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.187 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.23 -40.29 93.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.626 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 55.5 t0 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.552 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.3 t . . . . . 0 C--O 1.235 0.324 0 CA-C-O 120.83 0.347 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 7.2 p -64.21 -42.95 97.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . 0.451 ' N ' ' CG1' ' A' ' 28' ' ' VAL . . . -57.39 -44.23 84.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.438 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.28 -50.77 66.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.564 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.4 m -60.52 -42.75 97.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.704 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 94.0 mt -63.19 -42.48 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.428 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.3 mt -60.99 -43.92 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.641 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.01 -52.62 39.98 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.72 -44.42 93.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.659 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.75 -44.6 95.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.447 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.5 t60 -64.5 -38.91 92.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.498 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.431 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 11.8 mt -61.35 -39.93 92.4 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.137 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 39' ' ' ILE . 88.4 mt -62.04 -44.05 98.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.14 0.495 . . . . 0.0 110.365 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.4 mt -73.77 -41.17 62.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.944 0.402 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -70.48 -45.86 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.575 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . 0.418 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 18.2 tt -63.56 -39.9 87.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.293 -178.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . 0.418 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 35.7 mt -62.44 -41.57 98.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.681 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 -179.829 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' B' ' 29' ' ' ALA . 7.2 p . . . . . 0 CA--C 1.523 -0.08 0 CA-C-O 120.953 0.406 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . 0.456 ' N ' ' CG1' ' B' ' 28' ' ' VAL . . . -57.33 -44.57 84.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.405 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.02 -50.3 66.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.646 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -61.36 -42.4 98.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.681 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.14 -42.28 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 73.7 mt -61.28 -44.01 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.625 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.74 -52.66 40.49 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . 0.402 HG21 HD12 ' B' ' 35' ' ' ILE . 97.1 mt -65.85 -44.66 92.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.942 0.401 . . . . 0.0 110.718 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.51 -44.89 95.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.055 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.456 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.3 t60 -64.12 -39.57 94.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.481 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.447 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 11.4 mt -60.77 -40.08 91.17 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.082 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.85 -43.89 98.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.028 0.442 . . . . 0.0 110.357 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.6 mt -73.93 -41.41 62.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.982 0.42 . . . . 0.0 110.875 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -70.05 -45.91 66.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.567 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 18.1 tt -63.47 -40.49 89.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.326 -178.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . 0.435 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 35.8 mt -61.86 -41.38 97.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 66.8 t0 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.432 -179.694 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' C' ' 29' ' ' ALA . 7.5 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.922 0.391 . . . . 0.0 110.472 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . 0.461 ' N ' ' CG1' ' C' ' 28' ' ' VAL . . . -57.4 -44.31 84.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.443 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.21 -50.52 66.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.563 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -60.99 -42.85 99.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.619 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.11 -42.19 95.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.311 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.17 -43.58 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.725 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.4 -52.63 38.27 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.6 -44.61 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.653 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.6 -44.59 95.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.441 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.5 t60 -64.24 -39.3 93.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.456 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.456 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 11.4 mt -61.28 -39.69 91.36 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . 0.417 HD11 HG22 ' C' ' 39' ' ' ILE . 88.2 mt -62.25 -43.81 98.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.938 0.399 . . . . 0.0 110.287 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 mt -73.95 -41.26 62.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.952 0.406 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 t90 -70.29 -46.26 64.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.588 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 18.3 tt -63.18 -40.19 88.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.423 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . 0.427 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 35.3 mt -62.13 -41.52 98.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.619 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 68.3 t0 . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.465 -179.727 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 95.1 t . . . . . 0 C--O 1.235 0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' D' ' 29' ' ' ALA . 7.3 p -64.37 -42.94 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.581 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . 0.458 ' N ' ' CG1' ' D' ' 28' ' ' VAL . . . -57.54 -44.24 85.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.423 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.19 -50.36 67.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.564 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 49.1 m -61.27 -42.49 98.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.676 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.2 -42.31 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.16 -44.04 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.568 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.93 -52.73 39.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.4 -44.93 94.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.978 0.418 . . . . 0.0 110.739 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.37 -45.02 95.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.072 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.431 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.4 t60 -63.8 -39.49 94.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.435 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.441 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 11.7 mt -61.11 -39.93 91.82 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.243 -179.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.8 -43.93 98.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.107 0.479 . . . . 0.0 110.316 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 55.2 mt -73.94 -41.43 62.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.992 0.425 . . . . 0.0 110.82 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -70.17 -45.72 66.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.634 -178.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 18.1 tt -63.81 -39.59 85.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.342 -178.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 35.6 mt -62.78 -40.87 98.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.737 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 67.8 t0 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.499 -179.745 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.924 0.392 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.3 t -65.97 -43.43 92.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.329 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.56 -31.02 63.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.349 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.68 -42.04 61.84 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.562 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -68.41 -44.36 75.19 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.007 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.25 -35.89 76.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.546 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.8 mt -62.2 -45.71 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.74 -52.01 55.12 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.171 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.5 mm -68.42 -44.34 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.18 -46.38 89.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.607 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' HIS . . . . . 0.445 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.8 t60 -64.93 -41.49 95.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.246 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' LEU . . . . . 0.415 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 9.4 mt -60.92 -40.94 95.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.406 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.87 -44.56 99.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.227 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.76 -43.28 69.13 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.206 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' TRP . . . . . 0.415 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 71.5 t90 -69.06 -46.75 67.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.493 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.3 tt -65.24 -39.67 86.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.953 0.406 . . . . 0.0 110.291 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.12 -41.66 98.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.35 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.325 -0.468 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.482 -179.767 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.9 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.863 0.363 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.67 -30.79 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.259 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.01 -41.96 61.07 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.52 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 77.6 p -68.42 -44.39 75.11 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.025 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.42 -35.76 76.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.573 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 32.0 mt -62.23 -45.57 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.198 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.85 -52.03 54.9 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.128 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 mm -68.31 -44.46 83.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.798 0.333 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.13 -46.38 89.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.58 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 37' ' ' HIS . . . . . 0.424 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 8.0 t60 -65.1 -41.34 95.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.418 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 38' ' ' LEU . . . . . 0.445 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 8.8 mt -60.96 -40.93 95.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.37 -179.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.99 -44.42 99.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.22 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.82 -43.39 68.69 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.145 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 41' ' ' TRP . . . . . 0.407 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 71.5 t90 -68.86 -46.8 67.54 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.647 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 16.3 tt -65.22 -39.72 86.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.276 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.05 -41.62 98.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.434 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.326 -0.427 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.594 -179.772 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.943 0.402 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.51 -30.98 63.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.314 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.76 -42.08 61.57 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.582 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 77.8 p -68.45 -44.19 75.44 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.076 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.45 -35.97 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.468 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 32.5 mt -62.07 -45.69 98.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.154 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.49 -52.3 53.42 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.153 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 39.2 mm -68.25 -44.41 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.71 0.291 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.12 -46.45 88.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.67 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 37' ' ' HIS . . . . . 0.456 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.9 t60 -64.97 -41.2 95.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.389 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 38' ' ' LEU . . . . . 0.424 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 9.3 mt -60.98 -41.1 95.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.304 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.8 -44.48 99.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.134 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.85 -43.3 68.76 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.177 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 71.9 t90 -68.94 -46.76 67.38 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.623 -179.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 16.3 tt -65.22 -39.68 86.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.327 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.09 -41.59 98.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.418 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 C--N 1.326 -0.44 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.592 -179.821 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.336 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 92.6 t -65.96 -43.45 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.369 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.6 -30.83 63.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.389 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.84 -42.07 61.38 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.533 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 77.9 p -68.6 -44.27 74.68 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.948 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 20.3 tt -65.22 -36.12 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.566 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 32.0 mt -62.06 -45.72 98.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.148 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.62 -52.17 54.15 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.198 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 39.0 mm -68.3 -44.34 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.2 -46.24 89.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.799 0.333 . . . . 0.0 110.605 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 37' ' ' HIS . . . . . 0.415 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.9 t60 -65.13 -41.34 94.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.345 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 38' ' ' LEU . . . . . 0.456 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 8.8 mt -60.88 -41.0 95.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.389 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.97 -44.43 99.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.225 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.95 -43.24 68.56 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.116 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 41' ' ' TRP . . . . . 0.405 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 71.4 t90 -68.96 -46.75 67.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.603 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 16.3 tt -65.31 -39.6 85.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.861 0.362 . . . . 0.0 110.351 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.17 -41.59 98.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.394 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.325 -0.49 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.553 -179.788 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.43 ' HG ' ' H ' ' A' ' 20' ' ' ASN . 21.3 p . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.43 ' H ' ' HG ' ' A' ' 19' ' ' SER . 39.0 t30 -63.48 -41.31 98.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.66 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.89 -42.53 99.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.516 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.7 p -67.53 -23.6 65.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.719 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' ASN . 89.7 p -151.96 122.64 7.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.113 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.28 150.18 48.73 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.517 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.94 -20.41 51.25 Favored 'Trans proline' 0 N--CA 1.497 1.68 0 C-N-CA 122.567 2.178 . . . . 0.0 112.079 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.442 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 9.7 mp -62.74 -42.24 99.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.668 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.7 t -64.16 -44.88 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.983 0.42 . . . . 0.0 110.501 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.66 -43.89 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.252 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.57 94.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.407 ' HB3' ' H5 ' ' C' ' 100' ' ' 3LW . . . -54.51 -50.26 68.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.534 -179.805 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -61.96 -42.1 98.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.673 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.49 -42.45 96.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.655 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.95 -45.02 99.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.718 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.9 -50.83 38.46 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.344 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.4 HD13 HG22 ' A' ' 35' ' ' ILE . 97.1 mt -64.85 -43.95 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.624 0.25 . . . . 0.0 111.008 -179.602 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.89 -46.38 89.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.975 0.417 . . . . 0.0 110.88 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.409 ' CD2' ' C ' ' A' ' 37' ' ' HIS . 8.4 t60 -59.68 -39.55 84.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.212 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.31 -38.01 87.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.814 -179.739 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 90.2 mt -59.93 -45.53 95.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.13 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.17 -44.34 60.09 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.46 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.466 ' CZ2' ' NE ' ' A' ' 45' ' ' ARG . 85.1 t90 -65.78 -40.04 91.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.996 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.54 -43.38 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.329 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.6 mt -61.52 -39.84 92.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.426 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.485 ' CG ' ' NH1' ' B' ' 45' ' ' ARG . 32.3 t70 -59.02 -45.91 89.53 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.618 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.476 ' NH1' ' CG ' ' D' ' 44' ' ' ASP . 89.0 mtt-85 -82.78 -14.48 54.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.981 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.4 -45.06 92.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.719 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -66.02 -44.84 83.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.947 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.445 ' O ' ' O ' ' A' ' 45' ' ' ARG . 96.9 m-85 -135.01 151.09 50.49 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.501 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.7 mptt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.122 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.411 ' HG ' ' H ' ' B' ' 20' ' ' ASN . 22.9 p . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' B' ' 23' ' ' SER . 39.2 t30 -63.49 -41.29 98.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.636 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -63.0 -42.4 99.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.542 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 78.3 p -67.43 -23.63 65.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.784 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.425 ' O ' ' O ' ' B' ' 20' ' ' ASN . 89.8 p -151.96 122.7 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.116 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.5 150.18 48.2 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.487 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.8 -20.59 52.0 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 122.624 2.216 . . . . 0.0 112.061 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.449 ' CD1' ' N ' ' B' ' 26' ' ' LEU . 9.7 mp -62.67 -42.22 99.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.616 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 92.3 t -64.05 -45.1 97.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.977 0.417 . . . . 0.0 110.539 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.63 -43.87 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.325 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.72 94.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.478 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.66 -50.2 68.76 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.663 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -61.91 -41.92 98.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.604 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.412 HD12 HG23 ' B' ' 32' ' ' ILE . 96.5 mt -63.56 -42.4 96.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.714 -179.85 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.02 -44.99 99.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.739 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.09 -50.75 37.92 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.278 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.73 -44.01 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.63 0.252 . . . . 0.0 111.002 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.9 -46.42 89.44 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.973 0.416 . . . . 0.0 110.922 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.405 ' CD2' ' C ' ' B' ' 37' ' ' HIS . 8.3 t60 -59.57 -39.61 84.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.286 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 14.3 mt -62.34 -38.04 87.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.793 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.92 -45.56 95.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.109 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.3 mt -73.08 -44.48 60.42 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.482 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.483 ' CZ2' ' NE ' ' B' ' 45' ' ' ARG . 85.1 t90 -65.71 -39.98 91.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.05 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.52 -43.31 96.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.363 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.55 -39.9 92.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.448 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.488 ' CG ' ' NH1' ' C' ' 45' ' ' ARG . 32.6 t70 -58.93 -45.61 89.99 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.676 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.485 ' NH1' ' CG ' ' A' ' 44' ' ' ASP . 88.5 mtt-85 -83.13 -14.45 53.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.021 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.32 -45.09 92.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.791 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -66.14 -44.66 83.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.44 ' O ' ' O ' ' B' ' 45' ' ' ARG . 97.0 m-85 -135.08 150.96 50.34 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.527 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.7 mptt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.178 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 19' ' ' SER . . . . . 0.429 ' HG ' ' H ' ' C' ' 20' ' ' ASN . 21.9 p . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . 0.429 ' H ' ' HG ' ' C' ' 19' ' ' SER . 38.7 t30 -63.4 -41.31 98.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.61 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.93 -42.47 99.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.527 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -67.54 -23.47 65.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.761 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 23' ' ' SER . . . . . 0.429 ' O ' ' O ' ' C' ' 20' ' ' ASN . 90.5 p -151.99 122.67 7.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.096 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.5 150.13 48.11 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.499 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -66.8 -20.48 52.1 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.605 2.204 . . . . 0.0 112.056 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.45 ' N ' ' CD1' ' C' ' 26' ' ' LEU . 9.7 mp -62.68 -42.26 99.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.602 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.1 -44.95 97.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.935 0.398 . . . . 0.0 110.523 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 96.3 t -62.64 -43.93 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.339 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.55 94.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.6 -50.25 68.51 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.585 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 51.6 m -62.0 -42.05 98.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.667 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.49 -42.4 96.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.718 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.9 -45.06 98.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.757 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . 1.061 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -68.15 -50.67 38.08 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.377 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.79 -43.87 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.671 0.272 . . . . 0.0 111.008 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.97 -46.46 89.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.91 0.386 . . . . 0.0 110.874 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.41 ' CD2' ' C ' ' C' ' 37' ' ' HIS . 8.3 t60 -59.65 -39.45 84.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.266 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 14.1 mt -62.34 -38.03 87.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.822 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.94 -45.56 95.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.084 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.15 -44.46 60.04 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.458 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.481 ' CZ2' ' NE ' ' C' ' 45' ' ' ARG . 85.2 t90 -65.69 -39.96 91.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.019 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.48 -43.39 96.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.277 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.65 -39.82 92.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.456 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.474 ' CG ' ' NH1' ' D' ' 45' ' ' ARG . 32.8 t70 -58.94 -45.55 90.14 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.649 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.488 ' NH1' ' CG ' ' B' ' 44' ' ' ASP . 88.5 mtt-85 -83.18 -14.4 53.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.996 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.46 -45.03 92.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.758 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -66.25 -44.42 83.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.89 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.45 ' O ' ' O ' ' C' ' 45' ' ' ARG . 96.9 m-85 -135.32 151.12 50.22 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.587 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 14.7 mptt . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.136 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' D' D ' 19' ' ' SER . . . . . 0.4 ' HG ' ' H ' ' D' ' 20' ' ' ASN . 24.6 p . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' D' ' 23' ' ' SER . 39.3 t30 -63.44 -41.35 98.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.618 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -63.05 -42.33 99.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.565 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -67.77 -23.35 65.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.742 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 23' ' ' SER . . . . . 0.42 ' O ' ' O ' ' D' ' 20' ' ' ASN . 92.5 p -152.14 122.67 7.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.076 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.61 150.24 48.09 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.494 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.86 -20.49 51.69 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 122.585 2.19 . . . . 0.0 112.091 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.447 ' N ' ' CD1' ' D' ' 26' ' ' LEU . 9.7 mp -62.7 -42.19 99.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.625 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.17 -44.92 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.386 . . . . 0.0 110.503 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.75 -43.81 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.328 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.67 94.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.56 -50.19 68.55 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.551 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 53.7 m -61.99 -42.02 98.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.611 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.413 HD12 HG23 ' D' ' 32' ' ' ILE . 96.6 mt -63.56 -42.4 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.742 -179.832 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.0 -45.07 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.718 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.01 -50.71 38.68 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.29 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.87 -43.91 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.023 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.95 -46.41 89.41 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.859 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.41 ' CD2' ' C ' ' D' ' 37' ' ' HIS . 8.2 t60 -59.58 -39.58 84.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.216 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 14.2 mt -62.38 -38.02 87.97 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.701 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.6 mt -59.91 -45.47 95.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.084 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 87.3 mt -73.17 -44.53 59.76 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.451 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.475 ' CZ2' ' NE ' ' D' ' 45' ' ' ARG . 85.2 t90 -65.64 -40.04 92.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.984 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.46 -43.31 96.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.362 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.73 -39.74 92.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.413 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.476 ' CG ' ' NH1' ' A' ' 45' ' ' ARG . 32.9 t70 -58.93 -45.58 90.05 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.598 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.475 ' NE ' ' CZ2' ' D' ' 41' ' ' TRP . 89.1 mtt-85 -83.31 -14.34 53.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.45 -45.06 92.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.727 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -66.15 -44.58 83.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.451 ' O ' ' O ' ' D' ' 45' ' ' ARG . 96.9 m-85 -135.17 151.05 50.3 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.566 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 14.7 mptt . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.174 -179.919 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 1.061 'BR ' ' HA3' ' C' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.3 p . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 56.74 41.92 27.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.541 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -71.82 -10.68 60.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.664 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -60.73 -44.17 96.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.64 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.1 m -147.21 123.33 10.81 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.138 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.35 151.5 37.49 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.375 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -67.96 -19.87 45.51 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 122.436 2.091 . . . . 0.0 112.133 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.434 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 10.1 mp -62.64 -42.08 99.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.524 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.72 -47.69 91.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.99 0.424 . . . . 0.0 110.51 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.9 t -65.6 -43.8 93.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.191 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.92 -40.62 96.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.561 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.446 ' HB3' ' H5A' ' C' ' 100' ' ' 3LW . . . -55.55 -49.36 72.87 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.475 -179.844 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -62.11 -41.78 98.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.509 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.82 -42.34 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.2 mt -61.43 -44.56 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.932 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.11 -51.75 42.22 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.336 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.92 -44.52 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.727 0.298 . . . . 0.0 111.232 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.44 -44.42 94.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.639 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.416 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 8.2 t60 -60.34 -40.84 92.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.127 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.429 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 11.9 mt -61.23 -39.36 90.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.152 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.25 -44.31 98.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.893 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.437 ' N ' ' CD2' ' A' ' 40' ' ' LEU . 4.0 mm? -72.43 -43.41 63.85 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.348 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -69.31 -43.11 74.43 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 17.9 tt -63.84 -41.02 91.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.323 -179.138 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.97 -44.13 97.4 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.791 0.329 . . . . 0.0 110.219 -179.569 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.9 -42.23 99.71 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.332 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 -78.78 -17.03 56.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.007 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.63 -42.52 99.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.446 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -99.54 24.4 8.25 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -45.14 161.23 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.472 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.562 -179.725 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.8 p . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 56.78 41.84 27.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.638 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -71.91 -10.38 59.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.645 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.06 -44.09 97.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.555 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 66.8 m -147.14 123.13 10.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.14 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.22 151.55 35.77 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.307 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -67.98 -19.96 45.28 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 122.423 2.082 . . . . 0.0 112.09 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.438 ' N ' ' CD1' ' B' ' 26' ' ' LEU . 10.1 mp -62.56 -42.12 99.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.468 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.6 t -62.54 -47.87 90.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 120.998 0.427 . . . . 0.0 110.484 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 93.3 t -65.55 -43.77 94.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.266 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.41 95.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.551 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.57 -49.46 72.66 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.415 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.6 m -62.03 -41.85 98.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.52 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.79 -42.33 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.714 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.55 -44.42 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.804 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.28 -51.64 42.13 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.325 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.93 -44.61 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.703 0.287 . . . . 0.0 111.244 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.32 -44.42 95.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.624 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.432 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 8.2 t60 -60.38 -40.77 92.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.102 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.416 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 12.1 mt -61.42 -39.33 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.092 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.21 -44.35 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.851 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.436 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 4.0 mm? -72.36 -43.35 64.15 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.406 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -69.49 -43.12 73.79 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 17.9 tt -63.65 -41.13 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.435 -179.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.74 -44.2 97.36 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.895 0.379 . . . . 0.0 110.255 -179.602 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.03 -42.2 99.7 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.369 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -78.71 -16.94 56.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.74 -42.49 99.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.488 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -99.61 24.42 8.27 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.196 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -45.19 161.15 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.485 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.514 -179.723 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 51.6 p . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 56.67 41.84 27.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.686 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -71.78 -10.64 60.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.613 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -60.78 -44.21 97.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.644 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 67.8 m -147.09 123.27 10.85 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.131 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.36 151.48 37.73 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.385 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -67.91 -19.94 45.73 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.399 2.066 . . . . 0.0 112.1 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.435 ' N ' ' CD1' ' C' ' 26' ' ' LEU . 10.2 mp -62.6 -42.09 99.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.473 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.69 -47.75 91.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.956 0.407 . . . . 0.0 110.432 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.55 -43.84 94.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.18 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.46 95.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.573 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.54 -49.48 72.53 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.398 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 50.4 m -62.04 -41.79 98.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.565 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.88 -42.28 95.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.693 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.49 -44.48 98.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.813 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . 0.889 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -66.2 -51.75 41.75 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.369 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.89 -44.58 92.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.669 0.271 . . . . 0.0 111.256 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.31 -44.47 94.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.378 . . . . 0.0 110.64 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.41 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 8.1 t60 -60.37 -40.75 91.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.06 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.432 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 11.9 mt -61.42 -39.29 90.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.114 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.22 -44.37 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.92 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.437 ' N ' ' CD2' ' C' ' 40' ' ' LEU . 4.0 mm? -72.31 -43.48 64.1 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.367 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -69.39 -43.02 74.35 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 17.8 tt -63.8 -41.01 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.417 -179.23 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.02 -44.21 97.2 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.17 -179.549 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -62.81 -42.16 99.6 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.363 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -78.85 -16.87 56.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.969 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.76 -42.45 99.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.828 0.347 . . . . 0.0 110.432 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -99.56 24.35 8.33 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -45.16 161.16 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.448 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.449 -179.691 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 50.8 p . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 56.75 41.96 27.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.641 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -72.03 -10.48 59.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.583 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -60.85 -44.23 97.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.637 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 67.3 m -147.07 123.09 10.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.162 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.24 151.51 36.17 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.392 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -67.97 -19.94 45.37 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 122.451 2.101 . . . . 0.0 112.105 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.433 ' N ' ' CD1' ' D' ' 26' ' ' LEU . 10.1 mp -62.51 -42.05 99.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.524 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.77 -47.61 92.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.891 0.376 . . . . 0.0 110.585 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.56 -43.81 94.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.287 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.63 96.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.586 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.59 -49.4 72.86 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.407 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -62.06 -41.77 98.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.595 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.92 -42.25 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.669 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.45 -44.56 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.892 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.12 -51.78 41.94 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.38 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.82 -44.62 92.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.689 0.281 . . . . 0.0 111.256 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.34 -44.44 94.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.637 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.429 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 8.2 t60 -60.38 -40.79 92.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.071 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.41 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 12.1 mt -61.42 -39.33 90.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.097 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.27 -44.33 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 119.89 -0.724 . . . . 0.0 109.911 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . 0.439 ' N ' ' CD2' ' D' ' 40' ' ' LEU . 4.0 mm? -72.28 -43.33 64.41 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.391 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 73.3 t90 -69.55 -42.98 73.85 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 17.9 tt -63.88 -40.91 90.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.402 -179.186 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.82 -44.3 97.13 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 110.235 -179.626 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.92 -42.16 99.7 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.385 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -78.83 -16.9 56.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.59 -42.68 99.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 110.429 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -99.53 24.37 8.27 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -45.17 161.11 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.599 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.518 -179.657 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 0.889 'BR ' ' HA3' ' C' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 56.41 41.74 28.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.659 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -74.93 -7.41 53.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.8 t -61.46 -44.05 97.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.2 t -82.61 92.18 7.09 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.686 -0.486 . . . . 0.0 109.686 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -70.02 151.03 96.21 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.568 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -43.82 -29.48 2.49 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.201 1.934 . . . . 0.0 112.465 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.55 -42.83 99.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.574 -179.2 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.3 t -63.58 -47.86 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.005 0.431 . . . . 0.0 110.503 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.1 t -64.57 -44.38 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.326 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.12 95.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.49 -50.02 68.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.519 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.0 t -62.91 -42.67 99.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.588 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.12 -42.4 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.642 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.2 mt -60.38 -44.79 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.815 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.65 -51.91 38.2 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.381 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.41 HG21 HD13 ' A' ' 35' ' ' ILE . 97.0 mt -65.28 -43.43 95.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.679 0.276 . . . . 0.0 111.237 -179.663 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.19 -46.38 90.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.432 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.7 t60 -59.85 -40.1 87.43 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.098 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.421 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 9.2 mt -60.86 -39.19 88.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.18 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.103 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp -72.81 -44.66 61.21 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.187 179.597 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 76.9 t90 -66.45 -46.44 76.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.504 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.409 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 16.3 tt -65.9 -32.64 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.412 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.56 -45.99 91.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.502 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 45' ' ' ARG . 2.2 p30 -64.92 -35.87 82.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.054 0.454 . . . . 0.0 110.371 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.54 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 72.5 ttt180 -63.02 -36.48 83.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.817 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tt -59.72 -44.96 93.52 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 110.28 -178.726 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -61.08 -42.78 99.14 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.408 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -152.35 156.12 38.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.537 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.526 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 56.5 41.67 28.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -74.96 -7.36 53.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.571 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 41.2 t -61.61 -43.94 97.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 33.8 t -82.63 92.32 7.12 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -70.15 150.93 96.07 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.578 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -43.69 -29.62 2.41 Favored 'Trans proline' 0 N--CA 1.492 1.399 0 C-N-CA 122.303 2.002 . . . . 0.0 112.389 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.406 ' N ' ' CD1' ' B' ' 26' ' ' LEU . 10.7 mp -61.49 -42.78 99.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.527 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 82.3 t -63.73 -47.69 89.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 110.512 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.64 -44.31 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.348 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.96 95.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.6 -50.02 69.04 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.457 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 38.6 t -62.88 -42.74 99.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 110.622 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.13 -42.33 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.636 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 69.5 mt -60.59 -44.74 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.707 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.5 -51.95 38.67 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.463 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.28 -43.51 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 111.26 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.17 -46.38 90.72 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.068 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.433 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.6 t60 -59.9 -40.03 87.41 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.047 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.432 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 9.0 mt -60.72 -39.27 88.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.1 -44.64 99.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.144 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.0 mp -72.88 -44.64 61.07 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.138 179.709 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.414 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 77.0 t90 -66.17 -46.73 76.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.531 -179.165 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.419 ' CG2' ' O ' ' B' ' 38' ' ' LEU . 16.3 tt -65.88 -32.51 58.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.846 0.355 . . . . 0.0 110.487 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.58 -45.89 92.26 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.599 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' B' ' 45' ' ' ARG . 2.2 p30 -65.02 -35.8 82.35 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.266 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.541 ' N ' ' OD1' ' B' ' 44' ' ' ASP . 72.6 ttt180 -62.97 -36.4 83.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tt -59.75 -44.88 93.62 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.371 -178.757 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -61.12 -42.86 99.3 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.368 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.404 ' O ' ' O ' ' B' ' 45' ' ' ARG . 54.1 p90 -152.26 156.03 38.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.521 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.483 179.916 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 56.53 41.65 28.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.608 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -74.96 -7.36 53.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.609 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 41.1 t -61.56 -43.96 97.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 32.2 t -82.77 92.32 7.21 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -69.96 151.03 96.29 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -43.82 -29.45 2.47 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.193 1.929 . . . . 0.0 112.516 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 10.7 mp -61.69 -42.6 99.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.562 -179.122 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 83.3 t -63.75 -47.74 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.966 0.412 . . . . 0.0 110.505 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 83.5 t -64.71 -44.4 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.283 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.99 95.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.551 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.08 68.74 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.453 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 38.9 t -62.84 -42.72 99.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.632 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.11 -42.27 95.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.635 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 69.0 mt -60.56 -44.7 97.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.822 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.59 -52.02 37.64 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.337 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.17 -43.55 95.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.735 0.302 . . . . 0.0 111.163 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.19 -46.41 90.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.059 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.454 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.6 t60 -59.87 -40.05 87.35 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.078 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.433 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 9.3 mt -60.85 -39.21 88.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.027 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.23 -44.49 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.175 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 11.1 mp -72.87 -44.81 60.89 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.999 179.754 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 76.8 t90 -66.19 -46.57 76.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.504 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.41 ' CG2' ' O ' ' C' ' 38' ' ' LEU . 16.4 tt -65.88 -32.63 58.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.374 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.58 -45.95 92.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.571 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' C' ' 45' ' ' ARG . 2.2 p30 -65.0 -35.77 82.27 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.426 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.526 ' N ' ' OD1' ' C' ' 44' ' ' ASP . 72.8 ttt180 -63.03 -36.45 83.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tt -59.68 -44.9 93.44 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.871 0.367 . . . . 0.0 110.369 -178.795 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -61.15 -42.82 99.24 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.357 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.412 ' O ' ' O ' ' C' ' 45' ' ' ARG . 53.9 p90 -152.31 156.17 39.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.62 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.454 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 56.46 41.61 28.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -74.99 -7.39 53.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.488 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 41.2 t -61.52 -43.92 98.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 32.4 t -82.78 92.57 7.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -70.21 150.86 95.99 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.529 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -43.67 -29.52 2.34 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.269 1.98 . . . . 0.0 112.453 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.408 ' N ' ' CD1' ' D' ' 26' ' ' LEU . 10.7 mp -61.58 -42.85 99.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.547 -179.11 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 83.4 t -63.6 -47.68 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.977 0.418 . . . . 0.0 110.511 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 82.3 t -64.74 -44.34 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.26 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.03 95.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.481 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.423 ' O ' 'BR ' ' C' ' 100' ' ' 3LW . . . -54.43 -50.03 68.59 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.573 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 38.7 t -62.91 -42.62 99.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.752 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.16 -42.32 96.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.615 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.55 -44.75 97.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.835 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . 0.581 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -66.51 -52.04 37.92 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.374 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . 0.418 HD13 HG21 ' D' ' 35' ' ' ILE . 97.0 mt -65.13 -43.52 95.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.766 0.317 . . . . 0.0 111.254 -179.675 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.17 -46.5 90.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.037 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.421 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.7 t60 -60.0 -39.89 87.32 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.101 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 8.9 mt -60.79 -39.26 88.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.16 -44.44 99.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.226 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 11.0 mp -72.96 -44.64 60.88 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.979 179.72 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.416 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 77.4 t90 -66.14 -46.63 76.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.563 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.416 ' CG2' ' O ' ' D' ' 38' ' ' LEU . 16.3 tt -66.02 -32.55 58.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.415 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.56 -45.95 91.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.528 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' D' ' 45' ' ' ARG . 2.2 p30 -65.0 -35.76 82.24 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.332 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.532 ' N ' ' OD1' ' D' ' 44' ' ' ASP . 72.7 ttt180 -63.04 -36.54 83.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.796 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tt -59.73 -44.86 93.58 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.258 -178.682 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -61.15 -42.82 99.24 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.342 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' D' ' 45' ' ' ARG . 54.0 p90 -152.3 156.21 39.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.533 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.55 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 0.581 'BR ' ' HA3' ' D' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -85.03 142.25 29.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.285 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.1 p30 -82.59 -1.6 51.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.557 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -61.87 -43.87 97.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.707 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.0 m -83.67 94.34 8.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.055 0.455 . . . . 0.0 110.463 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.89 152.68 75.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.55 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -44.15 -36.11 8.49 Favored 'Trans proline' 0 N--CA 1.49 1.32 0 C-N-CA 122.427 2.085 . . . . 0.0 112.338 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.415 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 10.6 mp -62.29 -41.9 98.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.404 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.0 t -62.81 -47.17 94.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.902 0.382 . . . . 0.0 110.53 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.49 -44.38 96.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.8 90.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.718 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.62 -49.46 67.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.574 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.0 p -64.46 -41.26 96.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.74 -42.42 95.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.537 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.1 mt -61.13 -43.99 97.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.785 -179.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.85 -52.56 41.13 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.39 -44.11 90.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.691 0.282 . . . . 0.0 110.77 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.49 -46.84 88.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.215 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.437 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.4 t60 -61.9 -39.02 90.54 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.49 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.443 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 11.9 mt -61.45 -40.21 93.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.371 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.66 -43.34 96.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.08 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.446 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 4.2 mm? -73.39 -44.24 58.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.092 0.473 . . . . 0.0 111.227 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.409 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 75.5 t90 -67.89 -46.76 70.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.543 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.424 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 16.5 tt -64.27 -34.52 69.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.359 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.3 tp -61.34 -42.8 99.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.331 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.514 ' CG ' HH12 ' B' ' 45' ' ' ARG . 64.1 t0 -60.83 -43.2 98.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.427 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.515 HH12 ' CG ' ' D' ' 44' ' ' ASP . 60.3 ttt85 -68.14 -20.78 64.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.629 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.87 -44.17 97.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.351 0.596 . . . . 0.0 110.291 -179.106 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -61.0 -42.18 97.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.749 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' A' ' 45' ' ' ARG . 28.1 m-85 -89.4 128.97 35.98 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.947 0.403 . . . . 0.0 110.392 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 tttp . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.542 179.883 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -84.24 142.37 30.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.417 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 p30 -82.93 -1.61 52.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.525 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 12.0 t -62.01 -43.71 98.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.586 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.9 m -83.99 94.39 8.28 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.041 0.448 . . . . 0.0 110.37 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.93 152.71 75.89 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.61 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -43.94 -36.24 8.01 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.404 2.069 . . . . 0.0 112.409 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.426 ' CD1' ' N ' ' B' ' 26' ' ' LEU . 10.5 mp -62.14 -41.75 98.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.376 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.12 -47.03 94.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.539 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.51 -44.54 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.378 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.5 90.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.601 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.11 -49.25 69.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.7 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -64.73 -40.93 96.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.727 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.99 -42.56 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.519 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 70.3 mt -60.94 -44.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.672 -179.579 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.57 -52.98 38.24 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.337 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.03 -44.25 92.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.23 -47.35 86.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.165 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.422 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.6 t60 -61.28 -39.19 89.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.597 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.437 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 12.0 mt -61.27 -40.3 93.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.498 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.6 -43.25 96.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.11 0.481 . . . . 0.0 110.15 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.441 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 4.2 mm? -73.6 -44.04 58.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.015 0.436 . . . . 0.0 111.174 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -67.99 -46.58 70.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.503 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.43 ' CG2' ' O ' ' B' ' 38' ' ' LEU . 16.8 tt -64.47 -34.25 68.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.28 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.69 -42.74 99.35 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.299 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.529 ' CG ' HH12 ' C' ' 45' ' ' ARG . 65.3 t0 -61.05 -42.61 98.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.459 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.514 HH12 ' CG ' ' A' ' 44' ' ' ASP . 59.9 ttt85 -68.61 -21.04 64.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.589 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.7 tt -61.61 -44.32 97.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.39 0.614 . . . . 0.0 110.274 -179.162 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -60.87 -42.16 97.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.816 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.438 ' O ' ' O ' ' B' ' 45' ' ' ARG . 28.4 m-85 -89.35 129.35 35.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.382 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.5 tttp . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.446 179.929 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -84.13 142.13 30.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.437 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -82.92 -1.71 52.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.513 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -62.07 -43.19 99.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.571 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 13.0 m -84.41 94.6 8.54 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.034 0.445 . . . . 0.0 110.447 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -62.1 152.96 76.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.616 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -44.24 -36.11 8.74 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.342 2.028 . . . . 0.0 112.265 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.433 ' N ' ' CD1' ' C' ' 26' ' ' LEU . 10.4 mp -62.28 -41.71 98.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.455 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.98 -47.23 93.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.934 0.397 . . . . 0.0 110.592 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 89.7 t -64.46 -44.56 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.373 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.46 -38.54 90.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.677 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.02 -49.27 69.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.633 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 78.4 p -64.48 -41.35 96.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.808 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.78 -42.46 95.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.438 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . 0.947 HG21 'BR ' ' C' ' 100' ' ' 3LW . 69.3 mt -60.88 -44.26 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.734 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.49 -52.61 41.8 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.469 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.9 mt -66.49 -44.15 90.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.713 0.292 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.22 -47.16 87.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.927 0.394 . . . . 0.0 111.205 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.454 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.4 t60 -61.65 -39.18 90.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.621 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.422 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 11.8 mt -61.31 -40.07 92.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.372 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.83 -43.33 97.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.106 0.479 . . . . 0.0 110.217 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.444 ' N ' ' CD2' ' C' ' 40' ' ' LEU . 4.2 mm? -73.45 -43.8 59.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.087 0.47 . . . . 0.0 111.186 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.407 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 75.9 t90 -68.31 -46.78 69.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.486 -179.093 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.422 ' CG2' ' O ' ' C' ' 38' ' ' LEU . 16.7 tt -64.26 -34.17 67.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.236 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 48.4 tp -61.68 -42.93 99.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.266 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.508 ' CG ' HH12 ' D' ' 45' ' ' ARG . 66.1 t0 -60.82 -43.18 98.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.342 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.529 HH12 ' CG ' ' B' ' 44' ' ' ASP . 60.1 ttt85 -68.21 -20.86 64.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.566 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.66 -44.25 97.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.463 0.649 . . . . 0.0 110.318 -179.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -61.13 -42.03 97.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.77 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.435 ' O ' ' O ' ' C' ' 45' ' ' ARG . 28.4 m-85 -89.58 128.93 36.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.378 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 tttp . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 117.953 -1.023 . . . . 0.0 110.494 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 65.3 m . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -84.81 142.15 29.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.458 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 36.3 p30 -82.5 -1.61 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.458 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -62.03 -43.64 98.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.69 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 11.6 m -84.12 94.4 8.34 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.447 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.84 152.92 74.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.551 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -44.39 -35.89 8.96 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 122.308 2.006 . . . . 0.0 112.27 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.432 ' N ' ' CD1' ' D' ' 26' ' ' LEU . 10.4 mp -62.5 -41.81 99.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.373 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.89 -47.32 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.506 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.1 t -64.59 -44.23 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.426 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.4 89.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.711 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.29 -49.65 69.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.694 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -63.99 -41.35 97.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 110.783 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.81 -42.6 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.474 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 69.1 mt -60.87 -44.04 96.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.773 -179.586 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.81 -52.51 41.7 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.374 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.39 -44.3 90.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.801 0.334 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.17 -47.37 86.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.443 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.4 t60 -61.27 -39.49 90.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.456 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.454 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 11.9 mt -61.08 -40.3 93.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.474 -179.213 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.6 -43.41 96.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 121.045 0.45 . . . . 0.0 110.08 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . 0.442 ' N ' ' CD2' ' D' ' 40' ' ' LEU . 4.2 mm? -73.39 -43.93 59.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.144 0.497 . . . . 0.0 111.226 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.412 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 75.6 t90 -68.09 -47.02 69.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.451 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.429 ' CG2' ' O ' ' D' ' 38' ' ' LEU . 16.6 tt -64.14 -34.33 68.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.309 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 tp -61.48 -42.95 99.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.412 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.515 ' CG ' HH12 ' A' ' 45' ' ' ARG . 64.2 t0 -60.72 -43.29 98.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.394 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.508 HH12 ' CG ' ' C' ' 44' ' ' ASP . 60.3 ttt85 -68.08 -20.7 64.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.659 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 1.6 tt -61.76 -44.32 97.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.326 0.584 . . . . 0.0 110.291 -179.134 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -60.93 -42.15 97.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.812 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' D' ' 45' ' ' ARG . 29.0 m-85 -89.39 129.08 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.427 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 61.5 tttp . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.491 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 0.947 'BR ' HG21 ' C' ' 33' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 76.9 p . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.524 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 22.5 p30 -64.11 -35.29 80.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.528 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 22' ' ' SER . 43.9 p-10 -63.83 -34.01 76.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.613 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.532 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 38.3 t -61.18 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.0 t -117.93 102.1 8.8 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.092 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.43 152.94 96.24 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.674 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -47.48 -36.11 23.26 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.255 1.97 . . . . 0.0 112.186 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.21 -43.07 99.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.773 0.321 . . . . 0.0 110.635 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.0 t -63.73 -48.59 85.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 121.213 0.53 . . . . 0.0 110.465 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.81 -47.14 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.269 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.04 -41.55 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.426 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.38 79.49 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.511 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.2 m -61.31 -46.29 90.91 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.481 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 1.4 mp -66.76 -42.48 89.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.576 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.5 mt -58.32 -47.97 86.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.84 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.3 -48.87 35.66 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.472 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.401 HD13 HG23 ' A' ' 35' ' ' ILE . 97.2 mt -64.13 -44.58 97.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.678 0.275 . . . . 0.0 110.913 -179.33 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.73 -44.69 95.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.952 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' A' ' 37' ' ' HIS . 7.8 t60 -59.57 -41.07 89.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.29 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' O ' ' CG1' ' A' ' 42' ' ' ILE . 18.7 mt -62.18 -40.2 95.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.0 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.1 mt -59.23 -48.71 85.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.662 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.7 tp -72.27 -44.3 63.02 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.062 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -64.44 -36.51 84.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.709 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' A' ' 38' ' ' LEU . 2.8 mm -63.2 -43.52 98.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.58 -40.63 92.44 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.461 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 67.6 t0 -60.18 -36.23 77.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.519 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.424 ' O ' ' O ' ' A' ' 48' ' ' PHE . 60.5 ttt85 -60.11 -42.51 94.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.593 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 mt -61.6 -44.56 96.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.919 0.39 . . . . 0.0 110.766 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -69.33 -40.57 77.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.566 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.487 ' CE2' ' OXT' ' B' ' 49' ' ' LYS . 87.1 m-85 -128.94 130.76 47.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.458 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.347 179.914 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.9 p . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' B' ' 21' ' ' ASP . 22.5 p30 -64.3 -35.51 81.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.484 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' B' ' 20' ' ' ASN . 43.3 p-10 -63.64 -33.93 76.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.607 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.525 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 38.7 t -61.15 -43.62 98.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.8 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 48.2 t -117.81 102.23 8.94 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.98 0.419 . . . . 0.0 110.111 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.42 153.15 96.08 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.698 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -47.57 -36.13 23.94 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.201 1.934 . . . . 0.0 112.304 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.25 -43.14 99.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.596 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.0 t -64.08 -48.19 86.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 121.177 0.513 . . . . 0.0 110.358 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.96 -47.02 94.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.215 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.04 -41.93 65.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.578 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.46 -42.56 78.39 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.589 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 55.9 m -61.03 -46.15 91.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.484 ' N ' ' CD1' ' B' ' 32' ' ' ILE . 1.4 mp -67.32 -42.14 87.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.452 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 68.1 mt -58.49 -47.69 87.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.746 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 1.021 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -70.55 -48.84 34.03 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.456 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.24 -44.55 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.302 . . . . 0.0 110.885 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.76 -44.65 95.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.947 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -59.63 -41.06 89.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.35 -179.603 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 18.6 mt -62.22 -40.07 94.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.1 mt -59.19 -48.78 85.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.674 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -72.4 -44.17 62.86 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.042 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -64.39 -36.56 84.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.722 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.39 -43.58 98.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.3 -40.67 91.33 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.452 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' B' ' 44' ' ' ASP . 67.5 t0 -60.3 -36.28 77.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.423 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.421 ' O ' ' O ' ' B' ' 48' ' ' PHE . 60.6 ttt85 -60.19 -42.59 95.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.61 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.38 -44.59 96.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 110.759 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -69.29 -40.93 77.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.496 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.516 ' CE2' ' OXT' ' C' ' 49' ' ' LYS . 87.4 m-85 -128.55 131.1 48.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . 0.487 ' OXT' ' CE2' ' A' ' 48' ' ' PHE . 87.2 tttt . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.372 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 72.6 p . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . 0.524 ' OD1' ' N ' ' C' ' 21' ' ' ASP . 22.5 p30 -64.29 -35.3 80.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.493 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' C' ' 22' ' ' SER . 44.3 p-10 -63.96 -33.68 76.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.578 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 22' ' ' SER . . . . . 0.532 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 39.0 t -61.29 -43.7 98.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.807 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 46.5 t -117.83 101.89 8.66 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.033 0.444 . . . . 0.0 110.076 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.11 153.32 96.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.682 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -47.8 -36.21 25.74 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.295 1.997 . . . . 0.0 112.196 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.17 -43.12 99.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.634 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.8 -48.41 86.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.102 0.477 . . . . 0.0 110.295 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 80.1 t -62.93 -47.68 91.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.168 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.37 -41.72 63.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.49 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.66 -42.64 79.32 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.537 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 56.8 m -61.03 -46.14 91.94 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.484 ' CD1' ' N ' ' C' ' 32' ' ' ILE . 1.4 mp -67.04 -42.35 88.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.471 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.43 -47.81 86.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.828 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.43 -48.78 35.21 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.48 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.26 -44.66 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.637 0.256 . . . . 0.0 111.012 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.61 -44.8 95.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.854 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.405 ' CD2' ' C ' ' C' ' 37' ' ' HIS . 7.7 t60 -59.41 -41.12 88.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.425 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 18.7 mt -62.11 -40.33 95.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.03 -179.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.7 mt -59.13 -48.84 85.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.551 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.9 tp -72.15 -44.55 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.019 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -63.98 -36.76 85.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.804 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.25 -43.57 98.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.804 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.44 -40.63 91.8 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.319 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' C' ' 44' ' ' ASP . 67.3 t0 -60.11 -36.29 77.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.542 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' C' ' 48' ' ' PHE . 60.6 ttt85 -60.32 -42.48 95.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.672 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 8.8 mt -61.57 -44.47 96.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.695 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -69.25 -40.77 77.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.477 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.443 ' CE2' ' OXT' ' D' ' 49' ' ' LYS . 87.7 m-85 -128.87 131.1 47.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.431 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . 0.516 ' OXT' ' CE2' ' B' ' 48' ' ' PHE . 87.3 tttt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.33 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' D' ' 21' ' ' ASP . 22.6 p30 -63.89 -35.59 81.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.575 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' D' ' 22' ' ' SER . 43.6 p-10 -63.67 -33.82 76.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.54 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 22' ' ' SER . . . . . 0.522 ' N ' ' OD1' ' D' ' 21' ' ' ASP . 39.1 t -61.18 -43.53 98.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 48.5 t -117.99 102.16 8.84 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.984 0.421 . . . . 0.0 110.104 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.29 153.02 96.31 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.711 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.53 -36.02 23.41 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.269 1.979 . . . . 0.0 112.249 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.29 -43.33 99.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.613 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 81.1 t -63.82 -48.44 86.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.099 0.476 . . . . 0.0 110.447 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 78.6 t -62.79 -47.34 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.2 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.94 -41.33 64.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.49 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.04 -42.46 80.53 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 53.5 m -61.0 -46.09 92.18 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.485 ' N ' ' CD1' ' D' ' 32' ' ' ILE . 1.4 mp -67.21 -42.17 87.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.56 -47.45 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.93 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.73 -48.64 33.8 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 120.636 -0.793 . . . . 0.0 111.478 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.38 -44.65 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.682 0.277 . . . . 0.0 110.892 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.74 -44.7 95.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.925 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.407 ' CD2' ' C ' ' D' ' 37' ' ' HIS . 7.5 t60 -59.43 -41.21 89.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.401 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 18.4 mt -62.03 -40.1 94.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.182 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 93.7 mt -59.21 -48.7 85.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.612 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.9 tp -72.45 -44.28 62.58 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.032 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -64.29 -36.67 84.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.78 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.19 -43.9 99.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.847 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 52.7 tp -60.21 -40.52 90.4 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.451 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 67.6 t0 -60.3 -36.2 77.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.458 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' D' ' 48' ' ' PHE . 60.6 ttt85 -60.21 -42.6 95.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.628 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 8.8 mt -61.58 -44.38 97.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.628 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -69.39 -40.72 77.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.497 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' D' ' 45' ' ' ARG . 86.6 m-85 -128.83 131.22 47.7 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . 0.443 ' OXT' ' CE2' ' C' ' 48' ' ' PHE . 87.4 tttt . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.388 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 1.021 'BR ' ' HA3' ' B' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 p . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 40.3 p30 -65.59 -28.44 69.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.579 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.532 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 99.3 m-20 -62.5 -42.81 99.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.654 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.9 t -62.13 -43.08 99.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.448 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 t 44.77 91.43 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.312 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -50.45 148.79 6.24 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.608 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -68.68 -17.1 42.75 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.463 2.109 . . . . 0.0 111.958 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.466 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 9.0 mp -62.1 -43.27 99.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.616 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.49 -48.95 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.732 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.33 -44.18 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.364 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.66 -39.81 95.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.483 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.441 ' HB3' ' H5 ' ' C' ' 100' ' ' 3LW . . . -54.65 -49.91 69.45 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.291 -179.91 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.7 t -62.32 -42.99 99.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.784 179.45 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.03 -42.36 96.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.739 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 75.3 mt -61.14 -44.4 98.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.91 -179.693 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.47 -52.5 39.09 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.377 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.401 HD11 HG21 ' A' ' 35' ' ' ILE . 97.1 mt -65.83 -44.37 92.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-O 120.704 0.288 . . . . 0.0 111.298 -179.604 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.15 -45.88 89.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.887 0.375 . . . . 0.0 110.695 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.425 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.9 t60 -60.15 -40.48 90.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.232 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.434 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 11.1 mt -60.52 -40.07 90.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.171 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.46 -44.81 99.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.0 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.43 ' CD2' ' N ' ' A' ' 40' ' ' LEU . 4.1 mm? -70.51 -43.49 69.55 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.173 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.418 ' CH2' ' NH1' ' A' ' 45' ' ' ARG . 73.5 t90 -69.27 -46.91 66.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.693 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.413 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 15.1 tt -65.2 -40.79 89.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.194 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.413 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 49.4 tp -62.73 -40.88 98.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.524 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -56.4 -45.84 80.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.411 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 48' ' ' PHE . 82.6 mtp180 -64.41 -20.86 66.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.685 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.49 -45.52 93.9 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.886 0.374 . . . . 0.0 110.149 -179.3 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -62.29 -45.17 94.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.74 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' A' ' 45' ' ' ARG . 97.0 m-85 -130.77 135.8 48.11 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.495 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.592 -179.867 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' B' ' 21' ' ' ASP . 40.2 p30 -65.52 -28.49 69.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.608 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.532 ' N ' ' OD1' ' B' ' 20' ' ' ASN . 99.4 m-20 -62.51 -42.78 99.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.662 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 36.9 t -62.1 -43.1 99.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.454 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t 44.77 91.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.191 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -50.5 148.79 6.34 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.574 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -68.65 -17.09 42.9 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 122.477 2.118 . . . . 0.0 112.001 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.474 ' CD1' ' N ' ' B' ' 26' ' ' LEU . 9.1 mp -62.11 -43.3 99.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.591 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.5 -48.75 83.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.982 0.42 . . . . 0.0 110.782 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.9 t -65.45 -44.09 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.381 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.9 95.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.363 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.48 -50.03 68.72 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.332 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -62.38 -42.91 99.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.797 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.06 -42.37 96.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.72 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 75.2 mt -61.1 -44.47 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.832 -179.679 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.61 -52.42 39.21 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.281 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.42 HD11 HG21 ' B' ' 35' ' ' ILE . 97.1 mt -65.75 -44.6 93.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.664 0.268 . . . . 0.0 111.158 -179.595 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.93 -45.98 89.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.708 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.435 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.9 t60 -60.23 -40.39 90.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.265 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.425 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 11.1 mt -60.59 -40.02 90.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.38 -44.83 99.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.102 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . 0.424 ' CD2' ' N ' ' B' ' 40' ' ' LEU . 4.1 mm? -70.56 -43.66 69.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.231 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.42 ' CH2' ' NH1' ' B' ' 45' ' ' ARG . 73.5 t90 -68.99 -47.1 66.38 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.635 -179.292 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 15.1 tt -65.04 -40.92 90.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.28 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 49.0 tp -62.77 -40.89 98.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.428 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -56.72 -45.42 81.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.369 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' B' ' 48' ' ' PHE . 82.4 mtp180 -64.57 -20.9 66.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.69 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.47 -45.52 93.93 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.89 0.376 . . . . 0.0 110.137 -179.314 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -62.22 -45.2 94.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.839 0.352 . . . . 0.0 110.788 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.436 ' O ' ' O ' ' B' ' 45' ' ' ARG . 97.0 m-85 -130.79 135.79 48.08 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.505 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.535 -179.889 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 19.9 p . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' C' ' 21' ' ' ASP . 40.2 p30 -65.56 -28.43 69.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' C' ' 20' ' ' ASN . 99.3 m-20 -62.57 -42.71 99.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 37.1 t -62.13 -43.2 99.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 2.4 t 44.86 91.46 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.216 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -50.37 148.72 6.19 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.601 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -68.63 -17.24 42.98 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 122.394 2.063 . . . . 0.0 111.98 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.47 ' N ' ' CD1' ' C' ' 26' ' ' LEU . 9.0 mp -61.92 -43.35 99.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.624 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.56 -48.75 83.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.945 0.402 . . . . 0.0 110.732 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.42 -44.17 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.405 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.96 95.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.453 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.13 68.64 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.222 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -62.22 -42.99 99.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.803 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.85 -42.55 96.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 75.7 mt -61.12 -44.39 98.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.821 -179.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . 0.883 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -65.42 -52.6 38.45 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.353 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.81 -44.51 92.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 120.677 0.275 . . . . 0.0 111.197 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.99 -46.04 89.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.9 0.381 . . . . 0.0 110.75 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.418 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 8.0 t60 -60.12 -40.32 89.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.236 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.435 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 11.0 mt -60.59 -40.06 90.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.241 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.33 -45.0 99.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.987 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . 0.434 ' N ' ' CD2' ' C' ' 40' ' ' LEU . 4.1 mm? -70.46 -43.37 69.98 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.205 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.41 ' CH2' ' NH1' ' C' ' 45' ' ' ARG . 73.3 t90 -69.29 -47.04 65.72 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 111.709 0.262 . . . . 0.0 111.709 -179.218 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.403 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 15.1 tt -65.0 -40.85 90.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.928 0.394 . . . . 0.0 110.303 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.403 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 48.5 tp -62.79 -40.86 98.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.457 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -56.68 -45.59 81.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.357 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' C' ' 48' ' ' PHE . 82.5 mtp180 -64.52 -20.87 66.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.665 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.43 -45.61 93.57 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 120.92 0.391 . . . . 0.0 110.158 -179.337 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -62.18 -45.15 94.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.804 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' C' ' 45' ' ' ARG . 97.0 m-85 -130.94 135.8 47.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.414 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.526 -179.869 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 19.9 p . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' D' ' 21' ' ' ASP . 40.5 p30 -65.4 -28.54 69.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.599 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . 0.533 ' N ' ' OD1' ' D' ' 20' ' ' ASN . 99.4 m-20 -62.55 -42.69 99.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.565 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 37.1 t -62.16 -43.22 99.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.391 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 2.4 t 44.85 91.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.32 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -50.43 148.78 6.22 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.629 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.67 -17.13 42.81 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 122.418 2.079 . . . . 0.0 111.959 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.472 ' N ' ' CD1' ' D' ' 26' ' ' LEU . 9.1 mp -62.1 -43.26 99.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.564 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.43 -48.94 83.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.701 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.36 -44.25 94.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.35 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.92 95.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.457 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.61 -49.94 69.26 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.244 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -62.4 -42.98 99.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.722 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.09 -42.34 96.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.704 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 75.0 mt -60.97 -44.52 98.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.912 -179.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.52 -52.43 39.49 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.552 -0.832 . . . . 0.0 111.316 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.87 -44.5 92.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.656 0.265 . . . . 0.0 111.212 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.92 -46.02 89.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.809 0.338 . . . . 0.0 110.726 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.434 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 8.0 t60 -60.25 -40.46 90.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.233 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.418 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 11.3 mt -60.41 -40.0 89.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.55 -44.82 99.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.084 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . 0.427 ' N ' ' CD2' ' D' ' 40' ' ' LEU . 4.1 mm? -70.38 -43.57 69.82 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.218 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.421 ' CH2' ' NH1' ' D' ' 45' ' ' ARG . 73.5 t90 -69.24 -46.97 66.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.768 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 15.1 tt -64.99 -40.92 90.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.919 0.39 . . . . 0.0 110.302 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 49.5 tp -62.68 -40.84 98.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.561 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -56.81 -45.36 82.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.356 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' D' ' 48' ' ' PHE . 82.4 mtp180 -64.63 -20.87 66.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.663 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.39 -45.51 94.07 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.974 0.416 . . . . 0.0 110.147 -179.298 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -62.4 -45.02 95.02 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.708 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.429 ' O ' ' O ' ' D' ' 45' ' ' ARG . 97.0 m-85 -130.89 135.68 47.91 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.457 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.565 -179.92 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 0.883 'BR ' ' HA3' ' C' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -64.41 -40.84 96.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.643 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -63.33 -42.63 98.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.518 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -60.55 -43.83 96.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.556 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 97.3 p -71.42 88.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.472 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -61.48 150.87 79.43 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.623 -179.323 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -40.41 -22.9 0.12 Allowed 'Trans proline' 0 C--N 1.315 -1.199 0 C-N-CA 122.449 2.1 . . . . 0.0 112.35 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.492 ' CD2' ' N ' ' A' ' 26' ' ' LEU . 3.9 mm? -62.2 -43.08 99.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.65 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 81.6 t -63.52 -48.86 85.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.663 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.1 t -66.35 -45.08 90.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.549 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.39 85.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.631 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.66 79.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.872 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.3 p -63.09 -39.97 96.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.809 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.401 HD11 HG21 ' A' ' 32' ' ' ILE . 91.8 mt -63.94 -43.32 97.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.623 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . 0.4 HG21 HD13 ' A' ' 33' ' ' ILE . 80.8 mt -57.47 -44.27 84.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.786 -178.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.6 -46.45 47.26 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.659 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.99 -50.75 78.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 111.196 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.24 -43.07 99.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.234 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.5 t60 -60.28 -40.44 90.42 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.416 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.42 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 12.9 mt -61.25 -40.11 92.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.085 -179.318 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.07 -44.87 99.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.284 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt -72.74 -44.16 62.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.04 0.448 . . . . 0.0 110.805 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -65.43 -36.01 82.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.813 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mm -63.65 -44.67 98.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.463 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.0 mt -61.98 -41.14 97.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.575 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -58.13 -45.69 86.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.555 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 48' ' ' PHE . 72.6 ttt180 -65.56 -23.2 66.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.876 0.369 . . . . 0.0 110.516 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -63.11 -45.2 93.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.13 0.49 . . . . 0.0 110.384 -179.373 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -60.76 -44.96 96.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.711 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' A' ' 45' ' ' ARG . 96.6 m-85 -126.56 130.76 51.18 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.478 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.353 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -64.58 -40.86 96.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.619 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -63.42 -42.79 98.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.495 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 40.4 t -60.45 -43.78 96.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.54 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 92.3 p -71.37 88.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.625 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' B' ' 26' ' ' LEU . 0.8 OUTLIER -61.08 150.97 77.02 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.683 -179.302 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -40.61 -23.11 0.13 Allowed 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 122.632 2.221 . . . . 0.0 112.184 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.495 ' N ' ' CD2' ' B' ' 26' ' ' LEU . 3.9 mm? -61.93 -42.9 99.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.702 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 82.8 t -63.55 -48.73 85.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.652 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.6 t -66.69 -44.75 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.648 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.04 -44.09 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.707 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.412 ' O ' 'BR ' ' C' ' 100' ' ' 3LW . . . -56.81 -47.6 79.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.797 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 78.0 p -63.28 -40.35 97.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.435 HD11 HG21 ' B' ' 32' ' ' ILE . 89.4 mt -63.61 -43.68 98.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.413 179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 80.4 mt -57.09 -44.51 83.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.855 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.671 ' CA ' 'BR ' ' C' ' 100' ' ' 3LW . . . -70.2 -46.51 49.93 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.643 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.16 -50.22 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.841 0.353 . . . . 0.0 111.293 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.8 -42.61 97.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.206 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.41 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.3 t60 -60.72 -40.51 92.62 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.274 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 12.9 mt -61.04 -40.18 92.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.051 -179.41 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.25 -44.89 99.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.233 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.87 -44.22 61.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.032 0.444 . . . . 0.0 110.796 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -65.43 -35.56 81.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.72 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mm -63.93 -44.72 98.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.39 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.97 -41.13 97.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -58.14 -45.65 87.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.566 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' B' ' 48' ' ' PHE . 72.7 ttt180 -65.44 -23.71 67.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 0.0 110.576 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.77 -45.41 92.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.17 0.51 . . . . 0.0 110.325 -179.292 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -60.5 -45.11 94.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.669 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' B' ' 45' ' ' ARG . 96.6 m-85 -126.48 130.38 50.52 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.5 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.359 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -64.5 -41.01 96.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.626 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -63.17 -42.34 99.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.633 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 39.2 t -61.04 -43.46 98.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 99.8 p -71.61 88.47 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.504 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' C' ' 26' ' ' LEU . 0.8 OUTLIER -61.38 150.89 78.84 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.585 -179.252 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -40.34 -22.99 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.157 0 C-N-CA 122.532 2.155 . . . . 0.0 112.279 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.487 ' CD2' ' N ' ' C' ' 26' ' ' LEU . 3.9 mm? -62.11 -43.2 99.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.32 -49.09 84.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.544 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 93.1 t -66.25 -45.02 90.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.552 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.76 -44.15 85.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.709 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.83 -47.83 79.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.82 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -62.93 -40.36 97.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.772 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.59 -43.31 98.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.497 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.62 -44.35 85.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.901 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.42 -46.38 49.01 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.541 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.06 -50.36 79.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.893 0.377 . . . . 0.0 111.346 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.66 -42.65 98.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.125 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.421 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 8.0 t60 -60.67 -40.29 91.57 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.387 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.41 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 12.8 mt -61.37 -39.92 92.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.989 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.41 -45.1 99.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.312 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -72.65 -44.26 62.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.987 0.423 . . . . 0.0 110.723 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -65.27 -35.95 82.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.772 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mm -63.71 -44.63 98.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.464 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.86 -41.21 97.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.65 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -58.24 -45.64 87.41 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.535 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' C' ' 48' ' ' PHE . 73.6 ttt180 -65.57 -23.45 66.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.457 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.88 -45.01 94.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.217 0.532 . . . . 0.0 110.308 -179.365 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -60.97 -44.66 97.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.703 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.445 ' O ' ' O ' ' C' ' 45' ' ' ARG . 96.6 m-85 -127.04 130.86 50.77 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.925 0.393 . . . . 0.0 110.348 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.415 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -64.71 -40.7 95.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.542 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -63.58 -42.72 98.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.584 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 41.1 t -60.44 -43.66 96.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.589 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 93.9 p -71.58 88.7 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.442 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' D' ' 26' ' ' LEU . 0.8 OUTLIER -61.42 151.05 78.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.766 -179.354 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -40.82 -22.72 0.13 Allowed 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 122.628 2.218 . . . . 0.0 112.144 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.496 ' N ' ' CD2' ' D' ' 26' ' ' LEU . 3.9 mm? -62.01 -43.37 98.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.726 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.36 -48.84 85.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.596 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.0 t -66.34 -45.16 90.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.586 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.47 -44.65 85.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.574 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.33 -47.95 77.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.807 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 76.7 p -62.9 -40.54 97.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.56 -43.58 98.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.552 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 80.5 mt -57.26 -44.17 83.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.94 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.55 -46.52 47.22 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.694 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.93 -50.57 79.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.872 0.367 . . . . 0.0 111.215 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.49 -42.96 98.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.217 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.42 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.5 t60 -60.27 -40.56 90.81 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.228 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.421 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 13.2 mt -61.13 -40.08 92.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.144 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.15 -44.92 99.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.309 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -72.73 -44.15 62.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.186 0.517 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -65.56 -35.64 81.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.806 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mm -63.93 -44.77 98.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.316 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 73.8 mt -61.85 -41.26 97.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -58.26 -45.4 87.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.608 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' D' ' 48' ' ' PHE . 72.7 ttt180 -65.57 -23.7 66.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.912 0.387 . . . . 0.0 110.453 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -62.89 -44.96 94.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.212 0.529 . . . . 0.0 110.341 -179.302 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -60.96 -44.6 97.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.685 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.426 ' O ' ' O ' ' D' ' 45' ' ' ARG . 96.6 m-85 -126.95 130.31 49.83 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.458 179.904 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 0.671 'BR ' ' CA ' ' B' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -63.44 -40.08 96.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.664 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -62.2 -37.92 87.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.577 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.5 m -59.9 -42.64 94.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.623 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.5 m -143.24 114.11 7.66 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.935 0.398 . . . . 0.0 110.273 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -77.54 150.51 79.49 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.525 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.09 -14.52 38.38 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.902 2.402 . . . . 0.0 112.04 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.1 mt -59.17 -43.6 92.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.906 -178.749 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . 0.44 ' CG2' ' N ' ' A' ' 28' ' ' VAL . 3.2 m -65.87 -41.78 90.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.184 0.516 . . . . 0.0 110.53 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.44 ' N ' ' CG2' ' A' ' 27' ' ' VAL . 87.9 t -62.17 -44.23 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.249 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -37.39 86.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.225 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.03 -48.3 70.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.597 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 77.1 p -66.05 -40.4 90.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.984 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.11 -42.36 94.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.714 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.8 mt -59.45 -43.89 91.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.573 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.78 -48.19 79.21 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.403 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 4.8 mm -65.99 -48.41 81.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.997 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.9 tp -59.53 -45.42 91.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.057 0.456 . . . . 0.0 111.226 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.425 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 8.7 t60 -59.22 -37.53 77.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.303 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.38 -41.0 96.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.403 ' CD1' ' O ' ' A' ' 35' ' ' ILE . 1.7 mp -59.62 -45.06 94.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.201 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -72.0 -43.82 64.46 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.231 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 79.6 t90 -67.34 -39.88 85.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.032 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mm -63.34 -43.75 98.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.174 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.55 -39.71 94.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.28 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -53.42 -45.34 69.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.23 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -59.71 -31.23 69.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.469 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tt -59.46 -47.52 85.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.081 0.467 . . . . 0.0 110.226 -178.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -61.08 -45.89 92.87 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.65 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -137.28 141.68 41.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.253 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.8 mttp . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.461 179.876 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -63.33 -40.23 96.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -62.15 -38.19 88.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.511 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 60.1 m -59.67 -42.62 93.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.616 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -143.24 114.21 7.72 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.913 0.387 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 28.4 m-20 -77.63 150.69 79.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.524 -179.408 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.18 -14.64 38.29 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.837 2.358 . . . . 0.0 112.069 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.18 -43.47 92.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.824 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . 0.453 ' CG2' ' N ' ' B' ' 28' ' ' VAL . 3.2 m -65.86 -41.95 91.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.306 0.575 . . . . 0.0 110.636 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.453 ' N ' ' CG2' ' B' ' 27' ' ' VAL . 83.5 t -62.24 -44.06 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.246 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.38 86.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.359 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.9 -47.98 70.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.601 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 78.0 p -66.28 -40.83 90.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.55 -42.45 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.733 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 67.1 mt -59.42 -43.79 91.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.633 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.857 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -63.88 -48.51 75.67 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mm -65.61 -48.57 82.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.97 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.56 -45.03 93.03 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.114 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.429 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 8.2 t60 -59.44 -37.83 79.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.288 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.407 ' O ' ' CG1' ' B' ' 42' ' ' ILE . 13.6 mt -61.19 -40.77 95.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.844 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.78 -45.46 94.68 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.163 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.77 -43.89 64.95 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.074 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.425 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 79.2 t90 -67.09 -39.99 86.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.948 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' B' ' 38' ' ' LEU . 4.2 mm -63.42 -43.63 98.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.209 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.54 -39.61 94.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.238 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -53.53 -45.31 69.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.236 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -59.73 -31.03 69.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.671 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tt -59.68 -47.12 86.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.106 0.479 . . . . 0.0 110.287 -179.101 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -61.46 -45.9 92.31 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.695 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -137.16 141.44 42.2 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.333 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.0 mttp . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.432 179.813 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -63.0 -40.09 96.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.658 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -62.15 -38.05 87.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.618 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 61.6 m -59.79 -42.56 93.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.561 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 58.5 m -143.33 114.23 7.69 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.946 0.403 . . . . 0.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -77.62 150.54 79.29 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.435 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.03 -14.63 38.78 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.821 2.347 . . . . 0.0 112.039 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.2 -44.06 92.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.888 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . 0.446 ' CG2' ' N ' ' C' ' 28' ' ' VAL . 3.0 m -65.36 -42.06 92.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.116 0.484 . . . . 0.0 110.497 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . 0.446 ' N ' ' CG2' ' C' ' 27' ' ' VAL . 81.2 t -61.78 -44.8 99.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.217 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.5 85.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.341 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.97 -48.15 70.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.64 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 77.8 p -65.99 -40.61 91.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.927 0.394 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.8 -42.38 94.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.731 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.4 -43.86 91.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.528 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.69 -48.49 76.74 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 4.6 mm -65.71 -48.59 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.928 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -59.4 -45.16 92.25 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.158 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.429 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 8.7 t60 -59.42 -37.75 78.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.337 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.406 ' O ' ' CG1' ' C' ' 42' ' ' ILE . 13.6 mt -61.34 -40.87 95.85 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.8 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.58 -45.32 94.18 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.143 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.94 -43.88 64.53 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.07 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 79.5 t90 -67.12 -39.97 86.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.082 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' C' ' 38' ' ' LEU . 4.3 mm -63.4 -43.69 98.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.187 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.55 -39.82 94.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.296 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -53.25 -45.48 68.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.281 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -59.59 -31.42 69.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.526 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tt -59.32 -47.35 85.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.065 0.46 . . . . 0.0 110.232 -179.014 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -61.18 -45.89 92.73 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.735 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -137.22 141.54 42.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.286 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 60.1 mttp . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.46 179.901 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 13.9 t . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -62.91 -39.96 96.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.476 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -62.4 -38.24 88.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 60.0 m -59.72 -42.15 92.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.688 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 58.3 m -143.61 114.09 7.5 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.346 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -77.76 150.42 78.69 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.475 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -68.8 -14.75 39.65 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.866 2.378 . . . . 0.0 112.103 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.13 -43.75 91.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.824 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . 0.465 ' CG2' ' N ' ' D' ' 28' ' ' VAL . 3.1 m -65.44 -42.42 93.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.129 0.49 . . . . 0.0 110.51 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . 0.465 ' N ' ' CG2' ' D' ' 27' ' ' VAL . 84.5 t -61.79 -44.79 99.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.244 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.84 -37.69 85.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.391 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.81 -48.54 69.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 74.1 p -65.54 -40.99 93.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.033 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.61 -42.27 94.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.678 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.54 -43.82 91.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.622 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.05 -47.82 81.7 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.29 -48.4 81.2 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.002 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.79 -44.8 93.77 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.131 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.423 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 8.4 t60 -59.39 -37.91 79.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.275 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.405 ' O ' ' CG1' ' D' ' 42' ' ' ILE . 13.6 mt -61.28 -40.65 94.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.818 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.73 -45.32 94.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.16 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 85.9 mt -72.17 -43.8 64.02 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.075 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 79.2 t90 -67.19 -40.12 86.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.979 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.405 ' CG1' ' O ' ' D' ' 38' ' ' LEU . 4.2 mm -63.28 -43.58 98.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.218 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.5 -39.86 94.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.234 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -53.19 -45.77 68.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.166 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' D' ' 48' ' ' PHE . 82.3 mtp180 -59.31 -31.34 69.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.649 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tt -59.35 -47.52 85.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.156 0.503 . . . . 0.0 110.31 -179.043 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -61.21 -45.55 94.09 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.553 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' D' ' 45' ' ' ARG . 98.5 m-85 -137.44 142.03 41.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.232 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mttp . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.492 179.912 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 0.857 'BR ' ' HA3' ' B' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.426 ' H2 ' ' H ' ' A' ' 20' ' ' ASN . 28.9 t . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.426 ' H ' ' H2 ' ' A' ' 19' ' ' SER . 98.3 m-20 -83.55 116.22 22.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.586 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -72.32 -11.2 60.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.537 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.421 ' O ' ' OG ' ' A' ' 23' ' ' SER . 66.2 m -60.17 -38.24 82.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.456 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' A' ' 22' ' ' SER . 2.9 p 74.6 132.94 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.181 -179.662 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 1.1 p-10 -75.8 150.26 83.78 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.741 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.04 -16.39 36.36 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.478 2.118 . . . . 0.0 112.017 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.5 mt -61.57 -45.82 92.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.92 -179.022 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 p -71.12 -35.37 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.933 0.397 . . . . 0.0 110.621 179.295 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.59 -45.57 97.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.431 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.86 89.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.462 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.85 -50.29 66.57 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.662 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 62.7 m -61.72 -42.58 99.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.705 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.404 HD12 HG23 ' A' ' 32' ' ' ILE . 96.9 mt -64.01 -42.7 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.766 -179.763 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.85 -44.51 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.842 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.87 -51.5 39.83 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.9 -43.48 96.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.7 0.286 . . . . 0.0 111.048 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.46 -45.86 92.51 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 110.613 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.423 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 8.2 t60 -61.1 -40.18 92.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.32 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.44 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 9.6 mt -60.98 -39.08 88.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.8 mt -60.79 -46.8 95.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 120.061 -0.655 . . . . 0.0 110.056 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 mt -70.15 -44.7 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.333 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 82.2 t90 -66.41 -36.67 83.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.116 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.7 -44.29 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.11 -40.19 92.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.489 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -56.62 -44.05 80.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.863 0.364 . . . . 0.0 110.331 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 48' ' ' PHE . 60.2 ttt85 -60.89 -40.67 93.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -60.41 -45.68 92.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.97 0.414 . . . . 0.0 110.21 -179.044 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -61.8 -44.86 96.03 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.467 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' A' ' 45' ' ' ARG . 98.4 m-85 -136.96 140.04 41.93 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.388 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.532 179.835 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.432 ' H2 ' ' H ' ' B' ' 20' ' ' ASN . 29.0 t . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.432 ' H ' ' H2 ' ' B' ' 19' ' ' SER . 98.3 m-20 -83.43 116.3 22.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.581 -179.913 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -72.47 -11.31 60.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.57 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.429 ' O ' ' OG ' ' B' ' 23' ' ' SER . 66.2 m -59.99 -38.37 82.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.511 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.429 ' OG ' ' O ' ' B' ' 22' ' ' SER . 3.0 p 74.81 133.19 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.141 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 1.1 p-10 -75.92 150.21 83.46 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.668 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.01 -16.45 36.5 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.438 2.092 . . . . 0.0 111.946 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.57 -45.76 92.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.789 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 p -71.02 -35.71 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.932 0.396 . . . . 0.0 110.737 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.44 -45.43 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.448 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.78 88.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.01 -50.11 67.36 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.559 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 66.4 m -61.81 -42.57 99.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 110.649 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.88 -42.83 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.772 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.67 -44.75 99.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.801 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.69 -51.41 41.55 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.96 -43.58 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.723 0.297 . . . . 0.0 110.917 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.43 -45.86 92.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.918 0.39 . . . . 0.0 110.659 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.43 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.9 t60 -61.16 -40.27 93.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.282 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.421 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 10.0 mt -60.89 -38.97 87.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.97 -46.83 95.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.106 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.5 mt -70.29 -44.62 67.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.315 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 81.9 t90 -66.33 -36.81 83.86 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.018 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.62 -44.19 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.28 -40.22 93.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.376 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -56.69 -43.81 80.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 110.31 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' B' ' 48' ' ' PHE . 60.1 ttt85 -61.0 -40.61 94.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.799 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -60.66 -45.5 93.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 110.185 -178.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -61.79 -44.87 96.01 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.472 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' B' ' 45' ' ' ARG . 98.5 m-85 -136.89 140.12 42.11 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.495 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.872 -1.061 . . . . 0.0 110.536 179.824 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 19' ' ' SER . . . . . 0.427 ' H2 ' ' H ' ' C' ' 20' ' ' ASN . 29.8 t . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . 0.427 ' H ' ' H2 ' ' C' ' 19' ' ' SER . 98.3 m-20 -83.5 116.17 22.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.538 -179.911 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -72.41 -11.29 60.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.621 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 22' ' ' SER . . . . . 0.421 ' O ' ' OG ' ' C' ' 23' ' ' SER . 66.1 m -59.91 -38.45 82.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.523 179.848 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 23' ' ' SER . . . . . 0.421 ' OG ' ' O ' ' C' ' 22' ' ' SER . 2.9 p 74.88 132.95 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.147 -179.7 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' C' ' 24' ' ' ASP . 1.2 p-10 -75.77 150.09 83.72 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.785 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.83 -16.45 37.25 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.552 2.168 . . . . 0.0 111.965 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 53.6 mt -61.66 -45.77 92.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 p -71.1 -35.4 58.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.989 0.423 . . . . 0.0 110.589 179.33 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.64 -45.55 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.391 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.76 88.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.488 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . 0.507 ' HB1' ' H5A' ' C' ' 100' ' ' 3LW . . . -54.0 -50.15 67.24 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.717 -179.659 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 66.2 m -61.79 -42.61 99.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.625 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.41 HD12 HG23 ' C' ' 32' ' ' ILE . 96.9 mt -64.04 -42.65 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.754 -179.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.81 -44.64 99.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.808 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.72 -51.41 41.37 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.323 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.96 -43.55 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.727 0.299 . . . . 0.0 110.934 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.49 -45.71 93.1 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.935 0.397 . . . . 0.0 110.68 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.428 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 8.2 t60 -61.29 -40.12 92.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.237 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.43 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 10.0 mt -60.95 -39.11 88.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.0 mt -60.77 -46.82 95.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.102 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.8 mt -70.23 -44.52 68.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.288 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.427 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 82.5 t90 -66.47 -36.77 83.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.167 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.62 -44.19 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 78.2 mt -61.1 -40.42 93.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.468 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -56.68 -43.8 80.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 110.24 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' C' ' 48' ' ' PHE . 60.2 ttt85 -60.99 -40.78 94.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.742 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -60.54 -45.49 93.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.838 0.351 . . . . 0.0 110.269 -178.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -61.8 -44.83 96.09 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.514 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' C' ' 45' ' ' ARG . 98.5 m-85 -136.91 140.17 42.1 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.525 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.563 179.794 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -83.44 116.3 22.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.534 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -72.46 -11.18 60.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.613 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 22' ' ' SER . . . . . 0.422 ' O ' ' OG ' ' D' ' 23' ' ' SER . 67.0 m -60.11 -38.36 82.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.472 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 23' ' ' SER . . . . . 0.422 ' OG ' ' O ' ' D' ' 22' ' ' SER . 2.9 p 74.77 133.09 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.215 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . 0.457 ' OD1' ' N ' ' D' ' 24' ' ' ASP . 1.2 p-10 -75.96 150.02 83.2 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.653 -179.416 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.81 -16.56 37.39 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.555 2.17 . . . . 0.0 111.926 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 53.5 mt -61.57 -45.77 92.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.923 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 p -71.12 -35.63 59.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.909 0.385 . . . . 0.0 110.656 179.288 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.27 -45.57 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.361 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.78 88.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.514 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.94 -50.14 67.12 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.642 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 62.5 m -61.77 -42.59 99.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.844 0.354 . . . . 0.0 110.729 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.02 -42.67 96.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.669 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.73 -44.74 99.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.821 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.76 -51.4 41.2 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.93 -43.57 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.665 0.269 . . . . 0.0 111.001 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.38 -45.85 92.65 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.909 0.385 . . . . 0.0 110.65 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.44 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 8.0 t60 -61.24 -40.24 93.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.31 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.428 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 9.9 mt -60.82 -39.04 87.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.791 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.76 -46.89 95.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.154 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.6 mt -70.19 -44.81 67.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.33 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 82.3 t90 -66.19 -36.75 83.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.058 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.59 -44.33 98.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.17 -40.27 93.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -56.67 -43.96 80.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.333 . . . . 0.0 110.251 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' D' ' 48' ' ' PHE . 60.4 ttt85 -60.96 -40.63 94.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -60.52 -45.58 93.31 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.209 -179.063 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -61.7 -44.89 96.06 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.504 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.43 ' O ' ' O ' ' D' ' 45' ' ' ARG . 98.4 m-85 -136.9 140.14 42.1 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.486 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.911 -1.043 . . . . 0.0 110.662 179.691 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 0.507 ' H5A' ' HB1' ' C' ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.436 ' O ' ' OD1' ' A' ' 21' ' ' ASP . 75.8 m-20 -63.82 -43.95 94.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.763 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 96.6 m-20 -138.13 1.58 2.25 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.679 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.496 ' C ' ' H ' ' A' ' 24' ' ' ASP . 96.9 p -61.42 -34.1 74.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.677 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.0 m -76.1 33.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.443 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.496 ' H ' ' C ' ' A' ' 22' ' ' SER . 26.2 m-20 -48.72 150.07 2.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.793 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -67.87 -21.55 43.92 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.645 2.23 . . . . 0.0 111.992 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.462 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 9.4 mp -62.59 -42.39 99.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.426 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.7 t -62.82 -46.91 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.937 0.399 . . . . 0.0 110.544 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.21 -44.26 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.421 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -40.81 93.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.542 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.14 -49.14 72.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.726 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.8 m -61.82 -42.39 98.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.788 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.28 -42.24 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.727 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 79.5 mt -60.06 -42.61 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 -179.654 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.816 ' CA ' 'BR ' ' C' ' 100' ' ' 3LW . . . -60.52 -53.8 42.48 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.232 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.2 mm -67.68 -44.84 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.745 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.76 -45.31 94.43 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.933 0.397 . . . . 0.0 110.929 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.6 t60 -64.76 -40.81 95.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.469 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.64 -41.52 97.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 -179.537 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.405 HD11 HG23 ' A' ' 39' ' ' ILE . 79.1 mt -58.81 -48.18 86.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.491 -179.594 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.2 mt -70.99 -42.78 69.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.94 0.4 . . . . 0.0 111.104 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -66.89 -35.43 80.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.021 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.11 -43.95 99.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.853 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.79 -43.09 99.53 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.157 0.504 . . . . 0.0 110.278 -178.399 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 62.8 t0 -62.28 -39.58 93.42 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.632 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 64.0 ttt-85 -67.74 -17.02 64.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.515 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 tp -61.29 -42.1 98.08 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.38 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -95.16 39.86 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.97 0.414 . . . . 0.0 110.613 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -46.3 157.24 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.37 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.463 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 26.2 p . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' B' ' 21' ' ' ASP . 75.9 m-20 -63.84 -43.58 95.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.7 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' B' ' 20' ' ' ASN . 95.7 m-20 -138.2 1.5 2.23 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.619 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.49 ' C ' ' H ' ' B' ' 24' ' ' ASP . 99.4 p -61.08 -34.49 75.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.691 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 68.6 m -76.08 34.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.433 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.49 ' H ' ' C ' ' B' ' 22' ' ' SER . 25.8 m-20 -49.48 150.05 3.66 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.739 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.71 -21.76 44.65 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 122.727 2.284 . . . . 0.0 111.979 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.468 ' CD1' ' N ' ' B' ' 26' ' ' LEU . 9.3 mp -62.55 -42.46 99.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.498 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 82.8 t -62.76 -46.76 95.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.023 0.439 . . . . 0.0 110.555 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 87.4 t -64.27 -44.4 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.452 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.04 93.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.491 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.77 -49.31 71.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.671 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.0 m -61.7 -42.52 99.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.29 -42.27 95.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.657 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 80.8 mt -60.05 -42.84 91.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.628 -179.75 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.29 -53.22 47.43 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.175 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 35.9 mm -68.06 -44.8 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.817 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.94 -45.18 94.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.408 ' ND1' HD22 ' C' ' 38' ' ' LEU . 7.5 t60 -64.66 -40.77 96.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.437 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 13.9 mt -61.87 -41.42 97.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.169 -179.439 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.0 -48.03 87.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.498 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -71.11 -43.06 68.43 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.968 0.413 . . . . 0.0 111.055 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -66.79 -35.46 80.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.84 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.0 -43.97 99.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.868 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.72 -42.96 99.64 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.335 -178.476 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' B' ' 44' ' ' ASP . 63.9 t0 -62.58 -39.29 93.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.67 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 63.5 ttt-85 -67.75 -16.91 64.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.098 0.475 . . . . 0.0 110.659 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 11.0 tp -61.4 -41.96 97.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.515 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -95.37 39.67 1.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.531 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -45.93 157.33 0.12 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.398 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.443 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 33.1 p . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . 0.424 ' O ' ' OD1' ' C' ' 21' ' ' ASP . 75.7 m-20 -63.81 -43.54 95.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.692 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' C' ' 20' ' ' ASN . 96.4 m-20 -138.19 1.66 2.24 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.647 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 22' ' ' SER . . . . . 0.496 ' C ' ' H ' ' C' ' 24' ' ' ASP . 94.4 p -61.46 -33.99 74.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.626 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 66.4 m -76.51 34.6 0.14 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.415 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . 0.496 ' H ' ' C ' ' C' ' 22' ' ' SER . 27.1 m-20 -49.47 150.27 3.49 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.81 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.7 -21.91 44.47 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.718 2.279 . . . . 0.0 112.025 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.459 ' N ' ' CD1' ' C' ' 26' ' ' LEU . 9.3 mp -62.44 -42.59 99.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.75 -46.87 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.49 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 88.2 t -64.12 -44.23 97.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.424 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.68 94.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.506 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.35 -48.97 73.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.659 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 56.5 m -61.9 -42.48 99.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.763 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.17 -42.16 95.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.644 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 80.7 mt -60.25 -42.8 91.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.558 -179.665 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.4 -53.57 44.44 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.104 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 36.1 mm -67.76 -45.3 84.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.3 -45.21 95.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.41 ' ND1' HD22 ' D' ' 38' ' ' LEU . 7.5 t60 -64.78 -40.67 95.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.441 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.408 HD22 ' ND1' ' B' ' 37' ' ' HIS . 13.9 mt -61.83 -41.37 97.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.226 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . 0.412 HD11 HG23 ' C' ' 39' ' ' ILE . 80.9 mt -59.06 -47.52 89.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.407 -179.504 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.65 -43.15 66.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.984 0.421 . . . . 0.0 111.13 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -66.54 -35.49 80.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.824 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.0 -44.22 99.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.861 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.46 -43.52 98.73 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.296 -0.561 . . . . 0.0 110.288 -178.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' C' ' 44' ' ' ASP . 63.7 t0 -61.8 -39.29 91.2 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.634 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 63.9 ttt-85 -67.95 -16.71 64.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.586 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 tp -61.57 -42.09 98.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.379 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -95.15 39.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.514 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -46.25 157.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.338 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.942 -1.027 . . . . 0.0 110.392 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 32.7 p . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . 0.431 ' O ' ' OD1' ' D' ' 21' ' ' ASP . 76.3 m-20 -64.05 -43.63 94.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.66 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' D' ' 20' ' ' ASN . 97.0 m-20 -138.51 2.08 2.21 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.549 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 22' ' ' SER . . . . . 0.496 ' C ' ' H ' ' D' ' 24' ' ' ASP . 95.8 p -61.56 -34.48 75.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.598 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 67.9 m -75.95 33.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.466 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . 0.496 ' H ' ' C ' ' D' ' 22' ' ' SER . 25.8 m-20 -48.83 150.23 2.73 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.702 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.01 -21.54 43.11 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.677 2.251 . . . . 0.0 112.043 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.468 ' N ' ' CD1' ' D' ' 26' ' ' LEU . 9.3 mp -62.61 -42.26 99.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.539 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 90.6 t -62.96 -47.08 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.526 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 90.5 t -63.88 -44.43 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.459 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.97 93.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.588 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.08 -49.04 72.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.667 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 58.5 m -61.73 -42.48 99.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.797 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.22 -42.09 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.719 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 80.3 mt -60.24 -42.81 91.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.59 -179.628 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.54 -53.5 44.92 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 35.8 mm -67.81 -45.05 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.756 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.8 -45.13 95.18 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.923 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' D' ' 37' ' ' HIS . 7.4 t60 -64.68 -40.81 96.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.315 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.41 HD22 ' ND1' ' C' ' 37' ' ' HIS . 13.8 mt -61.66 -41.6 97.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.275 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 80.7 mt -58.96 -47.76 88.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.389 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.22 -42.85 68.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.973 0.416 . . . . 0.0 111.055 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -67.1 -35.24 79.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.031 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.12 -43.95 99.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.958 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -61.73 -43.02 99.67 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.222 0.534 . . . . 0.0 110.294 -178.377 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 63.0 t0 -62.43 -39.25 92.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.613 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -68.01 -16.9 64.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.505 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 tp -61.48 -41.9 97.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.405 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -95.35 39.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.994 0.426 . . . . 0.0 110.581 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -46.21 157.51 0.12 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.368 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.218 -0.559 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.493 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 0.816 'BR ' ' CA ' ' A' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -63.49 -39.87 95.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.544 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -62.04 -40.97 97.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.705 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -60.76 -44.29 96.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.595 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.1 p -149.49 121.26 8.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.112 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.66 151.59 65.08 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.329 -179.675 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -68.41 -15.76 42.42 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.677 2.251 . . . . 0.0 112.202 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.18 -41.36 92.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.688 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 m -62.42 -37.76 79.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.996 0.427 . . . . 0.0 110.504 -179.618 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.72 -43.86 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.019 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.19 78.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.288 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.28 78.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.8 m -61.66 -39.95 93.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.921 0.391 . . . . 0.0 110.72 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.412 HD11 HG22 ' A' ' 32' ' ' ILE . 94.8 mt -63.07 -41.74 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.674 -179.899 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 86.6 mt -60.44 -43.16 93.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.605 -179.518 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -51.58 58.06 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.027 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.2 mm -68.3 -44.74 83.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 O-C-N 122.734 -0.274 . . . . 0.0 111.184 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.16 -47.26 85.3 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.895 0.379 . . . . 0.0 110.603 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.403 ' CD2' ' C ' ' A' ' 37' ' ' HIS . 8.4 t60 -60.79 -40.61 93.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.098 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.417 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 13.2 mt -61.1 -40.25 93.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.355 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.3 -48.68 87.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.356 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 11.3 mp -67.07 -43.64 82.13 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.25 179.585 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -67.84 -37.15 81.52 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.574 0.226 . . . . 0.0 111.223 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.31 -45.39 98.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.57 -37.76 88.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.431 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 48' ' ' PHE . 30.1 t70 -53.58 -48.74 68.91 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.298 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -65.56 -36.44 83.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.885 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.23 -43.46 98.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.653 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -90.08 -65.71 0.99 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.714 0.292 . . . . 0.0 111.3 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.429 ' O ' ' O ' ' A' ' 44' ' ' ASP . 54.2 m-85 -95.86 145.59 25.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.4 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.47 -179.881 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.4 m . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -63.36 -39.94 95.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -62.16 -40.59 96.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -61.02 -44.22 97.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.6 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 88.6 p -149.4 121.26 8.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.205 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.69 151.6 64.99 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.402 -179.767 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -68.36 -15.66 42.46 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.713 2.275 . . . . 0.0 112.28 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.44 -41.11 93.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.75 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 m -62.25 -37.97 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.092 0.473 . . . . 0.0 110.373 -179.683 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.75 -43.93 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.056 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.21 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.39 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.34 -48.67 76.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.42 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 29.5 m -61.72 -40.04 93.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.403 HG22 HD11 ' B' ' 32' ' ' ILE . 94.8 mt -63.01 -41.71 93.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.558 -179.916 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 86.7 mt -60.45 -43.19 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.561 -179.45 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -51.57 58.12 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.012 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mm -68.34 -44.7 83.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.17 -47.32 85.03 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.985 0.421 . . . . 0.0 110.592 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.408 ' CD2' ' C ' ' B' ' 37' ' ' HIS . 8.6 t60 -60.75 -40.5 92.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.229 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.13 -40.3 93.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.397 -179.131 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.26 -48.69 87.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.323 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 11.3 mp -66.94 -43.66 82.62 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.286 179.491 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -67.95 -36.97 81.0 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.382 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.33 -45.35 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.56 -37.84 88.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.356 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' B' ' 48' ' ' PHE . 30.2 t70 -53.75 -48.71 69.44 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.274 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -65.52 -36.42 83.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.897 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.26 -43.45 98.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.693 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -90.11 -65.79 0.98 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.753 0.311 . . . . 0.0 111.184 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' B' ' 44' ' ' ASP . 54.2 m-85 -95.83 145.66 25.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.348 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.498 -179.891 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 47.0 m . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -63.53 -39.88 95.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.505 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -62.13 -40.88 97.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.752 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -60.73 -44.29 96.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.624 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 88.6 p -149.49 121.27 8.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.129 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.69 151.66 65.08 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.312 -179.785 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -68.35 -15.81 42.7 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.737 2.291 . . . . 0.0 112.239 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.29 -41.23 92.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.712 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m -62.06 -38.2 80.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.021 0.439 . . . . 0.0 110.334 -179.634 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.52 -43.95 95.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.999 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.24 -36.97 78.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.32 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.58 77.15 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.328 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 36.1 m -61.47 -40.14 93.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.1 -41.78 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.624 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 88.2 mt -60.41 -43.2 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.668 -179.501 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.08 -51.53 58.33 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.008 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 41.1 mm -68.4 -44.62 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.146 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.23 -47.25 85.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.906 0.384 . . . . 0.0 110.639 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' C' ' 37' ' ' HIS . 8.6 t60 -60.73 -40.59 92.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.318 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 13.5 mt -61.14 -40.15 92.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.355 -179.074 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.31 -48.74 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.396 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 11.3 mp -67.0 -43.53 82.66 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.21 179.612 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -67.94 -37.18 81.3 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.635 0.255 . . . . 0.0 111.311 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.15 -45.49 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.61 -37.7 88.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.357 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' C' ' 48' ' ' PHE . 30.4 t70 -53.77 -48.69 69.5 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.26 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -65.51 -36.55 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.848 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.19 -43.53 98.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.691 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -89.98 -65.79 0.98 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.733 0.302 . . . . 0.0 111.254 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' C' ' 44' ' ' ASP . 54.5 m-85 -95.76 145.55 25.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.399 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.574 -179.883 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 46.9 m . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -63.48 -39.97 95.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.547 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -62.21 -40.64 96.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.756 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.05 -44.17 97.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.578 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 88.2 p -149.51 121.33 8.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.098 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.8 OUTLIER -82.76 151.65 64.84 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.347 -179.698 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -68.37 -15.64 42.39 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.67 2.247 . . . . 0.0 112.273 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.45 -41.1 93.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.676 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m -62.18 -38.04 79.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.024 0.44 . . . . 0.0 110.345 -179.773 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.77 -43.92 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.178 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -37.22 79.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.125 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.46 -48.71 76.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 34.1 m -61.54 -39.98 93.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.684 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.04 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.713 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 87.9 mt -60.66 -43.01 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.503 -179.418 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.02 -51.69 57.35 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 41.7 mm -68.3 -44.67 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 O-C-N 122.755 -0.262 . . . . 0.0 111.135 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.23 -47.24 85.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 110.568 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.417 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 9.0 t60 -60.83 -40.5 93.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.259 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 13.4 mt -61.15 -40.33 93.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.316 -179.046 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.26 -48.74 87.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.35 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 11.3 mp -67.01 -43.57 82.52 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.671 -0.411 . . . . 0.0 111.26 179.58 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -67.93 -37.09 81.21 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.258 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.32 -45.46 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.44 -37.84 88.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.45 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' D' ' 48' ' ' PHE . 30.1 t70 -53.64 -48.67 69.16 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.337 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -65.59 -36.45 83.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.863 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.11 -43.63 98.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.749 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -90.02 -65.73 0.99 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.712 0.292 . . . . 0.0 111.248 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' D' ' 44' ' ' ASP . 54.2 m-85 -95.79 145.63 25.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.398 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.48 -179.932 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.454 ' O ' ' OG ' ' A' ' 23' ' ' SER . 99.1 m-20 -63.19 -41.65 99.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.633 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -63.69 -40.63 97.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.855 0.359 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.5 p -78.84 -6.38 55.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.675 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.454 ' OG ' ' O ' ' A' ' 20' ' ' ASN . 60.7 p -61.48 -38.09 86.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.647 -179.894 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -67.75 147.5 98.6 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.719 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.75 -17.71 37.48 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.58 2.186 . . . . 0.0 111.958 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.08 -43.86 97.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.883 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.2 t -65.52 -49.6 77.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.068 0.461 . . . . 0.0 110.72 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.51 -45.51 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.554 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.35 -39.13 82.22 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.523 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.502 ' O ' 'BR ' ' C' ' 100' ' ' 3LW . . . -56.13 -51.05 69.34 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.469 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -62.94 -37.88 88.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.97 -43.0 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.474 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 81.1 mt -59.7 -44.76 94.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.468 -179.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.956 ' CA ' 'BR ' ' C' ' 100' ' ' 3LW . . . -64.37 -43.63 96.55 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.325 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.3 mt -69.48 -52.46 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.85 -42.72 97.51 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.116 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 7.8 t60 -59.94 -41.39 91.74 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.72 -39.44 91.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.28 -179.563 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.95 -48.85 86.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.423 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.51 -43.43 69.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.862 0.363 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.533 ' CH2' ' NH1' ' A' ' 45' ' ' ARG . 79.5 t90 -65.84 -36.98 84.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -62.24 -44.32 98.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.12 -39.86 91.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.568 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -57.21 -44.3 83.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.425 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.533 ' NH1' ' CH2' ' A' ' 41' ' ' TRP . 47.7 mmm-85 -60.93 -31.24 70.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.79 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tt -60.16 -44.96 94.6 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -178.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -61.44 -45.94 92.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.673 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 45' ' ' ARG . 97.0 m-85 -137.14 141.91 42.24 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.356 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.222 -0.377 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.408 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.449 ' O ' ' OG ' ' B' ' 23' ' ' SER . 99.1 m-20 -63.21 -41.56 99.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.699 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.82 -40.42 96.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.801 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 83.4 p -78.98 -6.28 55.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.663 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.449 ' OG ' ' O ' ' B' ' 20' ' ' ASN . 60.7 p -61.47 -38.03 85.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.624 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -67.89 147.59 98.5 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.653 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.03 -17.47 36.33 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.38 2.054 . . . . 0.0 112.016 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt -63.0 -43.93 97.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.927 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t -65.68 -49.53 77.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 120.981 0.419 . . . . 0.0 110.642 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.36 -45.56 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.555 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.45 82.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.472 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.88 -51.15 68.57 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.406 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 20.9 m -62.99 -37.77 88.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.02 -43.19 98.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.409 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 81.7 mt -59.48 -44.77 93.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.679 -179.341 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.54 -43.39 96.64 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.449 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.409 HD11 HG22 ' B' ' 35' ' ' ILE . 95.2 mt -69.49 -52.36 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.392 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.98 -42.73 97.15 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.15 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -59.81 -41.29 90.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.084 179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.89 -39.51 92.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.246 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.82 -48.97 85.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.374 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.3 mt -70.5 -43.49 69.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.529 ' CH2' ' NH1' ' B' ' 45' ' ' ARG . 79.5 t90 -65.82 -36.83 84.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mm -62.24 -44.49 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 75.3 mt -61.09 -39.87 91.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.483 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -57.16 -44.12 83.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.848 0.356 . . . . 0.0 110.517 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.529 ' NH1' ' CH2' ' B' ' 41' ' ' TRP . 47.9 mmm-85 -61.11 -31.31 71.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.634 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.2 tt -60.13 -44.98 94.51 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.002 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -61.42 -45.97 92.06 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.665 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' B' ' 45' ' ' ARG . 97.0 m-85 -137.25 141.52 42.01 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.383 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.438 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . 0.445 ' O ' ' OG ' ' C' ' 23' ' ' SER . 98.2 m-20 -63.4 -41.63 98.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.488 -179.87 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -63.99 -40.42 96.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.82 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 83.4 p -78.79 -6.33 55.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.699 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 23' ' ' SER . . . . . 0.445 ' OG ' ' O ' ' C' ' 20' ' ' ASN . 60.8 p -61.58 -38.02 86.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.697 -179.889 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -67.91 147.63 98.49 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.736 -179.205 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.94 -17.58 36.68 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.485 2.123 . . . . 0.0 112.02 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.06 -43.94 97.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.836 -179.028 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.48 -49.6 77.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.073 0.463 . . . . 0.0 110.71 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.38 -45.5 92.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.544 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.43 83.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.471 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.83 -51.37 67.71 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.287 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -62.91 -37.75 88.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.612 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.05 -43.08 98.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.42 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 81.3 mt -59.69 -44.69 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.531 -179.263 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.4 -43.58 96.57 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 120.474 -0.869 . . . . 0.0 111.375 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 94.7 mt -69.46 -52.32 33.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.02 -42.77 97.02 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.018 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.408 ' CD2' ' C ' ' C' ' 37' ' ' HIS . 7.8 t60 -59.74 -41.38 90.83 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.097 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 14.7 mt -61.84 -39.45 91.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.9 -48.86 86.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.431 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.47 -43.52 69.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.988 0.423 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.526 ' CH2' ' NH1' ' C' ' 45' ' ' ARG . 79.4 t90 -65.95 -36.74 84.18 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mm -62.31 -44.41 99.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 75.3 mt -61.07 -39.89 91.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.498 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -57.18 -44.16 83.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.402 . . . . 0.0 110.453 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.526 ' NH1' ' CH2' ' C' ' 41' ' ' TRP . 47.9 mmm-85 -61.05 -31.29 70.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.723 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tt -60.17 -44.87 94.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 110.016 -178.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -61.54 -45.82 92.57 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.706 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' C' ' 45' ' ' ARG . 97.0 m-85 -137.24 141.7 42.03 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.42 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.45 179.89 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . 0.448 ' O ' ' OG ' ' D' ' 23' ' ' SER . 99.1 m-20 -63.3 -41.52 98.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.723 179.807 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -63.84 -40.5 96.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.821 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 83.4 p -78.95 -6.37 56.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.651 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 23' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' D' ' 20' ' ' ASN . 60.6 p -61.58 -37.9 85.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.663 -179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -67.95 147.7 98.45 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.666 -179.143 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.01 -17.53 36.4 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.463 2.109 . . . . 0.0 112.028 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.99 -43.96 97.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.844 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.62 -49.55 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.975 0.417 . . . . 0.0 110.694 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 96.5 t -65.32 -45.68 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.492 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.04 -39.35 81.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.516 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.0 -51.24 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.356 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 21.0 m -62.96 -37.91 89.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.565 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.93 -43.07 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.45 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 80.4 mt -59.55 -44.74 93.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.71 -179.389 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.57 -43.55 96.36 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 120.479 -0.867 . . . . 0.0 111.273 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . 0.401 HG22 HD11 ' D' ' 35' ' ' ILE . 94.6 mt -69.46 -52.34 33.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.2 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.03 -42.61 97.05 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.056 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.412 ' CD2' ' C ' ' D' ' 37' ' ' HIS . 7.9 t60 -60.01 -41.28 91.8 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.982 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.79 -39.54 92.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -179.571 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.84 -49.01 85.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.37 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.48 -43.46 69.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.529 ' CH2' ' NH1' ' D' ' 45' ' ' ARG . 79.4 t90 -65.81 -36.9 84.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mm -62.2 -44.4 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.09 -39.94 91.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.484 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -57.16 -44.22 83.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 110.414 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.529 ' NH1' ' CH2' ' D' ' 41' ' ' TRP . 47.5 mmm-85 -60.89 -31.47 70.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.722 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 2.3 tt -60.08 -44.91 94.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.001 -178.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -61.43 -46.09 91.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.581 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' D' ' 45' ' ' ARG . 97.0 m-85 -137.08 141.85 42.37 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.392 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.486 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 0.956 'BR ' ' CA ' ' A' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.448 ' O ' ' OG ' ' A' ' 22' ' ' SER . 19.6 m . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.41 -41.03 98.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.624 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 -68.19 -22.61 64.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.681 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.448 ' OG ' ' O ' ' A' ' 19' ' ' SER . 80.2 p -82.15 -2.98 53.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -59.47 -43.49 93.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.473 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 3.4 m-20 -102.15 104.62 37.8 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.606 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.6 -16.87 18.69 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 122.488 2.125 . . . . 0.0 112.058 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.08 -44.29 96.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.745 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.93 -45.99 93.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.357 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.4 t -63.53 -44.94 98.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.499 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.97 89.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.494 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.468 ' HB3' ' H5A' ' C' ' 100' ' ' 3LW . . . -55.39 -48.6 74.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.67 -179.902 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.5 p -64.72 -40.15 94.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.774 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.93 -42.86 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.2 mt -61.04 -44.35 98.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.735 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.65 -51.82 33.69 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.408 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.42 -44.59 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.729 0.299 . . . . 0.0 110.881 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.5 -44.67 95.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.963 0.411 . . . . 0.0 110.963 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.412 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.7 t60 -62.14 -40.06 94.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.406 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.438 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 13.5 mt -61.64 -38.87 89.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.17 -44.31 98.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.388 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.38 -41.37 61.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.108 0.48 . . . . 0.0 111.189 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -70.27 -46.21 64.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.896 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 10.8 tp -61.47 -38.58 80.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.306 -179.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.08 -39.88 93.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.227 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.471 ' CG ' ' NH1' ' B' ' 45' ' ' ARG . 43.9 t0 -61.91 -39.23 91.3 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.533 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.459 ' NH1' ' CG ' ' D' ' 44' ' ' ASP . 18.6 mmm180 -79.95 -16.83 54.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.972 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.9 tp -61.83 -44.5 96.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.444 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -86.87 -37.8 17.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.755 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 45' ' ' ARG . 40.4 m-85 -99.75 133.12 44.56 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.54 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.649 -179.897 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.444 ' O ' ' OG ' ' B' ' 22' ' ' SER . 19.9 m . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.78 -40.85 97.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.591 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -68.02 -22.67 64.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.616 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.444 ' OG ' ' O ' ' B' ' 19' ' ' SER . 77.2 p -82.37 -2.51 53.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.556 -179.911 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -59.7 -43.45 94.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.433 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 3.3 m-20 -102.15 104.49 36.95 Favored Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.648 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.29 -17.23 19.09 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.488 2.125 . . . . 0.0 112.125 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.99 -43.93 97.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 90.7 t -65.34 -45.59 92.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.575 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.0 -44.4 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.404 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.76 91.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.483 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.65 -48.64 74.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.621 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 71.9 p -64.61 -40.29 95.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.739 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.404 ' O ' ' CB ' ' B' ' 36' ' ' LEU . 95.9 mt -64.76 -42.98 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.603 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 70.3 mt -60.95 -44.35 97.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.856 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.42 -52.06 33.31 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.472 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.13 -44.7 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.31 . . . . 0.0 110.841 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.404 ' CB ' ' O ' ' B' ' 32' ' ' ILE . 56.9 tp -62.44 -44.88 95.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.962 0.411 . . . . 0.0 110.946 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.42 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.4 t60 -61.88 -40.23 94.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.372 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.412 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 13.7 mt -61.48 -38.81 88.62 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.057 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.1 -44.32 98.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 120.186 -0.606 . . . . 0.0 110.278 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.31 -41.36 61.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.147 0.498 . . . . 0.0 111.291 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -70.34 -46.32 64.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.855 -179.116 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 10.6 tp -61.26 -38.78 80.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.379 -179.193 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.9 -39.95 93.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.248 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.456 ' CG ' ' NH1' ' C' ' 45' ' ' ARG . 42.5 t0 -62.06 -39.17 91.48 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.506 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.471 ' NH1' ' CG ' ' A' ' 44' ' ' ASP . 18.7 mmm180 -79.79 -16.95 54.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.839 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.6 tp -61.73 -44.55 96.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.445 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -86.85 -37.51 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.875 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' B' ' 45' ' ' ARG . 40.6 m-85 -100.09 133.07 45.03 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.988 0.423 . . . . 0.0 110.453 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.692 -179.919 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 19' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' C' ' 22' ' ' SER . 19.8 m . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.76 -40.74 97.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.461 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 43.1 p-10 -68.3 -22.64 64.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 22' ' ' SER . . . . . 0.437 ' OG ' ' O ' ' C' ' 19' ' ' SER . 78.0 p -82.33 -2.43 52.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.515 -179.829 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -59.84 -43.42 94.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.43 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' C' ' 24' ' ' ASP . 3.3 m-20 -102.17 104.59 37.66 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.651 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.56 -16.7 18.85 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.397 2.064 . . . . 0.0 112.112 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.24 -44.23 95.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.766 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.11 -45.73 93.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.439 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.83 -44.48 98.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.506 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.74 -40.68 93.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.491 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.79 -48.94 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.633 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 73.0 p -64.35 -40.44 95.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.794 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.405 ' O ' ' CB ' ' C' ' 36' ' ' LEU . 96.3 mt -64.67 -42.9 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.646 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.01 -44.26 97.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.788 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.6 -51.84 33.82 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.408 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.48 -44.52 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.7 0.286 . . . . 0.0 110.786 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' C' ' 32' ' ' ILE . 56.4 tp -62.57 -44.81 95.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.995 0.426 . . . . 0.0 111.056 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.433 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.6 t60 -62.12 -39.93 94.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.317 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.42 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 13.5 mt -61.67 -38.78 89.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.995 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.33 -44.25 98.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.299 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.0 mt -74.44 -41.62 60.54 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.159 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -69.87 -46.51 65.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.876 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 10.7 tp -61.47 -38.34 79.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.33 -179.117 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 28.1 mt -62.24 -39.74 93.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.147 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.481 ' CG ' ' NH1' ' D' ' 45' ' ' ARG . 43.2 t0 -62.01 -39.49 92.44 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.555 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.456 ' NH1' ' CG ' ' B' ' 44' ' ' ASP . 18.5 mmm180 -79.62 -17.09 54.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 44.9 tp -61.45 -44.87 96.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.4 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -86.57 -37.96 17.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.749 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.414 ' O ' ' O ' ' C' ' 45' ' ' ARG . 40.4 m-85 -99.72 132.98 44.72 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.498 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.641 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' D' D ' 19' ' ' SER . . . . . 0.446 ' O ' ' OG ' ' D' ' 22' ' ' SER . 19.8 m . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.84 -40.9 97.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.591 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -68.26 -22.45 64.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.698 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 22' ' ' SER . . . . . 0.446 ' OG ' ' O ' ' D' ' 19' ' ' SER . 77.0 p -82.2 -3.04 54.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.526 -179.916 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 11.6 t -59.43 -43.59 93.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.445 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' D' ' 24' ' ' ASP . 3.4 m-20 -102.08 104.4 36.12 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.637 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.32 -17.23 19.02 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.44 2.093 . . . . 0.0 112.093 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.81 -44.11 97.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.801 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 90.7 t -65.27 -45.48 93.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.475 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.0 -44.88 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.42 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.39 91.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.53 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.438 ' HB3' ' H5 ' ' C' ' 100' ' ' 3LW . . . -54.96 -49.15 72.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.705 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 74.3 p -64.26 -40.2 95.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.725 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.404 ' O ' ' CB ' ' D' ' 36' ' ' LEU . 96.1 mt -64.83 -42.86 96.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.658 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 71.0 mt -60.98 -44.58 98.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.77 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . 1.009 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -67.19 -52.05 34.45 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.299 -179.532 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.43 -44.48 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.94 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . 0.404 ' CB ' ' O ' ' D' ' 32' ' ' ILE . 57.4 tp -62.47 -44.59 96.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.064 0.459 . . . . 0.0 111.034 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.438 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.6 t60 -62.43 -39.78 94.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.373 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.433 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 13.4 mt -61.84 -38.93 90.03 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.886 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.06 -44.31 98.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.339 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 94.0 mt -74.38 -41.23 61.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.102 0.477 . . . . 0.0 111.256 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -70.34 -46.49 64.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.827 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 10.8 tp -61.32 -38.51 80.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.246 -179.086 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 29.2 mt -62.12 -39.96 94.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.239 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.459 ' CG ' ' NH1' ' A' ' 45' ' ' ARG . 43.3 t0 -61.97 -39.02 90.71 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.535 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.481 ' NH1' ' CG ' ' C' ' 44' ' ' ASP . 18.6 mmm180 -80.08 -16.62 54.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 44.3 tp -61.98 -44.34 96.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.438 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -87.14 -37.68 17.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.754 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -99.88 132.77 45.03 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.918 0.39 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.646 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 1.009 'BR ' ' HA3' ' D' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.1 -39.16 93.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.494 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.92 -41.35 95.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -59.88 -43.43 94.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.578 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.0 m -142.61 113.98 7.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.809 0.338 . . . . 0.0 110.359 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -85.13 153.55 59.78 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.351 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.52 -17.34 53.12 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.83 2.354 . . . . 0.0 111.952 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.436 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 10.3 mp -61.88 -41.8 98.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.431 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.92 -48.81 86.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.027 0.441 . . . . 0.0 110.598 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.2 t -65.49 -43.86 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.253 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.49 -38.7 90.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.579 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.67 -49.89 71.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.559 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.1 m -62.59 -41.78 99.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.769 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.58 -42.4 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.546 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 70.7 mt -61.24 -43.94 97.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.753 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.78 -53.5 37.5 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 120.638 -0.792 . . . . 0.0 111.207 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.408 HG21 HD11 ' A' ' 35' ' ' ILE . 97.6 mt -65.92 -44.44 92.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.837 0.351 . . . . 0.0 110.949 -179.9 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.07 -44.74 96.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.008 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.457 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.8 t60 -63.5 -39.29 94.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.293 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.436 ' O ' ' CG2' ' A' ' 42' ' ' ILE . 11.7 mt -61.54 -39.75 92.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.178 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.02 -44.22 98.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.364 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.1 mt -73.31 -42.8 61.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.028 0.442 . . . . 0.0 110.987 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -69.11 -48.17 63.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.769 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.436 ' CG2' ' O ' ' A' ' 38' ' ' LEU . 17.9 tt -61.76 -35.79 69.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.936 0.398 . . . . 0.0 110.077 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.66 -43.01 99.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.345 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.438 ' O ' ' CD2' ' A' ' 48' ' ' PHE . 99.1 m-20 -64.52 -38.44 91.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.713 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 48' ' ' PHE . 21.7 mmt85 -84.8 -8.43 58.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.587 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.38 -47.2 85.19 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.481 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -78.18 -37.62 45.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.916 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 44' ' ' ASP . 1.6 m-85 -94.43 124.47 38.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 -179.348 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.863 -1.065 . . . . 0.0 110.668 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.42 ' H3 ' ' H ' ' B' ' 20' ' ' ASN . 7.8 p . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.42 ' H ' ' H3 ' ' B' ' 19' ' ' SER . 98.8 m-20 -63.71 -38.66 91.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.466 179.953 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.53 -41.21 97.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.521 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.5 t -60.21 -43.4 96.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.459 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 41.0 m -142.4 113.69 7.72 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.854 0.359 . . . . 0.0 110.284 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 0.3 OUTLIER -84.96 153.54 60.26 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.376 -179.691 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.63 -17.44 52.8 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.755 2.303 . . . . 0.0 111.871 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.44 ' CD1' ' N ' ' B' ' 26' ' ' LEU . 10.2 mp -61.7 -41.88 98.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.546 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.86 -48.79 86.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.922 0.391 . . . . 0.0 110.519 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.6 -43.82 93.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.262 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.64 90.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.484 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.68 -49.97 71.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.584 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 51.9 m -62.51 -41.79 99.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.763 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.411 HD12 HG23 ' B' ' 32' ' ' ILE . 96.7 mt -63.55 -42.36 95.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.54 -179.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 69.2 mt -61.2 -44.25 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.768 -179.608 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 0.801 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -63.42 -53.52 38.56 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 120.538 -0.839 . . . . 0.0 111.267 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.88 -44.49 92.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.02 -44.6 96.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.455 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.9 t60 -63.81 -39.18 93.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.358 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.457 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 11.3 mt -61.49 -39.73 91.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.123 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.96 -44.28 98.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.409 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.6 mt -73.48 -42.66 61.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.986 0.422 . . . . 0.0 111.043 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -69.07 -47.9 64.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.796 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.444 ' CG2' ' O ' ' B' ' 38' ' ' LEU . 17.6 tt -62.37 -35.6 70.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.886 0.374 . . . . 0.0 110.067 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 45.4 tp -61.78 -42.94 99.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.207 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.434 ' O ' ' CD2' ' B' ' 48' ' ' PHE . 99.0 m-20 -64.65 -38.77 92.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.772 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' B' ' 48' ' ' PHE . 21.7 mmt85 -84.37 -8.52 58.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.64 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 56.8 tp -62.33 -47.19 85.34 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.547 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -78.15 -37.74 45.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.979 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.434 ' CD2' ' O ' ' B' ' 44' ' ' ASP . 1.6 m-85 -94.41 124.17 38.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.47 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.635 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.1 -39.22 94.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.515 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.25 -41.14 96.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.461 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -60.05 -43.83 95.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 42.6 m -142.05 113.72 7.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.196 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' C' ' 24' ' ' ASP . 0.3 OUTLIER -84.86 153.51 60.59 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.384 -179.737 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.58 -17.48 53.01 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.853 2.369 . . . . 0.0 111.883 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.437 ' N ' ' CD1' ' C' ' 26' ' ' LEU . 10.3 mp -61.89 -41.97 98.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.548 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t -62.8 -48.78 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.962 0.41 . . . . 0.0 110.546 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 88.9 t -65.46 -43.87 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.291 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.24 92.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.508 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.0 -50.24 69.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.632 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 55.0 m -62.21 -42.02 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.744 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.42 -42.51 96.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.496 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 71.4 mt -60.91 -44.07 97.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.793 -179.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.73 -53.68 36.41 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.183 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.8 -44.41 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.14 -44.99 95.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.451 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.8 t60 -63.35 -39.12 93.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.328 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.455 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 11.6 mt -61.49 -39.91 92.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.26 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.86 -44.22 98.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.415 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 50.8 mt -73.48 -42.83 61.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.026 0.441 . . . . 0.0 111.06 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -68.83 -48.03 64.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.791 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.427 ' CG2' ' O ' ' C' ' 38' ' ' LEU . 17.8 tt -62.16 -35.59 69.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.042 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.91 -42.84 99.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.243 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.44 ' O ' ' CD2' ' C' ' 48' ' ' PHE . 99.2 m-20 -64.72 -38.41 90.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.751 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' C' ' 48' ' ' PHE . 21.5 mmt85 -84.71 -8.37 58.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.566 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.38 -47.34 84.58 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.471 -0.491 . . . . 0.0 110.494 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -78.08 -38.02 45.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.44 ' CD2' ' O ' ' C' ' 44' ' ' ASP . 1.6 m-85 -93.98 124.71 38.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.39 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.74 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.38 -39.06 93.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.5 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.19 -40.97 95.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.602 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 22.9 t -60.79 -42.91 98.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.315 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 45.1 m -142.48 113.94 7.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.185 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . 0.477 ' OD1' ' N ' ' D' ' 24' ' ' ASP . 0.3 OUTLIER -85.33 153.53 59.22 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.407 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.53 -17.4 53.15 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.782 2.321 . . . . 0.0 112.002 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.444 ' N ' ' CD1' ' D' ' 26' ' ' LEU . 10.3 mp -61.87 -42.02 98.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.501 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 92.2 t -62.68 -48.68 86.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.972 0.415 . . . . 0.0 110.525 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.6 -43.86 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.275 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.6 90.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.52 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.57 -50.22 70.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.573 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 51.6 m -62.35 -41.71 98.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.808 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.59 -42.36 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.479 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 69.6 mt -61.23 -44.07 97.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.79 -179.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.56 -53.58 37.7 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.3 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.86 -44.6 92.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.01 -44.76 96.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.407 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.8 t60 -63.49 -39.32 94.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.273 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.451 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 11.4 mt -61.47 -39.87 92.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.091 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 94.9 mt -61.93 -44.3 98.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.433 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 51.3 mt -73.24 -42.52 62.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.009 0.433 . . . . 0.0 111.005 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -69.12 -48.52 62.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.818 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.432 ' CG2' ' O ' ' D' ' 38' ' ' LEU . 17.8 tt -61.72 -35.53 68.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.028 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 45.4 tp -61.97 -43.0 99.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.257 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.44 ' O ' ' CD2' ' D' ' 48' ' ' PHE . 99.3 m-20 -64.6 -38.44 91.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.701 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' D' ' 48' ' ' PHE . 21.8 mmt85 -84.62 -8.34 58.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.661 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.46 -47.25 84.85 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.54 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -78.32 -37.48 44.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.917 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.44 ' CD2' ' O ' ' D' ' 44' ' ' ASP . 1.6 m-85 -94.39 124.56 38.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.441 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.699 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 0.801 'BR ' ' HA3' ' B' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -69.06 -70.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.67 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 22' ' ' SER . 46.8 p-10 -66.97 -33.65 76.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.511 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 54.1 m -59.38 -42.16 91.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.681 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.8 m -93.11 93.3 8.22 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.233 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -78.21 150.13 76.95 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.211 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.19 -24.32 51.52 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.164 1.91 . . . . 0.0 111.871 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.429 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 10.2 mp -64.2 -41.81 96.91 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.683 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.0 t -61.82 -51.09 76.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-O 121.082 0.468 . . . . 0.0 111.112 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 28.3 m -66.55 -43.06 90.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.083 179.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.51 -40.99 75.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.011 179.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.413 ' HB2' ' H5A' ' C' ' 100' ' ' 3LW . . . -57.25 -43.24 82.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.54 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.1 m -60.24 -46.02 91.22 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.78 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.452 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 1.2 mp -67.03 -41.32 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.767 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.15 -45.04 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.919 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.06 -50.97 36.53 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.372 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.39 -43.2 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.64 0.257 . . . . 0.0 111.485 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.91 -43.7 98.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.758 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.453 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 8.1 t60 -62.11 -41.87 98.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.871 0.367 . . . . 0.0 110.543 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.446 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 9.1 mt -61.82 -39.98 93.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.358 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.413 HD11 HG22 ' A' ' 39' ' ' ILE . 97.1 mt -62.3 -45.1 99.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.476 -179.427 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.24 -44.43 65.33 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.512 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.418 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 65.3 t90 -68.92 -46.28 68.68 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.975 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.41 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 3.8 tp -64.02 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 43.9 tp -64.67 -39.36 93.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.284 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -61.11 -31.99 71.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.294 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -59.65 -34.68 73.13 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.926 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.86 -43.32 99.08 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.23 -179.545 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -63.19 -45.3 92.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -140.33 147.58 40.07 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.283 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.477 179.794 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -69.16 -70.49 0.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.669 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' B' ' 22' ' ' SER . 47.0 p-10 -66.96 -33.62 75.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.526 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 54.2 m -59.37 -42.2 91.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.657 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 40.7 m -93.06 93.14 8.16 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.334 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -78.2 150.14 76.99 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.192 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.16 -24.19 51.91 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 C-N-CA 122.121 1.88 . . . . 0.0 111.931 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.435 ' CD1' ' N ' ' B' ' 26' ' ' LEU . 10.2 mp -64.38 -41.75 96.53 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.629 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.91 -51.06 77.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 120.966 0.412 . . . . 0.0 111.104 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 28.2 m -66.54 -43.01 90.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.018 179.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.63 -40.86 76.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.081 179.774 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.27 -43.28 82.94 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.494 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -60.32 -46.01 91.4 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.448 ' N ' ' CD1' ' B' ' 32' ' ' ILE . 1.2 mp -66.9 -41.47 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.722 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 71.8 mt -60.0 -45.12 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.906 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . 1.0 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -68.07 -51.0 36.23 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.322 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.29 -43.16 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.553 0.216 . . . . 0.0 111.576 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.78 -43.74 98.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.813 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.455 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 8.1 t60 -62.07 -42.0 98.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.483 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.453 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 8.9 mt -61.82 -39.9 93.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.351 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . 0.427 HG22 HD11 ' B' ' 39' ' ' ILE . 97.1 mt -62.39 -45.02 99.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.411 -179.409 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.32 -44.55 64.92 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.839 -0.345 . . . . 0.0 111.387 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 65.3 t90 -68.91 -46.29 68.69 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.933 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.411 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 3.9 tp -63.97 -40.67 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.411 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 43.9 tp -64.75 -39.32 93.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.207 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -61.19 -31.88 71.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.239 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' B' ' 48' ' ' PHE . 83.7 mtp180 -59.79 -34.66 73.32 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.891 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 10.4 mp -61.82 -43.39 98.94 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.229 -179.584 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -63.08 -45.38 92.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.579 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.411 ' O ' ' O ' ' B' ' 45' ' ' ARG . 97.4 m-85 -140.31 147.43 39.89 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.441 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.511 179.867 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -69.09 -70.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.613 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' C' ' 22' ' ' SER . 46.8 p-10 -67.1 -33.58 75.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 22' ' ' SER . . . . . 0.518 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 53.5 m -59.43 -42.06 91.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.665 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 40.6 m -93.13 93.33 8.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.921 0.391 . . . . 0.0 110.278 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -78.45 150.23 76.31 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.135 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.2 -24.3 51.5 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 122.241 1.961 . . . . 0.0 111.848 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.424 ' N ' ' CD1' ' C' ' 26' ' ' LEU . 10.2 mp -64.29 -41.77 96.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.671 -179.513 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 91.2 t -61.89 -51.08 76.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.097 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 28.3 m -66.52 -43.0 91.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.065 179.597 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.58 -40.95 76.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.986 179.849 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.25 -43.26 82.79 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.452 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 70.7 m -60.3 -46.02 91.34 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.83 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.456 ' CD1' ' N ' ' C' ' 32' ' ' ILE . 1.2 mp -67.09 -41.32 86.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.692 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.03 -45.16 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.869 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.12 -50.99 36.02 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.304 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.24 -43.22 95.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.592 0.235 . . . . 0.0 111.538 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.83 -43.83 98.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.77 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.462 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 8.0 t60 -62.02 -41.98 98.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.446 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.455 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 8.8 mt -61.86 -39.9 93.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.354 -179.104 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . 0.425 HD11 HG22 ' C' ' 39' ' ' ILE . 97.1 mt -62.36 -44.93 99.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.514 -179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.43 -44.55 64.63 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.434 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 65.0 t90 -68.86 -46.28 68.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.87 -179.035 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 3.8 tp -63.93 -40.75 90.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 43.8 tp -64.72 -39.36 93.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.177 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -61.11 -31.99 71.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.223 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -59.74 -34.61 73.18 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.898 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.96 -43.29 99.15 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.245 -179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -63.05 -45.4 92.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.647 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -140.32 147.53 40.02 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.371 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.471 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -68.94 -70.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.741 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' D' ' 22' ' ' SER . 46.9 p-10 -67.07 -33.69 76.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.787 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 22' ' ' SER . . . . . 0.525 ' N ' ' OD1' ' D' ' 21' ' ' ASP . 52.8 m -59.36 -42.15 90.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.698 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 40.7 m -93.05 93.26 8.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.281 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -78.42 150.23 76.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.128 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.21 -24.29 51.43 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.211 1.94 . . . . 0.0 111.854 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.437 ' N ' ' CD1' ' D' ' 26' ' ' LEU . 10.2 mp -64.23 -41.8 96.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.701 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.01 -50.85 78.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.961 0.41 . . . . 0.0 111.192 -178.65 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 28.2 m -66.63 -42.97 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.071 179.504 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.62 -40.87 76.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.985 179.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . 0.5 ' HB2' ' H5 ' ' C' ' 100' ' ' 3LW . . . -57.21 -43.43 82.77 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.45 179.957 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 69.9 m -60.18 -46.12 90.8 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.759 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.446 ' N ' ' CD1' ' D' ' 32' ' ' ILE . 1.2 mp -66.94 -41.34 87.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.759 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.03 -45.16 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.914 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.1 -51.0 36.09 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.341 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.21 -43.19 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.684 0.278 . . . . 0.0 111.596 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.86 -43.86 98.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.715 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.446 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 8.0 t60 -61.97 -42.0 98.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.0 0.428 . . . . 0.0 110.501 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.462 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 8.9 mt -61.81 -39.95 93.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.384 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . 0.425 HG22 HD11 ' D' ' 39' ' ' ILE . 97.0 mt -62.33 -45.01 99.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.434 -179.496 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.34 -44.53 64.89 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.472 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.415 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 65.1 t90 -68.76 -46.5 68.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.889 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.405 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 3.9 tp -63.85 -40.78 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 43.1 tp -64.7 -39.4 93.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.176 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -60.97 -32.07 71.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.328 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' D' ' 48' ' ' PHE . 83.7 mtp180 -59.71 -34.65 73.18 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.888 -179.424 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 10.5 mp -61.91 -43.2 99.34 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.292 -179.543 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -63.15 -45.4 92.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.645 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' D' ' 45' ' ' ARG . 97.3 m-85 -140.33 147.59 40.09 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.387 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.558 179.904 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 1.0 'BR ' ' HA3' ' B' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.9 t . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.404 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 51.6 p-10 -158.59 154.91 27.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.541 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -74.15 -15.52 61.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.614 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 m -65.41 -17.85 64.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.309 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.5 m -59.77 -41.86 92.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.731 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -103.38 98.73 12.97 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.615 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -76.48 -13.82 18.27 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.093 1.862 . . . . 0.0 112.492 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.76 -42.94 94.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.813 -178.777 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 4.6 m -66.88 -39.95 84.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.909 0.385 . . . . 0.0 110.669 -179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.7 t -61.02 -44.41 98.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.304 -179.78 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.2 87.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.522 ' HB1' ' H5A' ' C' ' 100' ' ' 3LW . . . -55.15 -47.74 74.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.522 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.9 m -61.0 -42.47 98.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.493 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.411 HD13 HG22 ' A' ' 32' ' ' ILE . 97.3 mt -63.89 -42.26 95.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.438 179.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 80.7 mt -61.36 -44.18 98.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.72 -179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.63 -52.42 48.89 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.202 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.02 -44.64 92.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.59 -46.61 87.52 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.149 0.499 . . . . 0.0 110.946 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 8.3 t60 -59.76 -40.41 88.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.194 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.67 -39.79 92.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 -179.491 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 93.7 mt -59.0 -49.27 83.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.219 -179.426 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -69.57 -42.83 73.98 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.619 -0.433 . . . . 0.0 111.668 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -67.22 -39.81 86.29 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.34 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 52.4 mt -62.75 -45.99 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.557 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mp -65.74 -37.63 86.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.477 179.589 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -52.8 -49.17 66.18 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.311 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -65.19 -34.38 78.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.009 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.08 -44.57 94.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.939 0.399 . . . . 0.0 110.13 -178.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . 0.426 ' O ' ' CG ' ' A' ' 48' ' ' PHE . 58.4 m-85 -61.06 -46.7 89.62 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.585 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.426 ' CG ' ' O ' ' A' ' 47' ' ' PHE . 85.5 m-85 -155.04 157.72 38.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.547 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 tttp . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.562 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 18.6 t . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -158.38 154.98 27.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.636 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -74.0 -15.74 61.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.68 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.2 m -65.2 -17.91 64.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.464 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 72.5 m -59.77 -41.93 92.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.687 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -103.34 98.75 12.91 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.612 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -76.37 -13.91 18.46 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.069 1.846 . . . . 0.0 112.503 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.89 -43.1 94.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.816 -178.642 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 3.9 m -66.6 -40.05 85.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.043 0.449 . . . . 0.0 110.69 -179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.5 t -61.03 -44.43 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.366 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.08 87.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.15 -47.8 74.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.465 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 62.3 m -60.91 -42.63 98.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.561 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.414 HG22 HD13 ' B' ' 32' ' ' ILE . 97.2 mt -63.75 -42.35 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.48 179.883 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . 0.404 HD12 HG21 ' B' ' 33' ' ' ILE . 79.4 mt -61.25 -44.23 98.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.823 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.6 -52.3 49.82 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.084 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.28 -44.49 91.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.117 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.78 -46.43 88.03 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.024 0.44 . . . . 0.0 110.882 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.41 ' CD2' ' C ' ' B' ' 37' ' ' HIS . 8.1 t60 -59.73 -40.59 88.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.118 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.5 -39.9 92.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.496 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 94.7 mt -58.79 -49.36 83.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.215 -179.447 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 mt -69.78 -42.84 73.27 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.521 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -67.0 -39.89 87.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.416 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 52.1 mt -62.78 -46.14 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.467 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mp -65.72 -37.45 86.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.456 179.615 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -53.32 -48.77 68.15 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.095 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -65.25 -34.41 78.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.102 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.08 -44.46 94.76 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.058 -178.599 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . 0.42 ' O ' ' CG ' ' B' ' 48' ' ' PHE . 58.5 m-85 -61.12 -46.69 89.56 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.589 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.42 ' CG ' ' O ' ' B' ' 47' ' ' PHE . 85.8 m-85 -154.98 157.6 37.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.654 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.0 tttp . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.504 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -158.68 154.94 27.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.612 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -73.97 -15.72 61.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.671 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 6.4 m -65.28 -17.96 64.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.357 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 73.3 m -59.77 -41.84 92.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.718 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -103.38 98.77 13.05 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.599 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -76.46 -13.76 18.33 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.035 1.823 . . . . 0.0 112.547 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.96 -42.99 95.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.846 -178.726 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 4.5 m -66.58 -40.16 85.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.98 0.419 . . . . 0.0 110.592 179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 86.6 t -60.98 -44.49 98.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.452 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -37.97 86.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.394 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.92 74.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.499 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 61.7 m -60.9 -42.53 98.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.553 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.433 HD13 HG22 ' C' ' 32' ' ' ILE . 97.2 mt -63.8 -42.3 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.43 -179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 79.7 mt -61.44 -44.06 97.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.733 -179.556 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . 0.995 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -62.63 -52.44 48.75 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.06 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.06 -44.59 91.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.216 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.71 -46.56 87.57 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.082 0.467 . . . . 0.0 110.823 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.411 ' CD2' ' C ' ' C' ' 37' ' ' HIS . 8.3 t60 -59.8 -40.36 88.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.21 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 14.5 mt -61.66 -39.75 92.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.473 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 93.9 mt -58.93 -49.26 83.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.19 -179.407 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.2 mt -69.6 -42.95 73.75 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.549 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -67.11 -39.92 86.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.481 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 52.6 mt -62.67 -46.2 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 121.091 -0.243 . . . . 0.0 110.485 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mp -65.59 -37.6 87.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.537 179.559 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -52.87 -49.25 66.2 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.163 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -65.16 -34.38 78.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.101 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.05 -44.64 94.54 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.038 -178.714 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . 0.426 ' O ' ' CG ' ' C' ' 48' ' ' PHE . 58.4 m-85 -61.04 -46.67 89.76 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.581 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.426 ' CG ' ' O ' ' C' ' 47' ' ' PHE . 85.3 m-85 -154.88 157.61 38.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.665 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 64.0 tttp . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.518 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -158.67 154.8 27.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.561 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -73.87 -15.62 61.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.63 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 6.3 m -65.44 -17.81 64.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.35 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 72.9 m -59.87 -41.84 92.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.679 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -103.35 98.72 12.88 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.687 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -76.45 -13.81 18.34 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.144 1.896 . . . . 0.0 112.435 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 10.8 mp -59.9 -43.17 94.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.818 -178.7 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . 0.405 ' CG2' ' N ' ' D' ' 28' ' ' VAL . 4.4 m -66.43 -40.33 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.027 0.441 . . . . 0.0 110.59 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . 0.405 ' N ' ' CG2' ' D' ' 27' ' ' VAL . 85.5 t -60.96 -44.49 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.391 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.2 87.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.75 74.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.428 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 62.2 m -60.88 -42.59 98.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.486 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.79 -42.39 95.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 81.0 mt -61.27 -44.21 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.69 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.59 -52.34 49.55 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.409 -0.901 . . . . 0.0 111.117 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.13 -44.58 91.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.684 0.278 . . . . 0.0 111.204 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.73 -46.46 88.0 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.079 0.466 . . . . 0.0 110.859 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.407 ' CD2' ' C ' ' D' ' 37' ' ' HIS . 8.1 t60 -59.69 -40.67 88.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.137 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 14.6 mt -61.54 -39.84 92.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 -179.395 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 94.1 mt -58.84 -49.29 83.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.178 -179.39 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 mt -69.64 -42.91 73.65 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.557 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -66.97 -39.93 87.34 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.558 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 53.7 mt -62.72 -45.93 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.596 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 8.6 mp -65.8 -37.62 86.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.46 179.567 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -52.94 -49.1 66.71 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.26 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -65.25 -34.35 78.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.06 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 1.3 tt -60.06 -44.53 94.66 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.895 0.378 . . . . 0.0 110.108 -178.699 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . 0.423 ' O ' ' CG ' ' D' ' 48' ' ' PHE . 58.4 m-85 -60.97 -46.72 89.62 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.592 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.423 ' CG ' ' O ' ' D' ' 47' ' ' PHE . 85.8 m-85 -155.08 157.66 37.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.615 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 64.0 tttp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.451 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 0.995 'BR ' ' HA3' ' C' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 54.42 51.1 14.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.674 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -65.38 -37.01 85.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.062 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.1 p -61.72 -22.73 65.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.461 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 m -78.51 0.7 25.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.511 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -43.72 152.69 0.43 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.49 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.34 -24.84 64.39 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.594 2.196 . . . . 0.0 111.94 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.452 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 10.0 mp -63.08 -44.84 94.63 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.549 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.5 t -68.03 -46.1 82.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.635 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.6 t -63.76 -44.48 98.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.492 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.74 95.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.647 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.87 -50.21 66.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.575 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -62.65 -43.03 99.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.753 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 91.1 mt -62.09 -41.71 92.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.859 -179.588 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.65 -43.12 86.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.7 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . 0.663 ' CA ' 'BR ' ' C' ' 100' ' ' 3LW . . . -60.0 -49.79 74.74 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.272 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . 0.411 HG22 HD12 ' A' ' 35' ' ' ILE . 43.3 mm -63.62 -47.82 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.668 0.27 . . . . 0.0 111.146 -179.602 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 44.4 mt -61.93 -43.62 98.47 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.137 -178.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.407 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 7.6 t60 -65.34 -41.97 93.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.741 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 mt -62.07 -40.53 96.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.396 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -61.55 -44.52 98.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.482 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.1 mt -74.35 -41.85 60.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.014 0.435 . . . . 0.0 111.184 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.408 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.4 t90 -68.28 -46.51 70.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.895 -178.956 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.4 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 18.6 tt -61.53 -38.6 80.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.219 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.4 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 1.5 tt -61.76 -41.36 97.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.196 0.522 . . . . 0.0 109.966 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.539 ' OD1' ' NH2' ' B' ' 45' ' ' ARG . 99.9 m-20 -59.36 -41.54 89.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.486 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.522 ' NH2' ' OD1' ' D' ' 44' ' ' ASP . 70.8 ttt180 -65.44 -21.64 66.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.279 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.78 -45.93 91.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.172 0.511 . . . . 0.0 110.31 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -61.28 -46.45 90.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' A' ' 45' ' ' ARG . 5.5 m-85 -110.08 118.64 36.95 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.376 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt . . . . . 0 C--O 1.221 -0.396 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.445 179.908 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 55.01 50.6 15.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.805 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -65.12 -37.1 86.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.039 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 80.9 p -61.9 -22.55 65.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.481 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 5.8 m -78.74 0.77 25.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.494 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -43.65 152.72 0.42 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.555 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.24 -25.07 64.93 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.626 2.217 . . . . 0.0 112.025 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.446 ' CD1' ' N ' ' B' ' 26' ' ' LEU . 9.9 mp -62.93 -45.06 94.28 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.604 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.2 t -68.06 -45.9 82.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.661 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.66 -44.43 98.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.41 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.68 96.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.521 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.78 -50.25 66.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.911 0.386 . . . . 0.0 110.658 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -62.78 -42.98 99.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.733 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.4 HD11 HG22 ' B' ' 32' ' ' ILE . 90.2 mt -62.1 -41.93 93.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 68.5 mt -58.27 -43.3 85.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.783 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.89 -49.91 73.46 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.222 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 43.2 mm -63.58 -47.6 90.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.189 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 44.1 mt -62.01 -43.76 98.14 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.141 -179.057 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.411 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 7.7 t60 -65.32 -41.93 93.5 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.822 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 mt -62.17 -40.49 96.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.741 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.45 -44.63 98.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.519 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 58.5 mt -74.2 -41.87 60.71 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.022 0.439 . . . . 0.0 111.11 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.407 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 75.1 t90 -68.34 -46.45 70.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.938 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 18.6 tt -61.54 -38.38 80.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.21 -179.141 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 tt -61.95 -41.46 98.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.18 0.514 . . . . 0.0 109.922 -179.161 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.505 ' OD1' ' NH2' ' C' ' 45' ' ' ARG . 99.8 m-20 -59.37 -41.55 89.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.461 -179.442 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.539 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 70.8 ttt180 -65.32 -21.84 66.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.998 0.428 . . . . 0.0 110.265 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.4 tt -61.74 -45.95 91.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.2 0.524 . . . . 0.0 110.335 -179.205 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -61.25 -46.44 90.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.436 ' O ' ' O ' ' B' ' 45' ' ' ARG . 5.5 m-85 -110.16 118.67 37.0 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.411 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.297 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 54.96 50.4 15.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.68 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -64.9 -36.97 86.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.071 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 84.0 p -61.88 -22.5 65.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.542 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 5.8 m -78.84 0.81 25.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.501 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -43.72 152.65 0.43 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.635 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.16 -25.06 65.48 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.583 2.189 . . . . 0.0 111.972 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.459 ' N ' ' CD1' ' C' ' 26' ' ' LEU . 9.9 mp -63.0 -44.89 94.77 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.58 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.05 -46.17 82.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.59 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.61 -44.44 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.603 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.71 95.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.595 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.82 -50.13 66.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.633 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -62.91 -42.9 99.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.788 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 91.5 mt -62.05 -41.82 92.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.797 -179.685 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 68.6 mt -58.45 -43.24 86.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.662 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -49.81 74.53 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 120.581 -0.818 . . . . 0.0 111.244 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 43.8 mm -63.7 -47.59 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.218 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 44.0 mt -62.02 -43.55 98.59 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.12 -179.06 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.402 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 7.7 t60 -65.47 -41.87 92.86 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.764 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . . . . . . . . . 2.3 mt -62.34 -40.29 95.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.325 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 79.0 mt -61.61 -44.58 98.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.523 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 59.7 mt -74.2 -42.01 60.49 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.952 0.406 . . . . 0.0 111.094 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.411 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 74.9 t90 -68.27 -46.69 69.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.848 -178.89 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 18.7 tt -61.5 -38.26 79.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.193 -179.079 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 tt -62.0 -41.49 98.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.208 0.528 . . . . 0.0 109.883 -179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.525 ' OD1' ' NH2' ' D' ' 45' ' ' ARG . 99.8 m-20 -59.28 -41.69 89.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.466 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.505 ' NH2' ' OD1' ' B' ' 44' ' ' ASP . 70.3 ttt180 -65.31 -21.68 66.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.324 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.65 -46.16 90.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.279 0.561 . . . . 0.0 110.263 -179.225 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -61.16 -46.71 89.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.752 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.443 ' O ' ' O ' ' C' ' 45' ' ' ARG . 5.5 m-85 -109.84 118.67 37.12 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.485 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.895 -1.05 . . . . 0.0 110.408 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 22.7 m . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 54.61 51.05 14.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.718 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -65.17 -36.98 85.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.162 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 80.4 p -62.02 -22.34 65.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.979 0.419 . . . . 0.0 110.518 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 5.8 m -78.79 0.67 26.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.567 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -43.71 152.6 0.43 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.526 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.14 -25.08 65.68 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.573 2.182 . . . . 0.0 112.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.448 ' N ' ' CD1' ' D' ' 26' ' ' LEU . 9.9 mp -62.93 -44.97 94.63 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.574 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 82.1 t -67.96 -46.27 82.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.623 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.52 -44.51 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.506 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.67 96.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.634 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.85 -50.07 67.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.857 0.361 . . . . 0.0 110.704 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -62.83 -42.89 99.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.8 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.409 HD11 HG22 ' D' ' 32' ' ' ILE . 91.5 mt -62.13 -41.78 92.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.814 -179.666 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 68.3 mt -58.53 -43.2 86.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.72 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -49.86 74.02 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.258 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mm -63.56 -47.62 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.208 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 45.4 mt -61.87 -43.77 98.17 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.125 -179.095 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.408 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 7.8 t60 -65.48 -41.78 92.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.767 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . . . . . . . . . 2.4 mt -62.36 -40.35 96.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 -179.332 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.52 -44.63 98.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.551 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 59.0 mt -74.26 -42.01 60.34 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.132 0.492 . . . . 0.0 111.187 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.402 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 75.3 t90 -68.19 -46.61 70.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.857 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 18.6 tt -61.49 -38.25 79.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.238 -179.117 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 1.5 tt -62.0 -41.43 98.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.234 0.54 . . . . 0.0 109.965 -179.211 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.522 ' OD1' ' NH2' ' A' ' 45' ' ' ARG . 99.9 m-20 -59.4 -41.41 89.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.446 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.525 ' NH2' ' OD1' ' C' ' 44' ' ' ASP . 70.6 ttt180 -65.45 -21.88 66.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.296 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 2.5 tt -61.67 -45.98 91.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.166 0.507 . . . . 0.0 110.239 -179.102 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -61.26 -46.59 89.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.746 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' D' ' 45' ' ' ARG . 5.4 m-85 -109.93 118.4 36.36 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.348 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.418 179.839 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 0.663 'BR ' ' CA ' ' A' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.7 m120 55.78 35.71 25.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.642 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.66 -38.09 89.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.681 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -59.4 -43.92 92.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.588 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.2 p -148.14 119.54 7.88 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.882 0.372 . . . . 0.0 110.46 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 0.8 OUTLIER -62.06 151.91 79.24 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.417 -179.448 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.09 -21.9 48.29 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.614 2.21 . . . . 0.0 111.679 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.09 -47.82 82.94 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.401 -178.719 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.8 t -63.57 -44.67 98.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.346 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.42 -43.77 97.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.383 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -39.85 85.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.547 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.96 -46.39 78.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.527 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' SER . . . . . 0.492 ' HG ' ' N ' ' A' ' 32' ' ' ILE . 78.1 p -67.08 -39.79 86.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.771 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . 0.492 ' N ' ' HG ' ' A' ' 31' ' ' SER . 95.2 mt -64.27 -42.96 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.587 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.56 -44.65 97.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.745 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.46 -48.55 23.28 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.418 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.41 -45.52 92.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.771 0.319 . . . . 0.0 110.835 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 32' ' ' ILE . 46.9 tp -63.34 -44.94 93.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.418 ' ND1' HD22 ' B' ' 38' ' ' LEU . 7.4 t60 -59.77 -40.56 88.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.337 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.408 ' O ' ' CG1' ' A' ' 42' ' ' ILE . 14.4 mt -61.4 -39.86 92.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.046 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.0 -47.19 90.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.327 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.62 -44.27 62.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.085 0.469 . . . . 0.0 111.168 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -65.52 -35.65 81.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.844 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 38' ' ' LEU . 2.6 mm -63.48 -44.68 98.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.31 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.8 mt -61.19 -40.24 93.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.551 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 48' ' ' PHE . 55.3 t0 -63.11 -32.79 74.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.605 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -59.11 -44.44 91.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.487 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.86 -42.17 97.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.614 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -100.58 21.87 12.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.805 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.457 ' O ' ' CG ' ' A' ' 48' ' ' PHE . 2.4 p90 -50.15 128.42 19.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.442 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.85 -1.072 . . . . 0.0 110.485 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 18.1 m120 55.9 35.59 25.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.647 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.34 -38.24 90.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.4 t -59.07 -44.14 91.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.669 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 95.4 p -148.03 119.62 7.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.48 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 0.8 OUTLIER -62.04 151.86 79.31 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.524 -179.463 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.98 -21.86 49.06 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.565 2.177 . . . . 0.0 111.782 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.21 -47.42 84.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.294 0.568 . . . . 0.0 110.331 -178.723 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 95.5 t -63.87 -44.58 98.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.386 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.8 t -61.44 -43.91 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.358 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.2 86.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.435 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.92 77.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.506 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 31' ' ' SER . . . . . 0.485 ' HG ' ' N ' ' B' ' 32' ' ' ILE . 78.0 p -66.63 -39.94 88.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.809 179.942 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . 0.485 ' N ' ' HG ' ' B' ' 31' ' ' SER . 94.7 mt -64.31 -42.89 96.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.649 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 74.0 mt -60.54 -44.76 97.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.716 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.3 -48.75 23.41 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.425 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.18 -45.66 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.899 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . 0.404 ' CB ' ' O ' ' B' ' 32' ' ' ILE . 46.8 tp -63.18 -44.86 94.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.096 0.474 . . . . 0.0 110.875 -179.154 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -59.8 -40.29 87.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.312 -179.704 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.418 HD22 ' ND1' ' A' ' 37' ' ' HIS . 14.7 mt -61.64 -39.77 92.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 92.9 mt -59.11 -47.13 91.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.462 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.69 -43.62 62.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.089 0.471 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -66.38 -35.02 79.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.028 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' B' ' 38' ' ' LEU . 2.6 mm -63.93 -44.74 98.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.268 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.4 mt -61.16 -40.33 93.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' B' ' 48' ' ' PHE . 55.1 t0 -63.08 -32.55 73.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.631 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -59.43 -44.5 92.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.579 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 11.2 mp -63.65 -42.37 98.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.648 180.0 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -100.43 21.58 12.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.792 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' B' ' 44' ' ' ASP . 2.4 p90 -49.68 128.47 17.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.465 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.417 179.838 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 38.7 m . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 17.3 m120 55.72 35.44 25.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.703 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.27 -38.31 90.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.1 t -58.95 -44.24 91.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.678 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 90.2 p -148.13 119.83 8.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.938 0.399 . . . . 0.0 110.363 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' C' ' 24' ' ' ASP . 0.8 OUTLIER -62.41 151.81 81.68 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.475 -179.43 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.73 -22.08 50.51 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.552 2.168 . . . . 0.0 111.766 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.13 -47.55 84.08 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.421 -178.712 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.76 -44.63 98.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.348 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.54 -44.11 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.333 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.43 -40.18 85.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.475 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.72 -46.37 77.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.57 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 31' ' ' SER . . . . . 0.492 ' HG ' ' N ' ' C' ' 32' ' ' ILE . 78.3 p -66.99 -39.87 87.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.755 179.856 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . 0.492 ' N ' ' HG ' ' C' ' 31' ' ' SER . 94.2 mt -64.29 -42.88 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.618 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.37 -44.84 96.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.731 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.29 -48.92 22.66 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.508 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.07 -45.54 94.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.896 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' C' ' 32' ' ' ILE . 46.9 tp -63.22 -44.84 94.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.01 0.433 . . . . 0.0 110.906 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.404 ' CD2' ' C ' ' C' ' 37' ' ' HIS . 7.6 t60 -59.88 -40.41 88.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.414 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.402 ' O ' ' CG1' ' C' ' 42' ' ' ILE . 14.6 mt -61.52 -39.94 92.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 93.8 mt -58.82 -47.52 89.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 C-N-CA 120.156 -0.617 . . . . 0.0 110.406 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 87.5 mt -72.38 -44.04 63.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.07 0.462 . . . . 0.0 111.26 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -65.81 -35.45 80.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.966 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' C' ' 38' ' ' LEU . 2.6 mm -63.63 -44.85 98.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.248 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 66.8 mt -61.06 -40.53 94.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.614 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' C' ' 48' ' ' PHE . 54.6 t0 -62.82 -32.8 74.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.605 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -59.09 -44.43 91.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.617 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 11.3 mp -63.78 -42.11 97.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.654 179.968 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -100.74 21.8 12.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.796 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' C' ' 44' ' ' ASP . 2.4 p90 -50.05 128.48 18.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.451 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.538 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 32.8 m . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 17.3 m120 55.67 35.74 25.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.526 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -63.58 -37.97 89.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.549 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -59.34 -44.05 92.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.639 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 97.0 p -148.14 119.63 7.94 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.797 0.332 . . . . 0.0 110.327 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' D' ' 24' ' ' ASP . 0.8 OUTLIER -62.14 152.09 79.19 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.491 -179.462 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.05 -22.15 48.16 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.542 2.161 . . . . 0.0 111.775 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -62.05 -47.27 85.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.23 0.538 . . . . 0.0 110.414 -178.682 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 95.6 t -64.08 -44.57 97.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.372 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 84.2 t -61.48 -43.99 97.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -40.3 86.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.422 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.82 -46.36 78.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.532 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 31' ' ' SER . . . . . 0.481 ' HG ' ' N ' ' D' ' 32' ' ' ILE . 77.9 p -67.21 -39.52 86.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.771 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . 0.481 ' N ' ' HG ' ' D' ' 31' ' ' SER . 94.2 mt -64.54 -42.81 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.615 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 74.6 mt -60.43 -44.97 97.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.803 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . 0.966 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -72.3 -48.8 23.15 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.365 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.0 -45.65 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.79 0.328 . . . . 0.0 110.956 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . 0.403 ' CB ' ' O ' ' D' ' 32' ' ' ILE . 47.3 tp -63.36 -44.52 94.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.027 0.441 . . . . 0.0 110.916 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.401 ' CD2' ' C ' ' D' ' 37' ' ' HIS . 7.6 t60 -60.05 -40.11 88.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.405 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.405 ' O ' ' CG1' ' D' ' 42' ' ' ILE . 14.8 mt -61.76 -39.85 93.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.005 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 93.8 mt -58.93 -47.46 89.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.445 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.45 -43.83 63.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.073 0.464 . . . . 0.0 111.21 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -66.11 -35.37 80.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.939 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.405 ' CG1' ' O ' ' D' ' 38' ' ' LEU . 2.6 mm -63.61 -44.72 98.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.187 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.23 -40.29 93.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.626 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' D' ' 48' ' ' PHE . 55.5 t0 -63.1 -32.89 74.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.552 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -58.97 -44.48 91.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.551 -179.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 11.3 mp -63.66 -42.27 98.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.827 0.346 . . . . 0.0 110.704 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -100.66 21.59 13.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.779 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' D' ' 44' ' ' ASP . 2.4 p90 -49.69 128.46 17.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.383 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.824 -1.084 . . . . 0.0 110.489 179.83 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 0.966 'BR ' ' HA3' ' D' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -67.28 -24.38 65.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.562 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.12 -40.43 95.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.398 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 23' ' ' SER . 78.1 p -62.71 -38.61 91.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.797 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 22' ' ' SER . 24.2 p 45.12 97.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.656 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.68 151.47 82.61 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.604 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.22 -20.72 55.82 Favored 'Trans proline' 0 C--N 1.308 -1.569 0 C-N-CA 122.787 2.325 . . . . 0.0 112.008 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . 0.473 ' N ' ' CD1' ' A' ' 26' ' ' LEU . 9.2 mp -67.14 -39.92 86.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.429 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.14 -55.78 20.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -178.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . 0.451 ' CG1' ' N ' ' A' ' 29' ' ' ALA . 7.2 p -64.21 -42.95 97.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . 0.451 ' N ' ' CG1' ' A' ' 28' ' ' VAL . . . -57.39 -44.23 84.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.438 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . 0.502 ' HB1' ' H5 ' ' C' ' 100' ' ' 3LW . . . -54.28 -50.77 66.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.564 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.4 m -60.52 -42.75 97.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.704 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 94.0 mt -63.19 -42.48 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.428 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.3 mt -60.99 -43.92 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.641 -179.64 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.01 -52.62 39.98 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.72 -44.42 93.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.659 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.75 -44.6 95.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.447 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.5 t60 -64.5 -38.91 92.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.498 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.431 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 11.8 mt -61.35 -39.93 92.4 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.137 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . 0.413 HG22 HD11 ' A' ' 39' ' ' ILE . 88.4 mt -62.04 -44.05 98.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.14 0.495 . . . . 0.0 110.365 -179.463 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.4 mt -73.77 -41.17 62.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.944 0.402 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -70.48 -45.86 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.575 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . 0.418 ' CG2' ' N ' ' A' ' 43' ' ' LEU . 18.2 tt -63.56 -39.9 87.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.293 -178.613 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . 0.418 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 35.7 mt -62.44 -41.57 98.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.681 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -59.94 -42.22 93.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -65.84 -23.74 66.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.541 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tt -61.79 -45.86 92.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.051 0.453 . . . . 0.0 110.291 -179.338 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -62.9 -41.59 99.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.598 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -79.9 144.43 33.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.471 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.523 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -66.99 -25.01 66.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.411 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.59 -41.21 97.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.342 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 22' ' ' SER . . . . . 0.434 ' O ' ' O ' ' B' ' 23' ' ' SER . 78.1 p -61.92 -38.83 89.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 23' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' B' ' 23' ' ' SER . 20.6 p 45.52 97.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.696 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.61 151.44 82.76 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.632 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.11 -21.11 56.26 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.783 2.322 . . . . 0.0 111.992 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . 0.48 ' CD1' ' N ' ' B' ' 26' ' ' LEU . 9.3 mp -66.62 -39.95 88.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.507 -179.552 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 97.1 t -64.19 -55.77 20.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . 0.456 ' CG1' ' N ' ' B' ' 29' ' ' ALA . 7.2 p -64.11 -43.04 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.611 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . 0.456 ' N ' ' CG1' ' B' ' 28' ' ' VAL . . . -57.33 -44.57 84.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.405 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . 0.404 ' HB1' ' H5A' ' C' ' 100' ' ' 3LW . . . -54.02 -50.3 66.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.646 -179.916 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -61.36 -42.4 98.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.681 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.14 -42.28 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 73.7 mt -61.28 -44.01 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.625 -179.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.74 -52.66 40.49 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . 0.402 HG21 HD12 ' B' ' 35' ' ' ILE . 97.1 mt -65.85 -44.66 92.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.942 0.401 . . . . 0.0 110.718 -179.585 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.51 -44.89 95.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.055 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.456 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 7.3 t60 -64.12 -39.57 94.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.481 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.447 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 11.4 mt -60.77 -40.08 91.17 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.082 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.85 -43.89 98.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.028 0.442 . . . . 0.0 110.357 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.6 mt -73.93 -41.41 62.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.982 0.42 . . . . 0.0 110.875 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -70.05 -45.91 66.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.567 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . 0.435 ' CG2' ' N ' ' B' ' 43' ' ' LEU . 18.1 tt -63.47 -40.49 89.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.326 -178.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . 0.435 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 35.8 mt -61.86 -41.38 97.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -60.35 -42.2 95.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.432 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -65.82 -23.77 66.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.494 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tt -61.72 -46.03 91.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.098 0.475 . . . . 0.0 110.333 -179.328 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -62.72 -42.07 99.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.507 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.4 144.81 33.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.555 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.89 -1.052 . . . . 0.0 110.464 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -67.04 -24.97 66.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.521 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.51 -40.62 95.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 22' ' ' SER . . . . . 0.435 ' O ' ' O ' ' C' ' 23' ' ' SER . 78.1 p -62.58 -38.49 90.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.656 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 23' ' ' SER . . . . . 0.435 ' O ' ' O ' ' C' ' 22' ' ' SER . 24.5 p 45.06 97.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.676 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -76.32 151.85 83.55 Favored Pre-proline 0 N--CA 1.452 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.595 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.52 -20.77 53.75 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.677 2.251 . . . . 0.0 112.04 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . 0.467 ' N ' ' CD1' ' C' ' 26' ' ' LEU . 9.3 mp -67.01 -40.09 87.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.485 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 97.9 t -63.94 -55.84 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . 0.461 ' CG1' ' N ' ' C' ' 29' ' ' ALA . 7.5 p -64.23 -42.99 97.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.472 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . 0.461 ' N ' ' CG1' ' C' ' 28' ' ' VAL . . . -57.4 -44.31 84.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.443 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.21 -50.52 66.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.563 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -60.99 -42.85 99.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.619 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.11 -42.19 95.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.311 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 72.4 mt -61.17 -43.58 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.725 -179.682 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . 0.654 ' CA ' 'BR ' ' C' ' 100' ' ' 3LW . . . -65.4 -52.63 38.27 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.6 -44.61 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.653 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.6 -44.59 95.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.441 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.5 t60 -64.24 -39.3 93.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.456 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.456 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 11.4 mt -61.28 -39.69 91.36 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.332 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . 0.417 HD11 HG22 ' C' ' 39' ' ' ILE . 88.2 mt -62.25 -43.81 98.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.938 0.399 . . . . 0.0 110.287 -179.445 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 mt -73.95 -41.26 62.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.952 0.406 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 t90 -70.29 -46.26 64.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.588 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . 0.427 ' CG2' ' N ' ' C' ' 43' ' ' LEU . 18.3 tt -63.18 -40.19 88.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.423 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . 0.427 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 35.3 mt -62.13 -41.52 98.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.619 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -60.14 -41.97 93.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.465 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -66.01 -23.65 66.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.971 0.415 . . . . 0.0 110.597 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tt -61.9 -45.87 91.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.024 0.44 . . . . 0.0 110.332 -179.35 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -62.81 -41.66 99.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.604 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -79.67 145.07 33.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.508 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.501 -179.851 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -67.08 -25.19 66.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.446 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.25 -41.08 96.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.411 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 22' ' ' SER . . . . . 0.435 ' O ' ' O ' ' D' ' 23' ' ' SER . 78.1 p -61.94 -39.17 91.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.591 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 23' ' ' SER . . . . . 0.435 ' O ' ' O ' ' D' ' 22' ' ' SER . 22.0 p 45.64 97.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.682 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -76.47 151.9 83.25 Favored Pre-proline 0 N--CA 1.452 -0.373 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.671 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.43 -20.96 54.24 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.715 2.277 . . . . 0.0 112.0 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . 0.482 ' N ' ' CD1' ' D' ' 26' ' ' LEU . 9.2 mp -66.97 -39.74 87.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.467 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.36 -55.52 21.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . 0.458 ' CG1' ' N ' ' D' ' 29' ' ' ALA . 7.3 p -64.37 -42.94 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.581 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . 0.458 ' N ' ' CG1' ' D' ' 28' ' ' VAL . . . -57.54 -44.24 85.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.423 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.19 -50.36 67.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.564 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 49.1 m -61.27 -42.49 98.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.676 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.2 -42.31 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 72.7 mt -61.16 -44.04 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.568 -179.598 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.93 -52.73 39.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.4 -44.93 94.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.978 0.418 . . . . 0.0 110.739 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.37 -45.02 95.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.072 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.431 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.4 t60 -63.8 -39.49 94.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.435 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.441 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 11.7 mt -61.11 -39.93 91.82 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.243 -179.313 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.8 -43.93 98.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.107 0.479 . . . . 0.0 110.316 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 55.2 mt -73.94 -41.43 62.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.992 0.425 . . . . 0.0 110.82 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -70.17 -45.72 66.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.634 -178.634 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . 0.414 ' CG2' ' N ' ' D' ' 43' ' ' LEU . 18.1 tt -63.81 -39.59 85.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.342 -178.628 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 35.6 mt -62.78 -40.87 98.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.737 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -60.85 -41.86 96.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.499 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -66.02 -23.67 66.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 2.0 tt -62.04 -45.73 92.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.24 -179.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -62.73 -42.16 99.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.619 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -79.42 144.93 33.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.619 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.467 -179.773 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 0.654 'BR ' ' CA ' ' C' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' SER . . . . . 0.626 ' HG ' ' H ' ' A' ' 20' ' ' ASN . 13.4 p . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ASN . . . . . 0.626 ' H ' ' HG ' ' A' ' 19' ' ' SER . 98.9 m-20 -63.15 -40.16 96.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.404 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.96 -42.67 99.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.517 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.8 m -60.98 -42.92 99.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.7 p -101.12 87.12 3.17 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.12 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.97 150.0 67.92 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.478 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -68.21 -16.97 45.05 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.672 2.248 . . . . 0.0 112.191 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.27 -42.09 99.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.706 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.82 -47.18 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.217 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.3 t -65.97 -43.43 92.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.329 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.56 -31.02 63.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.349 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.68 -42.04 61.84 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.562 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -68.41 -44.36 75.19 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.007 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.25 -35.89 76.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.546 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 31.8 mt -62.2 -45.71 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.902 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.74 -52.01 55.12 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.171 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 37.5 mm -68.42 -44.34 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.842 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.18 -46.38 89.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.607 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' HIS . . . . . 0.445 ' ND1' ' CD2' ' B' ' 38' ' ' LEU . 7.8 t60 -64.93 -41.49 95.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.246 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' LEU . . . . . 0.415 ' CD2' ' ND1' ' D' ' 37' ' ' HIS . 9.4 mt -60.92 -40.94 95.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.406 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.87 -44.56 99.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.227 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.76 -43.28 69.13 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.206 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' TRP . . . . . 0.415 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 71.5 t90 -69.06 -46.75 67.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.493 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 16.3 tt -65.24 -39.67 86.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.953 0.406 . . . . 0.0 110.291 -179.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.12 -41.66 98.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.35 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.21 -41.22 98.17 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.482 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 48' ' ' PHE . 54.3 ttp180 -77.34 -15.61 59.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.852 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.3 tp -60.43 -47.37 86.41 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.294 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -74.19 -40.61 62.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PHE . . . . . 0.422 ' O ' ' O ' ' A' ' 45' ' ' ARG . 2.9 m-85 -114.03 126.29 54.95 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.439 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 mttp . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.451 179.761 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 19' ' ' SER . . . . . 0.644 ' HG ' ' H ' ' B' ' 20' ' ' ASN . 13.3 p . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 20' ' ' ASN . . . . . 0.644 ' H ' ' HG ' ' B' ' 19' ' ' SER . 98.8 m-20 -63.06 -40.19 96.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.473 179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.1 -42.48 99.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.526 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 36.7 m -61.1 -42.84 99.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 51.1 p -101.13 86.92 3.13 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.103 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.84 149.91 68.19 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.462 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -68.13 -17.06 45.49 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 122.693 2.262 . . . . 0.0 112.145 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 78.7 mt -62.21 -42.08 98.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.85 -47.09 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.938 0.399 . . . . 0.0 110.196 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.0 -43.34 92.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.349 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.67 -30.79 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.259 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.01 -41.96 61.07 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.52 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 77.6 p -68.42 -44.39 75.11 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.025 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.42 -35.76 76.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.573 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 32.0 mt -62.23 -45.57 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.198 179.769 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.85 -52.03 54.9 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.128 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 38.8 mm -68.31 -44.46 83.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.798 0.333 . . . . 0.0 110.905 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.13 -46.38 89.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.58 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 37' ' ' HIS . . . . . 0.424 ' ND1' ' CD2' ' C' ' 38' ' ' LEU . 8.0 t60 -65.1 -41.34 95.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.418 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 38' ' ' LEU . . . . . 0.445 ' CD2' ' ND1' ' A' ' 37' ' ' HIS . 8.8 mt -60.96 -40.93 95.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.37 -179.25 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.99 -44.42 99.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.22 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.82 -43.39 68.69 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.145 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 41' ' ' TRP . . . . . 0.407 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 71.5 t90 -68.86 -46.8 67.54 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.647 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 16.3 tt -65.22 -39.72 86.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.276 -179.387 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.05 -41.62 98.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.434 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.18 -41.18 98.08 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.594 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 45' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' B' ' 48' ' ' PHE . 54.4 ttp180 -77.4 -15.55 59.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 48.2 tp -60.37 -47.52 85.72 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.277 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -74.0 -40.69 62.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.036 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 48' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' B' ' 45' ' ' ARG . 2.9 m-85 -114.01 126.37 55.05 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.427 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 mttp . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.47 179.784 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 19' ' ' SER . . . . . 0.66 ' HG ' ' H ' ' C' ' 20' ' ' ASN . 13.6 p . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 20' ' ' ASN . . . . . 0.66 ' H ' ' HG ' ' C' ' 19' ' ' SER . 98.9 m-20 -63.21 -40.19 96.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.344 -179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.1 -42.52 99.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.538 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 35.1 m -61.0 -42.93 99.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 50.7 p -101.07 87.02 3.16 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.129 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.86 149.9 68.1 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.473 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -68.23 -16.92 44.89 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.727 2.285 . . . . 0.0 112.148 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.29 -42.17 99.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.702 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 90.9 t -62.82 -47.08 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.23 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 92.9 t -65.95 -43.44 92.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.402 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.51 -30.98 63.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.314 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.76 -42.08 61.57 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.582 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 77.8 p -68.45 -44.19 75.44 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.076 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.45 -35.97 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.468 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 32.5 mt -62.07 -45.69 98.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.154 179.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.49 -52.3 53.42 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.153 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 39.2 mm -68.25 -44.41 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.71 0.291 . . . . 0.0 110.969 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.12 -46.45 88.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.67 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 37' ' ' HIS . . . . . 0.456 ' ND1' ' CD2' ' D' ' 38' ' ' LEU . 7.9 t60 -64.97 -41.2 95.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.389 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 38' ' ' LEU . . . . . 0.424 ' CD2' ' ND1' ' B' ' 37' ' ' HIS . 9.3 mt -60.98 -41.1 95.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.304 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.8 -44.48 99.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.134 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.85 -43.3 68.76 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.177 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 71.9 t90 -68.94 -46.76 67.38 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.623 -179.319 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 16.3 tt -65.22 -39.68 86.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.327 -179.418 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.09 -41.59 98.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.418 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.2 -41.22 98.16 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.592 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 45' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' C' ' 48' ' ' PHE . 54.4 ttp180 -77.44 -15.59 59.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.779 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 47.8 tp -60.42 -47.43 86.13 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.283 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -74.03 -40.68 62.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.973 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' C' C ' 48' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' C' ' 45' ' ' ARG . 3.0 m-85 -114.1 126.41 55.06 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.423 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttp . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.479 179.806 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' D' D ' 19' ' ' SER . . . . . 0.645 ' HG ' ' H ' ' D' ' 20' ' ' ASN . 13.4 p . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 20' ' ' ASN . . . . . 0.645 ' H ' ' HG ' ' D' ' 19' ' ' SER . 98.9 m-20 -63.09 -40.2 96.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.384 179.994 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.02 -42.58 99.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.535 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.9 m -61.05 -42.92 99.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.741 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 50.2 p -101.18 87.49 3.26 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.014 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.21 150.06 67.21 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.429 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -68.37 -16.85 44.09 Favored 'Trans proline' 0 N--CA 1.497 1.68 0 C-N-CA 122.71 2.273 . . . . 0.0 112.077 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.42 -42.0 99.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.72 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 87.7 t -63.1 -46.94 94.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.811 -0.355 . . . . 0.0 110.197 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 92.6 t -65.96 -43.45 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.369 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.6 -30.83 63.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.389 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.84 -42.07 61.38 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.533 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 77.9 p -68.6 -44.27 74.68 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.948 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 20.3 tt -65.22 -36.12 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.566 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 32.0 mt -62.06 -45.72 98.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.148 179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 34' ' ' GLY . . . . . 0.545 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -60.62 -52.17 54.15 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.198 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 39.0 mm -68.3 -44.34 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.873 -179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.2 -46.24 89.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.799 0.333 . . . . 0.0 110.605 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 37' ' ' HIS . . . . . 0.415 ' ND1' ' CD2' ' A' ' 38' ' ' LEU . 7.9 t60 -65.13 -41.34 94.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.345 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 38' ' ' LEU . . . . . 0.456 ' CD2' ' ND1' ' C' ' 37' ' ' HIS . 8.8 mt -60.88 -41.0 95.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.389 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.97 -44.43 99.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.225 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.95 -43.24 68.56 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.116 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 41' ' ' TRP . . . . . 0.405 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 71.4 t90 -68.96 -46.75 67.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.603 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 16.3 tt -65.31 -39.6 85.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.861 0.362 . . . . 0.0 110.351 -179.44 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.17 -41.59 98.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.394 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.23 -41.26 98.24 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.553 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 45' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' D' ' 48' ' ' PHE . 54.5 ttp180 -77.37 -15.52 59.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.824 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 48.3 tp -60.36 -47.64 85.16 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.27 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -74.0 -40.55 62.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.007 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' D' D ' 48' ' ' PHE . . . . . 0.429 ' O ' ' O ' ' D' ' 45' ' ' ARG . 2.9 m-85 -114.01 126.29 54.96 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.433 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 mttp . . . . . 0 C--O 1.222 -0.375 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.447 179.771 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' C' C ' 100' ' ' 3LW . . . . . 0.545 'BR ' ' HA3' ' D' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.7 t . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.983 0.42 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.66 -43.89 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.252 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.57 94.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.51 -50.26 68.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.534 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -61.96 -42.1 98.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.673 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.49 -42.45 96.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.655 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.95 -45.02 99.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.718 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.9 -50.83 38.46 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.344 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.85 -43.95 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.624 0.25 . . . . 0.0 111.008 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.89 -46.38 89.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.975 0.417 . . . . 0.0 110.88 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.434 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.4 t60 -59.68 -39.55 84.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.212 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.435 HD21 ' ND1' ' D' ' 37' ' ' HIS . 14.2 mt -62.31 -38.01 87.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.814 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 90.2 mt -59.93 -45.53 95.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.13 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.17 -44.34 60.09 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.46 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.403 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 85.1 t90 -65.78 -40.04 91.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.996 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.54 -43.38 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.329 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.6 mt -61.52 -39.84 92.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.426 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.3 t70 . . . . . 0 C--N 1.324 -0.531 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.618 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 97.7 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.842 0.353 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.72 94.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.478 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.66 -50.2 68.76 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.663 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -61.91 -41.92 98.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.604 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.56 -42.4 96.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.714 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.02 -44.99 99.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.739 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.09 -50.75 37.92 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.278 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.73 -44.01 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.63 0.252 . . . . 0.0 111.002 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.9 -46.42 89.44 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.973 0.416 . . . . 0.0 110.922 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.469 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.3 t60 -59.57 -39.61 84.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.286 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.434 HD21 ' ND1' ' A' ' 37' ' ' HIS . 14.3 mt -62.34 -38.04 87.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.793 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.92 -45.56 95.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.109 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.3 mt -73.08 -44.48 60.42 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.482 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -65.71 -39.98 91.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.05 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.52 -43.31 96.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.363 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.55 -39.9 92.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.448 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 C--N 1.323 -0.546 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.676 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 96.3 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.837 0.351 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.55 94.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.6 -50.25 68.51 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.585 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 51.6 m -62.0 -42.05 98.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.667 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.49 -42.4 96.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.718 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.9 -45.06 98.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.757 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.15 -50.67 38.08 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.377 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.79 -43.87 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.671 0.272 . . . . 0.0 111.008 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.97 -46.46 89.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.91 0.386 . . . . 0.0 110.874 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.447 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.3 t60 -59.65 -39.45 84.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.266 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.469 HD21 ' ND1' ' B' ' 37' ' ' HIS . 14.1 mt -62.34 -38.03 87.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.822 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.94 -45.56 95.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.084 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.15 -44.46 60.04 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.458 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.402 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 85.2 t90 -65.69 -39.96 91.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.019 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.48 -43.39 96.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.277 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.65 -39.82 92.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.456 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--N 1.324 -0.533 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.649 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.3 t . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.912 0.386 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.75 -43.81 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.328 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.67 94.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.56 -50.19 68.55 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.551 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 53.7 m -61.99 -42.02 98.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.611 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.56 -42.4 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.742 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.0 -45.07 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.718 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.01 -50.71 38.68 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.29 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.87 -43.91 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.023 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.95 -46.41 89.41 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.859 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.435 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.2 t60 -59.58 -39.58 84.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.216 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.447 HD21 ' ND1' ' C' ' 37' ' ' HIS . 14.2 mt -62.38 -38.02 87.97 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.6 mt -59.91 -45.47 95.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.084 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 87.3 mt -73.17 -44.53 59.76 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.451 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -65.64 -40.04 92.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.984 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.46 -43.31 96.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.362 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.73 -39.74 92.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.413 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--N 1.324 -0.529 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.598 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.9 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.99 0.424 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.9 t -65.6 -43.8 93.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.191 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.92 -40.62 96.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.561 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.55 -49.36 72.87 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.475 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -62.11 -41.78 98.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.509 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.82 -42.34 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.2 mt -61.43 -44.56 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.932 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.11 -51.75 42.22 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.336 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.92 -44.52 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.727 0.298 . . . . 0.0 111.232 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.44 -44.42 94.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.639 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.606 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.2 t60 -60.34 -40.84 92.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.127 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.651 HD21 ' ND1' ' D' ' 37' ' ' HIS . 11.9 mt -61.23 -39.36 90.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.152 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.25 -44.31 98.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.893 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.46 ' N ' HD22 ' A' ' 40' ' ' LEU . 4.0 mm? -72.43 -43.41 63.85 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.348 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -69.31 -43.11 74.43 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.9 tt -63.84 -41.02 91.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.323 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -61.97 -44.13 97.4 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.791 0.329 . . . . 0.0 110.219 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 C--N 1.331 -0.222 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.332 179.871 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.909 0.385 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.41 95.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.551 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.57 -49.46 72.66 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.415 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.6 m -62.03 -41.85 98.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.52 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.79 -42.33 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.714 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.55 -44.42 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.804 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.28 -51.64 42.13 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.325 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.93 -44.61 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.703 0.287 . . . . 0.0 111.244 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.32 -44.42 95.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.624 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.655 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.2 t60 -60.38 -40.77 92.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.102 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.606 HD21 ' ND1' ' A' ' 37' ' ' HIS . 12.1 mt -61.42 -39.33 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.092 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.21 -44.35 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.851 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.451 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.0 mm? -72.36 -43.35 64.15 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.406 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -69.49 -43.12 73.79 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.519 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.9 tt -63.65 -41.13 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.435 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.548 ' O ' HD13 ' B' ' 43' ' ' LEU . 0.2 OUTLIER -61.74 -44.2 97.36 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.895 0.379 . . . . 0.0 110.255 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 C--N 1.33 -0.255 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.369 179.921 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.847 0.356 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.46 95.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.573 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.54 -49.48 72.53 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.398 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 50.4 m -62.04 -41.79 98.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.565 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.88 -42.28 95.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.693 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.49 -44.48 98.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.813 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.2 -51.75 41.75 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.369 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.89 -44.58 92.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.669 0.271 . . . . 0.0 111.256 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.31 -44.47 94.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.378 . . . . 0.0 110.64 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.61 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.1 t60 -60.37 -40.75 91.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.06 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.655 HD21 ' ND1' ' B' ' 37' ' ' HIS . 11.9 mt -61.42 -39.29 90.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.114 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.22 -44.37 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.92 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.461 ' N ' HD22 ' C' ' 40' ' ' LEU . 4.0 mm? -72.31 -43.48 64.1 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.367 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -69.39 -43.02 74.35 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.519 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.8 tt -63.8 -41.01 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.417 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.547 ' O ' HD13 ' C' ' 43' ' ' LEU . 0.2 OUTLIER -62.02 -44.21 97.2 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.17 -179.549 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 C--N 1.331 -0.204 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.363 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 73.7 t . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.891 0.376 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.56 -43.81 94.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.287 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.63 96.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.586 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.59 -49.4 72.86 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.407 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -62.06 -41.77 98.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.595 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.92 -42.25 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.669 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.45 -44.56 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.892 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.12 -51.78 41.94 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.38 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.82 -44.62 92.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.689 0.281 . . . . 0.0 111.256 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.34 -44.44 94.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.637 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.651 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.2 t60 -60.38 -40.79 92.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.071 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.61 HD21 ' ND1' ' C' ' 37' ' ' HIS . 12.1 mt -61.42 -39.33 90.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.097 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.27 -44.33 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 119.89 -0.724 . . . . 0.0 109.911 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 40' ' ' LEU . . . . . 0.45 HD22 ' N ' ' D' ' 40' ' ' LEU . 4.0 mm? -72.28 -43.33 64.41 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.391 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 73.3 t90 -69.55 -42.98 73.85 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.51 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.9 tt -63.88 -40.91 90.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.402 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.556 HD13 ' O ' ' D' ' 43' ' ' LEU . 0.2 OUTLIER -61.82 -44.3 97.13 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 110.235 -179.626 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 C--N 1.331 -0.216 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.385 179.877 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.3 t . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.005 0.431 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.1 t -64.57 -44.38 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.326 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.12 95.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.49 -50.02 68.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.519 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.0 t -62.91 -42.67 99.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.588 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.12 -42.4 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.642 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.2 mt -60.38 -44.79 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.815 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.65 -51.91 38.2 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.381 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.28 -43.43 95.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.679 0.276 . . . . 0.0 111.237 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.19 -46.38 90.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.56 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.7 t60 -59.85 -40.1 87.43 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.098 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.614 ' O ' HG22 ' A' ' 42' ' ' ILE . 9.2 mt -60.86 -39.19 88.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.18 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.103 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.473 ' N ' HD12 ' A' ' 40' ' ' LEU . 11.1 mp -72.81 -44.66 61.21 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.187 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 76.9 t90 -66.45 -46.44 76.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.504 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.3 tt -65.9 -32.64 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.412 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.56 -45.99 91.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.502 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.054 0.454 . . . . 0.0 110.371 -179.893 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.848 0.356 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.96 95.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.6 -50.02 69.04 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.457 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 38.6 t -62.88 -42.74 99.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 110.622 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.13 -42.33 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.636 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 69.5 mt -60.59 -44.74 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.707 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.5 -51.95 38.67 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.463 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.28 -43.51 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 111.26 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.17 -46.38 90.72 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.068 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.556 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -59.9 -40.03 87.41 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.047 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.621 ' O ' HG22 ' B' ' 42' ' ' ILE . 9.0 mt -60.72 -39.27 88.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.1 -44.64 99.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.144 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.468 ' N ' HD12 ' B' ' 40' ' ' LEU . 11.0 mp -72.88 -44.64 61.07 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.138 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.414 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 77.0 t90 -66.17 -46.73 76.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.531 -179.165 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.621 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.3 tt -65.88 -32.51 58.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.846 0.355 . . . . 0.0 110.487 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.58 -45.89 92.26 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.599 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--N 1.33 -0.276 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.266 -179.893 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 83.5 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.865 0.364 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.99 95.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.551 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.08 68.74 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.453 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 38.9 t -62.84 -42.72 99.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.632 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.11 -42.27 95.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.635 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 69.0 mt -60.56 -44.7 97.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.822 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.59 -52.02 37.64 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.337 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.17 -43.55 95.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.735 0.302 . . . . 0.0 111.163 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.19 -46.41 90.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.059 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.594 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -59.87 -40.05 87.35 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.078 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.622 ' O ' HG22 ' C' ' 42' ' ' ILE . 9.3 mt -60.85 -39.21 88.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.027 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.23 -44.49 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.175 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.472 HD12 ' N ' ' C' ' 40' ' ' LEU . 11.1 mp -72.87 -44.81 60.89 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.999 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 76.8 t90 -66.19 -46.57 76.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.504 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.622 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.4 tt -65.88 -32.63 58.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.374 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.58 -45.95 92.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.571 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--N 1.33 -0.246 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.426 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 83.4 t . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.977 0.418 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 82.3 t -64.74 -44.34 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.26 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.03 95.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.481 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.43 -50.03 68.59 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.573 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 38.7 t -62.91 -42.62 99.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.752 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.16 -42.32 96.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.615 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.55 -44.75 97.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.835 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.51 -52.04 37.92 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.374 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.13 -43.52 95.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.766 0.317 . . . . 0.0 111.254 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.17 -46.5 90.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.037 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.532 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.7 t60 -60.0 -39.89 87.32 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.101 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.624 ' O ' HG22 ' D' ' 42' ' ' ILE . 8.9 mt -60.79 -39.26 88.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.16 -44.44 99.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.226 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 40' ' ' LEU . . . . . 0.47 ' N ' HD12 ' D' ' 40' ' ' LEU . 11.0 mp -72.96 -44.64 60.88 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.979 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.416 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 77.4 t90 -66.14 -46.63 76.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.563 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.624 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.3 tt -66.02 -32.55 58.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.415 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.56 -45.95 91.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.528 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--N 1.329 -0.312 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.332 -179.911 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.0 t . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.902 0.382 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.49 -44.38 96.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.8 90.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.718 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.62 -49.46 67.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.574 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.0 p -64.46 -41.26 96.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.74 -42.42 95.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.537 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.441 HG23 HD11 ' B' ' 38' ' ' LEU . 71.1 mt -61.13 -43.99 97.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.785 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.85 -52.56 41.13 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.39 -44.11 90.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.691 0.282 . . . . 0.0 110.77 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.49 -46.84 88.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.215 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.632 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.4 t60 -61.9 -39.02 90.54 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.49 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.628 HD21 ' ND1' ' D' ' 37' ' ' HIS . 11.9 mt -61.45 -40.21 93.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.371 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.66 -43.34 96.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.08 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.451 ' N ' HD22 ' A' ' 40' ' ' LEU . 4.2 mm? -73.39 -44.24 58.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.092 0.473 . . . . 0.0 111.227 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.409 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 75.5 t90 -67.89 -46.76 70.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.543 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.5 tt -64.27 -34.52 69.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.359 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.3 tp -61.34 -42.8 99.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.331 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.427 -179.801 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.5 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.813 0.339 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.5 90.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.601 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.11 -49.25 69.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.7 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -64.73 -40.93 96.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.727 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.99 -42.56 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.519 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.441 HG23 HD11 ' C' ' 38' ' ' LEU . 70.3 mt -60.94 -44.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.672 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.57 -52.98 38.24 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.337 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.03 -44.25 92.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.23 -47.35 86.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.165 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -61.28 -39.19 89.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.597 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.632 HD21 ' ND1' ' A' ' 37' ' ' HIS . 12.0 mt -61.27 -40.3 93.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.498 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.6 -43.25 96.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.11 0.481 . . . . 0.0 110.15 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.458 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.2 mm? -73.6 -44.04 58.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.015 0.436 . . . . 0.0 111.174 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -67.99 -46.58 70.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.503 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.616 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.8 tt -64.47 -34.25 68.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.28 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.69 -42.74 99.35 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.299 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 65.3 t0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.459 -179.591 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 89.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.75 0.309 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.46 -38.54 90.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.677 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.02 -49.27 69.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.633 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 78.4 p -64.48 -41.35 96.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.808 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.78 -42.46 95.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.438 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.486 HG23 HD11 ' D' ' 38' ' ' LEU . 69.3 mt -60.88 -44.26 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.734 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.49 -52.61 41.8 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.469 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.9 mt -66.49 -44.15 90.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.713 0.292 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.22 -47.16 87.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.927 0.394 . . . . 0.0 111.205 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.631 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -61.65 -39.18 90.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.621 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.613 ' O ' HG22 ' C' ' 42' ' ' ILE . 11.8 mt -61.31 -40.07 92.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.372 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.83 -43.33 97.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.106 0.479 . . . . 0.0 110.217 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.457 ' N ' HD22 ' C' ' 40' ' ' LEU . 4.2 mm? -73.45 -43.8 59.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.087 0.47 . . . . 0.0 111.186 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.407 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 75.9 t90 -68.31 -46.78 69.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.486 -179.093 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.613 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.7 tt -64.26 -34.17 67.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.236 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 48.4 tp -61.68 -42.93 99.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.266 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 66.1 t0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.342 -179.554 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 88.3 t . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.889 0.376 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.1 t -64.59 -44.23 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.426 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.4 89.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.711 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.29 -49.65 69.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.694 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -63.99 -41.35 97.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 110.783 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.81 -42.6 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.474 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.461 HG23 HD11 ' A' ' 38' ' ' LEU . 69.1 mt -60.87 -44.04 96.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.773 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.81 -52.51 41.7 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.374 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.39 -44.3 90.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.801 0.334 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.17 -47.37 86.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.628 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -61.27 -39.49 90.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.456 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.631 HD21 ' ND1' ' C' ' 37' ' ' HIS . 11.9 mt -61.08 -40.3 93.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.474 -179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.6 -43.41 96.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 121.045 0.45 . . . . 0.0 110.08 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 40' ' ' LEU . . . . . 0.461 HD22 ' N ' ' D' ' 40' ' ' LEU . 4.2 mm? -73.39 -43.93 59.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.144 0.497 . . . . 0.0 111.226 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.412 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 75.6 t90 -68.09 -47.02 69.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.451 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.625 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.6 tt -64.14 -34.33 68.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.309 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 tp -61.48 -42.95 99.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.412 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 64.2 t0 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.394 -179.74 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.0 t . . . . . 0 C--O 1.236 0.382 0 CA-C-O 121.213 0.53 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.81 -47.14 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.269 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.04 -41.55 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.426 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.38 79.49 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.511 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.2 m -61.31 -46.29 90.91 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.511 ' N ' HD12 ' A' ' 32' ' ' ILE . 1.4 mp -66.76 -42.48 89.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.576 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.5 mt -58.32 -47.97 86.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.84 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.3 -48.87 35.66 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.472 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.13 -44.58 97.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.678 0.275 . . . . 0.0 110.913 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.73 -44.69 95.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.952 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.415 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -59.57 -41.07 89.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.29 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.402 ' O ' ' CG1' ' A' ' 42' ' ' ILE . 18.7 mt -62.18 -40.2 95.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.0 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.1 mt -59.23 -48.71 85.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.662 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.7 tp -72.27 -44.3 63.02 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.062 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -64.44 -36.51 84.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.709 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' A' ' 38' ' ' LEU . 2.8 mm -63.2 -43.52 98.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.58 -40.63 92.44 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.461 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 67.6 t0 . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.519 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 C--O 1.225 -0.228 0 CA-C-O 120.733 0.301 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.04 -41.93 65.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.578 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.46 -42.56 78.39 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.589 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 55.9 m -61.03 -46.15 91.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.499 ' N ' HD12 ' B' ' 32' ' ' ILE . 1.4 mp -67.32 -42.14 87.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.452 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 68.1 mt -58.49 -47.69 87.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.746 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.55 -48.84 34.03 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.456 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.24 -44.55 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.302 . . . . 0.0 110.885 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.76 -44.65 95.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.947 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.433 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -59.63 -41.06 89.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.35 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.415 HD21 ' ND1' ' A' ' 37' ' ' HIS . 18.6 mt -62.22 -40.07 94.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.1 mt -59.19 -48.78 85.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.674 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -72.4 -44.17 62.86 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.042 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -64.39 -36.56 84.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.722 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.39 -43.58 98.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.3 -40.67 91.33 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.452 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' B' B ' 44' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' B' ' 44' ' ' ASP . 67.5 t0 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.423 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 80.1 t . . . . . 0 C--O 1.226 -0.163 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.37 -41.72 63.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.49 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.66 -42.64 79.32 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.537 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 56.8 m -61.03 -46.14 91.94 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.5 ' N ' HD12 ' C' ' 32' ' ' ILE . 1.4 mp -67.04 -42.35 88.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.471 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.43 -47.81 86.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.828 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.43 -48.78 35.21 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.48 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.26 -44.66 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.637 0.256 . . . . 0.0 111.012 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.61 -44.8 95.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.854 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.434 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.7 t60 -59.41 -41.12 88.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.425 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.433 HD21 ' ND1' ' B' ' 37' ' ' HIS . 18.7 mt -62.11 -40.33 95.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.03 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.7 mt -59.13 -48.84 85.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.551 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.9 tp -72.15 -44.55 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.019 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -63.98 -36.76 85.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.804 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.25 -43.57 98.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.804 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.44 -40.63 91.8 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.319 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' C' C ' 44' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' C' ' 44' ' ' ASP . 67.3 t0 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.542 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 81.1 t . . . . . 0 C--O 1.236 0.38 0 CA-C-O 121.099 0.476 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 78.6 t -62.79 -47.34 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.2 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.94 -41.33 64.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.49 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.04 -42.46 80.53 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 53.5 m -61.0 -46.09 92.18 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.516 ' N ' HD12 ' D' ' 32' ' ' ILE . 1.4 mp -67.21 -42.17 87.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.56 -47.45 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.93 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.73 -48.64 33.8 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 120.636 -0.793 . . . . 0.0 111.478 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.38 -44.65 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.682 0.277 . . . . 0.0 110.892 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.74 -44.7 95.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.925 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.407 ' CD2' ' C ' ' D' ' 37' ' ' HIS . 7.5 t60 -59.43 -41.21 89.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.401 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.434 HD21 ' ND1' ' C' ' 37' ' ' HIS . 18.4 mt -62.03 -40.1 94.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.182 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 93.7 mt -59.21 -48.7 85.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.612 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.9 tp -72.45 -44.28 62.58 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.032 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -64.29 -36.67 84.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.78 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.19 -43.9 99.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.847 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 52.7 tp -60.21 -40.52 90.4 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.451 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' D' D ' 44' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 67.6 t0 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.458 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.9 t . . . . . 0 C--O 1.234 0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.33 -44.18 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.364 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.66 -39.81 95.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.483 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.65 -49.91 69.45 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.291 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.7 t -62.32 -42.99 99.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.784 179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.03 -42.36 96.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.739 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.485 HG23 HD11 ' B' ' 38' ' ' LEU . 75.3 mt -61.14 -44.4 98.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.91 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.47 -52.5 39.09 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.377 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.83 -44.37 92.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-O 120.704 0.288 . . . . 0.0 111.298 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.15 -45.88 89.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.887 0.375 . . . . 0.0 110.695 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.621 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.9 t60 -60.15 -40.48 90.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.232 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' D' ' 37' ' ' HIS . 11.1 mt -60.52 -40.07 90.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.171 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.46 -44.81 99.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.0 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.448 ' N ' HD22 ' A' ' 40' ' ' LEU . 4.1 mm? -70.51 -43.49 69.55 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.173 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -69.27 -46.91 66.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.693 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.531 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.1 tt -65.2 -40.79 89.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.194 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.413 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 49.4 tp -62.73 -40.88 98.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.524 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.411 -179.682 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.9 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.935 0.398 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.9 95.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.363 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.48 -50.03 68.72 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.332 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -62.38 -42.91 99.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.797 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.06 -42.37 96.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.72 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.454 HG23 HD11 ' C' ' 38' ' ' LEU . 75.2 mt -61.1 -44.47 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.832 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.61 -52.42 39.21 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.281 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.75 -44.6 93.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.664 0.268 . . . . 0.0 111.158 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.93 -45.98 89.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.708 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.611 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -60.23 -40.39 90.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.265 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.621 HD21 ' ND1' ' A' ' 37' ' ' HIS . 11.1 mt -60.59 -40.02 90.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.38 -44.83 99.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.102 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.439 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.1 mm? -70.56 -43.66 69.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.231 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -68.99 -47.1 66.38 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.635 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.531 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.1 tt -65.04 -40.92 90.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.28 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 49.0 tp -62.77 -40.89 98.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.428 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 68.0 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.369 -179.493 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.931 0.396 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.96 95.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.453 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.13 68.64 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.222 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -62.22 -42.99 99.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.803 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.85 -42.55 96.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.443 HG23 HD11 ' D' ' 38' ' ' LEU . 75.7 mt -61.12 -44.39 98.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.821 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.42 -52.6 38.45 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.353 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.81 -44.51 92.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 120.677 0.275 . . . . 0.0 111.197 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.99 -46.04 89.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.9 0.381 . . . . 0.0 110.75 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -60.12 -40.32 89.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.236 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.611 HD21 ' ND1' ' B' ' 37' ' ' HIS . 11.0 mt -60.59 -40.06 90.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.241 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.33 -45.0 99.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.987 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.45 ' N ' HD22 ' C' ' 40' ' ' LEU . 4.1 mm? -70.46 -43.37 69.98 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.205 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 73.3 t90 -69.29 -47.04 65.72 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 111.709 0.262 . . . . 0.0 111.709 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.537 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.1 tt -65.0 -40.85 90.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.928 0.394 . . . . 0.0 110.303 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.403 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 48.5 tp -62.79 -40.86 98.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.457 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 67.8 t0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.357 -179.466 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.234 0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.36 -44.25 94.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.35 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.92 95.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.457 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.61 -49.94 69.26 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.244 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -62.4 -42.98 99.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.722 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.09 -42.34 96.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.704 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.463 HG23 HD11 ' A' ' 38' ' ' LEU . 75.0 mt -60.97 -44.52 98.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.912 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.52 -52.43 39.49 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.552 -0.832 . . . . 0.0 111.316 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.87 -44.5 92.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.656 0.265 . . . . 0.0 111.212 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.92 -46.02 89.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.809 0.338 . . . . 0.0 110.726 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -60.25 -40.46 90.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.233 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' C' ' 37' ' ' HIS . 11.3 mt -60.41 -40.0 89.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.55 -44.82 99.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.084 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 40' ' ' LEU . . . . . 0.439 HD22 ' N ' ' D' ' 40' ' ' LEU . 4.1 mm? -70.38 -43.57 69.82 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.218 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -69.24 -46.97 66.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.768 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.538 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.1 tt -64.99 -40.92 90.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.919 0.39 . . . . 0.0 110.302 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 49.5 tp -62.68 -40.84 98.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.561 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.356 -179.464 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 81.6 t . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.1 t -66.35 -45.08 90.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.549 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.39 85.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.631 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.66 79.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.872 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.3 p -63.09 -39.97 96.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.809 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.94 -43.32 97.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.623 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 80.8 mt -57.47 -44.27 84.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.786 -178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.6 -46.45 47.26 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.659 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.99 -50.75 78.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 111.196 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.24 -43.07 99.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.234 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -60.28 -40.44 90.42 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.416 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.662 HD21 ' ND1' ' D' ' 37' ' ' HIS . 12.9 mt -61.25 -40.11 92.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.085 -179.318 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.07 -44.87 99.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.284 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt -72.74 -44.16 62.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.04 0.448 . . . . 0.0 110.805 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -65.43 -36.01 82.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.813 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mm -63.65 -44.67 98.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.463 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.0 mt -61.98 -41.14 97.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.575 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.4 t0 . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.555 -179.921 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.809 0.338 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.04 -44.09 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.707 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.81 -47.6 79.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.797 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 78.0 p -63.28 -40.35 97.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.61 -43.68 98.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.413 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 80.4 mt -57.09 -44.51 83.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.855 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.2 -46.51 49.93 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.643 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.16 -50.22 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.841 0.353 . . . . 0.0 111.293 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.8 -42.61 97.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.206 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.644 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.3 t60 -60.72 -40.51 92.62 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.274 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' A' ' 37' ' ' HIS . 12.9 mt -61.04 -40.18 92.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.051 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.25 -44.89 99.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.233 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.87 -44.22 61.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.032 0.444 . . . . 0.0 110.796 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -65.43 -35.56 81.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.72 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mm -63.93 -44.72 98.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.39 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.97 -41.13 97.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 63.9 t0 . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.566 -179.876 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.827 0.346 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.76 -44.15 85.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.709 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.83 -47.83 79.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.82 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -62.93 -40.36 97.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.772 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.59 -43.31 98.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.497 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.62 -44.35 85.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.901 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.42 -46.38 49.01 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.541 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.06 -50.36 79.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.893 0.377 . . . . 0.0 111.346 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.66 -42.65 98.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.125 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.667 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -60.67 -40.29 91.57 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.387 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.644 HD21 ' ND1' ' B' ' 37' ' ' HIS . 12.8 mt -61.37 -39.92 92.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.989 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.41 -45.1 99.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.312 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -72.65 -44.26 62.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.987 0.423 . . . . 0.0 110.723 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -65.27 -35.95 82.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.772 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mm -63.71 -44.63 98.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.464 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.86 -41.21 97.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.65 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 62.7 t0 . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.535 -179.859 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 79.2 t . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.0 t -66.34 -45.16 90.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.586 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.47 -44.65 85.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.574 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.33 -47.95 77.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.807 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 76.7 p -62.9 -40.54 97.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.56 -43.58 98.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.552 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 80.5 mt -57.26 -44.17 83.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.94 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.55 -46.52 47.22 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.694 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.93 -50.57 79.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.872 0.367 . . . . 0.0 111.215 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.49 -42.96 98.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.217 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.662 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -60.27 -40.56 90.81 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.228 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.667 HD21 ' ND1' ' C' ' 37' ' ' HIS . 13.2 mt -61.13 -40.08 92.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.144 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.15 -44.92 99.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.309 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -72.73 -44.15 62.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.186 0.517 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -65.56 -35.64 81.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.806 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mm -63.93 -44.77 98.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.316 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 73.8 mt -61.85 -41.26 97.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 62.8 t0 . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.608 -179.841 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 28' ' ' VAL . 3.2 m . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.184 0.516 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.462 ' N ' HG23 ' A' ' 27' ' ' VAL . 87.9 t -62.17 -44.23 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.249 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -37.39 86.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.225 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.03 -48.3 70.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.597 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 77.1 p -66.05 -40.4 90.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.984 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.11 -42.36 94.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.714 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.8 mt -59.45 -43.89 91.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.573 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.78 -48.19 79.21 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.403 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 4.8 mm -65.99 -48.41 81.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.997 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.9 tp -59.53 -45.42 91.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.057 0.456 . . . . 0.0 111.226 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.526 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.7 t60 -59.22 -37.53 77.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.303 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.38 -41.0 96.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.403 ' CD1' ' O ' ' A' ' 35' ' ' ILE . 1.7 mp -59.62 -45.06 94.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.201 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -72.0 -43.82 64.46 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.231 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 79.6 t90 -67.34 -39.88 85.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.032 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mm -63.34 -43.75 98.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.174 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.55 -39.71 94.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.28 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.9 t0 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.23 -179.455 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 83.5 t . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.799 0.333 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.38 86.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.359 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.9 -47.98 70.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.601 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 78.0 p -66.28 -40.83 90.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.55 -42.45 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.733 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 67.1 mt -59.42 -43.79 91.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.633 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.88 -48.51 75.67 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mm -65.61 -48.57 82.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.97 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.56 -45.03 93.03 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.114 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.429 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 8.2 t60 -59.44 -37.83 79.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.288 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.526 HD21 ' ND1' ' A' ' 37' ' ' HIS . 13.6 mt -61.19 -40.77 95.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.844 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.78 -45.46 94.68 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.163 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.77 -43.89 64.95 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.074 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.425 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 79.2 t90 -67.09 -39.99 86.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.948 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' B' ' 38' ' ' LEU . 4.2 mm -63.42 -43.63 98.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.209 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.54 -39.61 94.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.238 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 62.8 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.236 -179.46 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 81.2 t . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.746 0.308 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.5 85.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.341 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.97 -48.15 70.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.64 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 77.8 p -65.99 -40.61 91.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.927 0.394 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.8 -42.38 94.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.731 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.4 -43.86 91.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.528 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.69 -48.49 76.74 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 4.6 mm -65.71 -48.59 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.928 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -59.4 -45.16 92.25 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.158 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.511 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.7 t60 -59.42 -37.75 78.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.337 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.406 ' O ' ' CG1' ' C' ' 42' ' ' ILE . 13.6 mt -61.34 -40.87 95.85 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.8 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.58 -45.32 94.18 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.143 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.94 -43.88 64.53 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.07 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 79.5 t90 -67.12 -39.97 86.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.082 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' C' ' 38' ' ' LEU . 4.3 mm -63.4 -43.69 98.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.187 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.55 -39.82 94.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.296 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 62.9 t0 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.281 -179.488 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' D' D ' 27' ' ' VAL . . . . . 0.472 HG23 ' N ' ' D' ' 28' ' ' VAL . 3.1 m . . . . . 0 C--O 1.236 0.382 0 CA-C-O 121.129 0.49 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 28' ' ' VAL . . . . . 0.472 ' N ' HG23 ' D' ' 27' ' ' VAL . 84.5 t -61.79 -44.79 99.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.244 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.84 -37.69 85.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.391 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.81 -48.54 69.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 74.1 p -65.54 -40.99 93.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.033 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.61 -42.27 94.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.678 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.54 -43.82 91.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.622 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.05 -47.82 81.7 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.29 -48.4 81.2 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.002 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.79 -44.8 93.77 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.131 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.423 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 8.4 t60 -59.39 -37.91 79.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.275 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.511 HD21 ' ND1' ' C' ' 37' ' ' HIS . 13.6 mt -61.28 -40.65 94.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.818 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.73 -45.32 94.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.16 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 85.9 mt -72.17 -43.8 64.02 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.075 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 79.2 t90 -67.19 -40.12 86.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.979 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.405 ' CG1' ' O ' ' D' ' 38' ' ' LEU . 4.2 mm -63.28 -43.58 98.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.218 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.5 -39.86 94.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.234 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 62.5 t0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.166 -179.465 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.933 0.397 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.59 -45.57 97.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.431 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.86 89.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.462 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.85 -50.29 66.57 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.662 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 62.7 m -61.72 -42.58 99.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.705 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.01 -42.7 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.766 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.85 -44.51 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.842 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.87 -51.5 39.83 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.9 -43.48 96.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.7 0.286 . . . . 0.0 111.048 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.46 -45.86 92.51 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 110.613 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.588 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.2 t60 -61.1 -40.18 92.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.32 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.578 HD21 ' ND1' ' D' ' 37' ' ' HIS . 9.6 mt -60.98 -39.08 88.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.8 mt -60.79 -46.8 95.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 120.061 -0.655 . . . . 0.0 110.056 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 mt -70.15 -44.7 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.333 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 82.2 t90 -66.41 -36.67 83.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.116 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.7 -44.29 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.11 -40.19 92.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.489 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.9 t0 . . . . . 0 C--N 1.331 -0.21 0 CA-C-O 120.863 0.364 . . . . 0.0 110.331 179.893 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.735 0.303 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.78 88.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.01 -50.11 67.36 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.559 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 66.4 m -61.81 -42.57 99.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 110.649 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.88 -42.83 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.772 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.67 -44.75 99.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.801 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.69 -51.41 41.55 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.96 -43.58 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.723 0.297 . . . . 0.0 110.917 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.43 -45.86 92.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.918 0.39 . . . . 0.0 110.659 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.59 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -61.16 -40.27 93.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.282 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.588 HD21 ' ND1' ' A' ' 37' ' ' HIS . 10.0 mt -60.89 -38.97 87.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.97 -46.83 95.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.106 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.5 mt -70.29 -44.62 67.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.315 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 81.9 t90 -66.33 -36.81 83.86 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.018 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.62 -44.19 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.28 -40.22 93.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.376 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 110.31 179.837 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 99.2 t . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.731 0.301 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.76 88.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.488 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.0 -50.15 67.24 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.717 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 66.2 m -61.79 -42.61 99.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.625 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.04 -42.65 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.754 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.81 -44.64 99.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.808 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.72 -51.41 41.37 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.323 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.96 -43.55 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.727 0.299 . . . . 0.0 110.934 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.49 -45.71 93.1 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.935 0.397 . . . . 0.0 110.68 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.591 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.2 t60 -61.29 -40.12 92.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.237 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.59 HD21 ' ND1' ' B' ' 37' ' ' HIS . 10.0 mt -60.95 -39.11 88.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.0 mt -60.77 -46.82 95.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.102 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.8 mt -70.23 -44.52 68.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.288 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.427 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 82.5 t90 -66.47 -36.77 83.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.167 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.62 -44.19 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 78.2 mt -61.1 -40.42 93.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.468 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 65.2 t0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 110.24 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.909 0.385 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.27 -45.57 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.361 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.78 88.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.514 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.94 -50.14 67.12 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.642 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 62.5 m -61.77 -42.59 99.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.844 0.354 . . . . 0.0 110.729 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.02 -42.67 96.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.669 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.73 -44.74 99.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.821 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.76 -51.4 41.2 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.93 -43.57 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.665 0.269 . . . . 0.0 111.001 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.38 -45.85 92.65 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.909 0.385 . . . . 0.0 110.65 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.578 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -61.24 -40.24 93.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.31 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.591 HD21 ' ND1' ' C' ' 37' ' ' HIS . 9.9 mt -60.82 -39.04 87.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.791 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.76 -46.89 95.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.154 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.6 mt -70.19 -44.81 67.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.33 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 82.3 t90 -66.19 -36.75 83.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.058 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.59 -44.33 98.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.17 -40.27 93.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.333 . . . . 0.0 110.251 179.863 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.937 0.399 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.21 -44.26 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.421 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -40.81 93.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.542 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.14 -49.14 72.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.726 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.8 m -61.82 -42.39 98.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.788 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.28 -42.24 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.727 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.552 HG23 HD11 ' B' ' 38' ' ' LEU . 79.5 mt -60.06 -42.61 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.52 -53.8 42.48 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.232 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.2 mm -67.68 -44.84 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.745 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.76 -45.31 94.43 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.933 0.397 . . . . 0.0 110.929 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.513 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -64.76 -40.81 95.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.469 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.595 HD11 HG23 ' D' ' 33' ' ' ILE . 13.9 mt -61.64 -41.52 97.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.81 -48.18 86.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.491 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.2 mt -70.99 -42.78 69.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.94 0.4 . . . . 0.0 111.104 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -66.89 -35.43 80.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.021 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.11 -43.95 99.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.853 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -61.79 -43.09 99.53 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.157 0.504 . . . . 0.0 110.278 -178.399 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 62.8 t0 . . . . . 0 C--N 1.319 -0.725 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.632 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.04 93.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.491 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.77 -49.31 71.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.671 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.0 m -61.7 -42.52 99.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.29 -42.27 95.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.657 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.592 HG23 HD11 ' C' ' 38' ' ' LEU . 80.8 mt -60.05 -42.84 91.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.628 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.29 -53.22 47.43 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.175 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 35.9 mm -68.06 -44.8 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.817 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.94 -45.18 94.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.696 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -64.66 -40.77 96.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.437 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.552 HD11 HG23 ' A' ' 33' ' ' ILE . 13.9 mt -61.87 -41.42 97.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.169 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.0 -48.03 87.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.498 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -71.11 -43.06 68.43 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.968 0.413 . . . . 0.0 111.055 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -66.79 -35.46 80.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.84 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.0 -43.97 99.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.868 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.553 HD13 ' O ' ' B' ' 43' ' ' LEU . 0.2 OUTLIER -61.72 -42.96 99.64 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.335 -178.476 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' B' B ' 44' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' B' ' 44' ' ' ASP . 63.9 t0 . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.67 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 88.2 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.838 0.351 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.68 94.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.506 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.35 -48.97 73.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.659 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 56.5 m -61.9 -42.48 99.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.763 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.17 -42.16 95.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.644 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.569 HG23 HD11 ' D' ' 38' ' ' LEU . 80.7 mt -60.25 -42.8 91.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.558 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.4 -53.57 44.44 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.104 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 36.1 mm -67.76 -45.3 84.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.3 -45.21 95.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -64.78 -40.67 95.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.441 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.696 HD21 ' ND1' ' B' ' 37' ' ' HIS . 13.9 mt -61.83 -41.37 97.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.226 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 80.9 mt -59.06 -47.52 89.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.407 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.65 -43.15 66.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.984 0.421 . . . . 0.0 111.13 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -66.54 -35.49 80.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.824 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.0 -44.22 99.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.861 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.564 HD13 ' O ' ' C' ' 43' ' ' LEU . 0.2 OUTLIER -61.46 -43.52 98.73 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.296 -0.561 . . . . 0.0 110.288 -178.351 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' C' C ' 44' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' C' ' 44' ' ' ASP . 63.7 t0 . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.634 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.978 0.418 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 90.5 t -63.88 -44.43 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.459 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.97 93.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.588 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.08 -49.04 72.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.667 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 58.5 m -61.73 -42.48 99.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.797 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.22 -42.09 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.719 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.595 HG23 HD11 ' A' ' 38' ' ' LEU . 80.3 mt -60.24 -42.81 91.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.59 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.54 -53.5 44.92 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 35.8 mm -67.81 -45.05 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.756 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.8 -45.13 95.18 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.923 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.553 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -64.68 -40.81 96.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.315 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.592 HD21 ' ND1' ' C' ' 37' ' ' HIS . 13.8 mt -61.66 -41.6 97.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.275 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 80.7 mt -58.96 -47.76 88.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.389 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.22 -42.85 68.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.973 0.416 . . . . 0.0 111.055 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -67.1 -35.24 79.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.031 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.12 -43.95 99.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.958 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.562 ' O ' HD13 ' D' ' 43' ' ' LEU . 0.2 OUTLIER -61.73 -43.02 99.67 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.222 0.534 . . . . 0.0 110.294 -178.377 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' D' D ' 44' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 63.0 t0 . . . . . 0 C--N 1.32 -0.679 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.613 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.234 0.272 0 CA-C-O 120.996 0.427 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.72 -43.86 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.019 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.19 78.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.288 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.28 78.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.8 m -61.66 -39.95 93.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.921 0.391 . . . . 0.0 110.72 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.07 -41.74 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.674 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.545 HG23 HD11 ' B' ' 38' ' ' LEU . 86.6 mt -60.44 -43.16 93.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.605 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -51.58 58.06 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.027 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.2 mm -68.3 -44.74 83.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 O-C-N 122.734 -0.274 . . . . 0.0 111.184 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.16 -47.26 85.3 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.895 0.379 . . . . 0.0 110.603 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.543 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.4 t60 -60.79 -40.61 93.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.098 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.65 HD21 ' ND1' ' D' ' 37' ' ' HIS . 13.2 mt -61.1 -40.25 93.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.355 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.3 -48.68 87.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.356 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 40' ' ' LEU . 11.3 mp -67.07 -43.64 82.13 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.25 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -67.84 -37.15 81.52 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.574 0.226 . . . . 0.0 111.223 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.31 -45.39 98.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.57 -37.76 88.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.431 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 C--N 1.33 -0.276 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.298 -179.82 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.0 t . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.856 0.36 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.21 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.39 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.34 -48.67 76.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.42 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 29.5 m -61.72 -40.04 93.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.01 -41.71 93.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.558 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.554 HG23 HD11 ' C' ' 38' ' ' LEU . 86.7 mt -60.45 -43.19 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.561 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -51.57 58.12 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.012 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mm -68.34 -44.7 83.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.17 -47.32 85.03 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.985 0.421 . . . . 0.0 110.592 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.557 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.6 t60 -60.75 -40.5 92.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.229 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.545 HD11 HG23 ' A' ' 33' ' ' ILE . 13.5 mt -61.13 -40.3 93.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.397 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.26 -48.69 87.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.323 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 40' ' ' LEU . . . . . 0.46 HD12 ' N ' ' B' ' 40' ' ' LEU . 11.3 mp -66.94 -43.66 82.62 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.286 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -67.95 -36.97 81.0 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.382 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.33 -45.35 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.56 -37.84 88.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.356 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 C--N 1.329 -0.307 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.274 -179.712 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.9 t . . . . . 0 N--CA 1.456 -0.161 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.24 -36.97 78.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.32 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.58 77.15 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.328 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 36.1 m -61.47 -40.14 93.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.1 -41.78 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.624 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.542 HG23 HD11 ' D' ' 38' ' ' LEU . 88.2 mt -60.41 -43.2 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.668 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.08 -51.53 58.33 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.008 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 41.1 mm -68.4 -44.62 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.146 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.23 -47.25 85.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.906 0.384 . . . . 0.0 110.639 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.533 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.6 t60 -60.73 -40.59 92.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.318 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.557 HD21 ' ND1' ' B' ' 37' ' ' HIS . 13.5 mt -61.14 -40.15 92.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.355 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.31 -48.74 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.396 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 40' ' ' LEU . . . . . 0.451 HD12 ' N ' ' C' ' 40' ' ' LEU . 11.3 mp -67.0 -43.53 82.66 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.21 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -67.94 -37.18 81.3 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.635 0.255 . . . . 0.0 111.311 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.15 -45.49 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.61 -37.7 88.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.357 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 30.4 t70 . . . . . 0 C--N 1.328 -0.328 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.26 -179.75 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.235 0.308 0 CA-C-O 121.024 0.44 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.77 -43.92 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.178 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -37.22 79.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.125 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.46 -48.71 76.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 34.1 m -61.54 -39.98 93.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.684 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.04 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.713 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.486 HG23 HD11 ' A' ' 38' ' ' LEU . 87.9 mt -60.66 -43.01 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.503 -179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.02 -51.69 57.35 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 41.7 mm -68.3 -44.67 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 O-C-N 122.755 -0.262 . . . . 0.0 111.135 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.23 -47.24 85.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 110.568 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.65 ' ND1' HD21 ' A' ' 38' ' ' LEU . 9.0 t60 -60.83 -40.5 93.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.259 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.542 HD11 HG23 ' C' ' 33' ' ' ILE . 13.4 mt -61.15 -40.33 93.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.316 -179.046 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.26 -48.74 87.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.35 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 40' ' ' LEU . . . . . 0.453 ' N ' HD12 ' D' ' 40' ' ' LEU . 11.3 mp -67.01 -43.57 82.52 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.671 -0.411 . . . . 0.0 111.26 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -67.93 -37.09 81.21 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.258 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.32 -45.46 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.44 -37.84 88.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.45 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 C--N 1.33 -0.269 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.337 -179.787 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.2 t . . . . . 0 C--O 1.234 0.273 0 CA-C-O 121.068 0.461 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.51 -45.51 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.554 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.35 -39.13 82.22 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.523 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.13 -51.05 69.34 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.469 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -62.94 -37.88 88.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.97 -43.0 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.474 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.595 HG23 HD11 ' B' ' 38' ' ' LEU . 81.1 mt -59.7 -44.76 94.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.468 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.37 -43.63 96.55 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.325 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.3 mt -69.48 -52.46 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.85 -42.72 97.51 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.116 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.545 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -59.94 -41.39 91.74 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.662 HD11 HG23 ' D' ' 33' ' ' ILE . 14.6 mt -61.72 -39.44 91.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.28 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.95 -48.85 86.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.423 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.51 -43.43 69.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.862 0.363 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -65.84 -36.98 84.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -62.24 -44.32 98.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.12 -39.86 91.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.568 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.425 179.809 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 120.862 0.363 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.45 82.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.472 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.88 -51.15 68.57 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.406 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 20.9 m -62.99 -37.77 88.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.02 -43.19 98.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.409 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.651 HG23 HD11 ' C' ' 38' ' ' LEU . 81.7 mt -59.48 -44.77 93.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.679 -179.341 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.54 -43.39 96.64 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.449 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.2 mt -69.49 -52.36 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.98 -42.73 97.15 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.15 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.572 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -59.81 -41.29 90.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.084 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.595 HD11 HG23 ' A' ' 33' ' ' ILE . 14.5 mt -61.89 -39.51 92.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.246 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.82 -48.97 85.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.374 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.3 mt -70.5 -43.49 69.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -65.82 -36.83 84.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mm -62.24 -44.49 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 75.3 mt -61.09 -39.87 91.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.483 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 64.5 t0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.848 0.356 . . . . 0.0 110.517 179.814 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.5 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.861 0.363 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.43 83.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.471 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.83 -51.37 67.71 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.287 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -62.91 -37.75 88.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.612 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.05 -43.08 98.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.42 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.605 HG23 HD11 ' D' ' 38' ' ' LEU . 81.3 mt -59.69 -44.69 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.531 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.4 -43.58 96.57 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 120.474 -0.869 . . . . 0.0 111.375 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 94.7 mt -69.46 -52.32 33.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.02 -42.77 97.02 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.018 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.565 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.8 t60 -59.74 -41.38 90.83 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.097 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.651 HD11 HG23 ' B' ' 33' ' ' ILE . 14.7 mt -61.84 -39.45 91.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.9 -48.86 86.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.431 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.47 -43.52 69.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.988 0.423 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -65.95 -36.74 84.18 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mm -62.31 -44.41 99.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 75.3 mt -61.07 -39.89 91.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.498 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.402 . . . . 0.0 110.453 179.856 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 73.9 t . . . . . 0 C--O 1.234 0.258 0 CA-C-O 120.975 0.417 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 96.5 t -65.32 -45.68 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.492 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.04 -39.35 81.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.516 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.0 -51.24 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.356 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 21.0 m -62.96 -37.91 89.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.565 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.93 -43.07 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.45 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.662 HG23 HD11 ' A' ' 38' ' ' LEU . 80.4 mt -59.55 -44.74 93.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.71 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.57 -43.55 96.36 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 120.479 -0.867 . . . . 0.0 111.273 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 94.6 mt -69.46 -52.34 33.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.03 -42.61 97.05 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.056 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.603 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.9 t60 -60.01 -41.28 91.8 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.982 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.605 HD11 HG23 ' C' ' 33' ' ' ILE . 14.5 mt -61.79 -39.54 92.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.84 -49.01 85.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.37 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.48 -43.46 69.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -65.81 -36.9 84.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mm -62.2 -44.4 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.09 -39.94 91.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.484 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 64.2 t0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 110.414 179.901 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.92 0.39 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.4 t -63.53 -44.94 98.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.499 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.97 89.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.494 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.39 -48.6 74.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.67 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.5 p -64.72 -40.15 94.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.774 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.93 -42.86 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.2 mt -61.04 -44.35 98.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.735 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.65 -51.82 33.69 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.408 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.42 -44.59 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.729 0.299 . . . . 0.0 110.881 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.5 -44.67 95.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.963 0.411 . . . . 0.0 110.963 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.638 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.7 t60 -62.14 -40.06 94.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.406 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.661 HD21 ' ND1' ' D' ' 37' ' ' HIS . 13.5 mt -61.64 -38.87 89.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.17 -44.31 98.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.388 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.38 -41.37 61.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.108 0.48 . . . . 0.0 111.189 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -70.27 -46.21 64.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.896 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 38' ' ' LEU . 10.8 tp -61.47 -38.58 80.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.306 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.08 -39.88 93.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.227 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.9 t0 . . . . . 0 C--N 1.322 -0.606 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.533 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.2 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.749 0.309 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.76 91.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.483 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.65 -48.64 74.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.621 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 71.9 p -64.61 -40.29 95.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.739 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.404 ' O ' ' CB ' ' B' ' 36' ' ' LEU . 95.9 mt -64.76 -42.98 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.603 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 70.3 mt -60.95 -44.35 97.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.856 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.42 -52.06 33.31 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.472 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.13 -44.7 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.31 . . . . 0.0 110.841 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.404 ' CB ' ' O ' ' B' ' 32' ' ' ILE . 56.9 tp -62.44 -44.88 95.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.962 0.411 . . . . 0.0 110.946 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.622 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -61.88 -40.23 94.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.372 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.638 HD21 ' ND1' ' A' ' 37' ' ' HIS . 13.7 mt -61.48 -38.81 88.62 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.057 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.1 -44.32 98.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 120.186 -0.606 . . . . 0.0 110.278 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.31 -41.36 61.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.147 0.498 . . . . 0.0 111.291 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -70.34 -46.32 64.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.855 -179.116 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.557 HG22 ' O ' ' B' ' 38' ' ' LEU . 10.6 tp -61.26 -38.78 80.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.379 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.9 -39.95 93.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.248 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 42.5 t0 . . . . . 0 C--N 1.324 -0.525 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.506 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.746 0.308 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.74 -40.68 93.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.491 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.79 -48.94 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.633 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 73.0 p -64.35 -40.44 95.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.794 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.405 ' O ' ' CB ' ' C' ' 36' ' ' LEU . 96.3 mt -64.67 -42.9 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.646 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.01 -44.26 97.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.788 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.6 -51.84 33.82 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.408 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.48 -44.52 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.7 0.286 . . . . 0.0 110.786 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' C' ' 32' ' ' ILE . 56.4 tp -62.57 -44.81 95.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.995 0.426 . . . . 0.0 111.056 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.661 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -62.12 -39.93 94.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.317 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.622 HD21 ' ND1' ' B' ' 37' ' ' HIS . 13.5 mt -61.67 -38.78 89.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.995 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.33 -44.25 98.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.299 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.0 mt -74.44 -41.62 60.54 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.159 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -69.87 -46.51 65.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.876 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.567 HG22 ' O ' ' C' ' 38' ' ' LEU . 10.7 tp -61.47 -38.34 79.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.33 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 28.1 mt -62.24 -39.74 93.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.147 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 43.2 t0 . . . . . 0 C--N 1.321 -0.643 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.555 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.907 0.384 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.0 -44.88 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.42 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.39 91.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.53 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.96 -49.15 72.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.705 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 74.3 p -64.26 -40.2 95.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.725 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.404 ' O ' ' CB ' ' D' ' 36' ' ' LEU . 96.1 mt -64.83 -42.86 96.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.658 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 71.0 mt -60.98 -44.58 98.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.77 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.19 -52.05 34.45 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.299 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.43 -44.48 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.94 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 36' ' ' LEU . . . . . 0.404 ' CB ' ' O ' ' D' ' 32' ' ' ILE . 57.4 tp -62.47 -44.59 96.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.064 0.459 . . . . 0.0 111.034 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.661 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.6 t60 -62.43 -39.78 94.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.373 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.661 HD21 ' ND1' ' C' ' 37' ' ' HIS . 13.4 mt -61.84 -38.93 90.03 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.886 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.06 -44.31 98.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.339 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 94.0 mt -74.38 -41.23 61.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.102 0.477 . . . . 0.0 111.256 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -70.34 -46.49 64.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.827 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.566 HG22 ' O ' ' D' ' 38' ' ' LEU . 10.8 tp -61.32 -38.51 80.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.246 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 29.2 mt -62.12 -39.96 94.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.239 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 43.3 t0 . . . . . 0 C--N 1.324 -0.502 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.535 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.0 t . . . . . 0 C--O 1.234 0.276 0 CA-C-O 121.027 0.441 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.2 t -65.49 -43.86 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.253 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.49 -38.7 90.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.579 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.67 -49.89 71.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.559 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.1 m -62.59 -41.78 99.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.769 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.58 -42.4 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.546 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.541 HG23 HD11 ' B' ' 38' ' ' LEU . 70.7 mt -61.24 -43.94 97.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.753 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.78 -53.5 37.5 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 120.638 -0.792 . . . . 0.0 111.207 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.92 -44.44 92.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.837 0.351 . . . . 0.0 110.949 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.07 -44.74 96.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.008 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.694 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -63.5 -39.29 94.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.293 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.629 ' O ' HG22 ' A' ' 42' ' ' ILE . 11.7 mt -61.54 -39.75 92.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.178 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.02 -44.22 98.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.364 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.1 mt -73.31 -42.8 61.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.028 0.442 . . . . 0.0 110.987 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -69.11 -48.17 63.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.769 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.9 tt -61.76 -35.79 69.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.936 0.398 . . . . 0.0 110.077 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.66 -43.01 99.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.345 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.713 -179.803 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.83 0.348 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.64 90.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.484 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.68 -49.97 71.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.584 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 51.9 m -62.51 -41.79 99.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.763 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.55 -42.36 95.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.54 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.52 HG23 HD11 ' C' ' 38' ' ' LEU . 69.2 mt -61.2 -44.25 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.768 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.42 -53.52 38.56 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 120.538 -0.839 . . . . 0.0 111.267 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.88 -44.49 92.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.02 -44.6 96.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.662 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -63.81 -39.18 93.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.358 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.694 HD21 ' ND1' ' A' ' 37' ' ' HIS . 11.3 mt -61.49 -39.73 91.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.123 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.96 -44.28 98.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.409 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.6 mt -73.48 -42.66 61.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.986 0.422 . . . . 0.0 111.043 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -69.07 -47.9 64.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.796 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.638 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.6 tt -62.37 -35.6 70.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.886 0.374 . . . . 0.0 110.067 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 45.4 tp -61.78 -42.94 99.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.207 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.772 -179.762 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.911 0.386 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.24 92.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.508 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.0 -50.24 69.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.632 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 55.0 m -62.21 -42.02 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.744 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.42 -42.51 96.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.496 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.523 HG23 HD11 ' D' ' 38' ' ' LEU . 71.4 mt -60.91 -44.07 97.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.793 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.73 -53.68 36.41 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.183 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.8 -44.41 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.14 -44.99 95.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.666 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.8 t60 -63.35 -39.12 93.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.328 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.662 HD21 ' ND1' ' B' ' 37' ' ' HIS . 11.6 mt -61.49 -39.91 92.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.26 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.86 -44.22 98.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.415 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 50.8 mt -73.48 -42.83 61.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.026 0.441 . . . . 0.0 111.06 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -68.83 -48.03 64.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.791 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.64 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.8 tt -62.16 -35.59 69.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.042 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.91 -42.84 99.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.243 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.751 -179.802 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.972 0.415 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.6 -43.86 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.275 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.6 90.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.52 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.57 -50.22 70.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.573 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 51.6 m -62.35 -41.71 98.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.808 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.59 -42.36 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.479 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.508 HG23 HD11 ' A' ' 38' ' ' LEU . 69.6 mt -61.23 -44.07 97.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.79 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.56 -53.58 37.7 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.3 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.86 -44.6 92.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.01 -44.76 96.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.61 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.8 t60 -63.49 -39.32 94.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.273 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.666 HD21 ' ND1' ' C' ' 37' ' ' HIS . 11.4 mt -61.47 -39.87 92.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.091 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 94.9 mt -61.93 -44.3 98.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.433 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 51.3 mt -73.24 -42.52 62.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.009 0.433 . . . . 0.0 111.005 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -69.12 -48.52 62.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.818 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.636 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.8 tt -61.72 -35.53 68.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.028 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 45.4 tp -61.97 -43.0 99.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.257 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.701 -179.769 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.0 t . . . . . 0 C--O 1.235 0.315 0 CA-C-O 121.082 0.468 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 29' ' ' ALA . 28.3 m -66.55 -43.06 90.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.083 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.466 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -56.51 -40.99 75.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.011 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.25 -43.24 82.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.54 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.1 m -60.24 -46.02 91.22 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.78 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.452 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 1.2 mp -67.03 -41.32 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.767 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.15 -45.04 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.919 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.06 -50.97 36.53 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.372 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.39 -43.2 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.64 0.257 . . . . 0.0 111.485 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.91 -43.7 98.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.758 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.573 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.1 t60 -62.11 -41.87 98.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.871 0.367 . . . . 0.0 110.543 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.578 HD21 ' ND1' ' D' ' 37' ' ' HIS . 9.1 mt -61.82 -39.98 93.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.358 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.3 -45.1 99.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.476 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.24 -44.43 65.33 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.512 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.418 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 65.3 t90 -68.92 -46.28 68.68 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.975 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.476 HG22 ' O ' ' A' ' 38' ' ' LEU . 3.8 tp -64.02 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 43.9 tp -64.67 -39.36 93.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.284 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.5 t0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.294 -179.567 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.461 HG23 ' N ' ' B' ' 29' ' ' ALA . 28.2 m . . . . . 0 CA--C 1.517 -0.298 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.461 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -56.63 -40.86 76.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.081 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.27 -43.28 82.94 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.494 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -60.32 -46.01 91.4 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.448 ' N ' ' CD1' ' B' ' 32' ' ' ILE . 1.2 mp -66.9 -41.47 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.722 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 71.8 mt -60.0 -45.12 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.906 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.07 -51.0 36.23 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.322 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.29 -43.16 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.553 0.216 . . . . 0.0 111.576 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.78 -43.74 98.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.813 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.583 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.1 t60 -62.07 -42.0 98.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.483 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.573 HD21 ' ND1' ' A' ' 37' ' ' HIS . 8.9 mt -61.82 -39.9 93.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.351 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.39 -45.02 99.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.411 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.32 -44.55 64.92 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.839 -0.345 . . . . 0.0 111.387 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 65.3 t90 -68.91 -46.29 68.69 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.933 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.47 HG22 ' O ' ' B' ' 38' ' ' LEU . 3.9 tp -63.97 -40.67 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.411 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 43.9 tp -64.75 -39.32 93.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.207 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 42.7 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.239 -179.47 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.459 HG23 ' N ' ' C' ' 29' ' ' ALA . 28.3 m . . . . . 0 CA--C 1.517 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.065 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.459 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -56.58 -40.95 76.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.986 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.25 -43.26 82.79 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.452 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 70.7 m -60.3 -46.02 91.34 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.83 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.456 ' CD1' ' N ' ' C' ' 32' ' ' ILE . 1.2 mp -67.09 -41.32 86.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.692 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.03 -45.16 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.869 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.12 -50.99 36.02 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.304 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.24 -43.22 95.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.592 0.235 . . . . 0.0 111.538 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.83 -43.83 98.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.77 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.588 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -62.02 -41.98 98.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.446 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.583 HD21 ' ND1' ' B' ' 37' ' ' HIS . 8.8 mt -61.86 -39.9 93.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.354 -179.104 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.36 -44.93 99.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.514 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.43 -44.55 64.63 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.434 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 65.0 t90 -68.86 -46.28 68.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.87 -179.035 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.482 HG22 ' O ' ' C' ' 38' ' ' LEU . 3.8 tp -63.93 -40.75 90.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 43.8 tp -64.72 -39.36 93.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.177 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 42.5 t0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.223 -179.548 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 88.8 t . . . . . 0 C--O 1.235 0.321 0 CA-C-O 120.961 0.41 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' D' D ' 28' ' ' VAL . . . . . 0.455 HG23 ' N ' ' D' ' 29' ' ' ALA . 28.2 m -66.63 -42.97 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.071 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.455 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -56.62 -40.87 76.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.985 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.43 82.77 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.45 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 69.9 m -60.18 -46.12 90.8 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.759 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.446 ' N ' ' CD1' ' D' ' 32' ' ' ILE . 1.2 mp -66.94 -41.34 87.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.759 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.03 -45.16 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.914 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.1 -51.0 36.09 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.341 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.21 -43.19 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.684 0.278 . . . . 0.0 111.596 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.86 -43.86 98.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.715 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.578 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -61.97 -42.0 98.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.0 0.428 . . . . 0.0 110.501 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.588 HD21 ' ND1' ' C' ' 37' ' ' HIS . 8.9 mt -61.81 -39.95 93.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.384 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.33 -45.01 99.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.434 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.34 -44.53 64.89 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.472 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.415 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 65.1 t90 -68.76 -46.5 68.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.889 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.484 HG22 ' O ' ' D' ' 38' ' ' LEU . 3.9 tp -63.85 -40.78 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 43.1 tp -64.7 -39.4 93.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.176 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 42.4 t0 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.328 -179.559 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 27' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 28' ' ' VAL . 4.6 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.909 0.385 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.449 ' N ' HG23 ' A' ' 27' ' ' VAL . 84.7 t -61.02 -44.41 98.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.304 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.2 87.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.15 -47.74 74.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.9 m -61.0 -42.47 98.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.493 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.89 -42.26 95.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.438 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.527 HG23 HD11 ' B' ' 38' ' ' LEU . 80.7 mt -61.36 -44.18 98.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.72 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.63 -52.42 48.89 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.202 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.02 -44.64 92.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.59 -46.61 87.52 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.149 0.499 . . . . 0.0 110.946 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.542 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.3 t60 -59.76 -40.41 88.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.194 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.513 HD11 HG23 ' D' ' 33' ' ' ILE . 14.6 mt -61.67 -39.79 92.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ILE . . . . . 0.48 ' O ' HD13 ' A' ' 43' ' ' LEU . 93.7 mt -59.0 -49.27 83.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.219 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -69.57 -42.83 73.98 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.619 -0.433 . . . . 0.0 111.668 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -67.22 -39.81 86.29 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.34 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 52.4 mt -62.75 -45.99 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.557 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 39' ' ' ILE . 8.6 mp -65.74 -37.63 86.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.477 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.0 t0 . . . . . 0 C--N 1.328 -0.336 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.311 -179.517 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.783 0.325 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.08 87.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.15 -47.8 74.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.465 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 62.3 m -60.91 -42.63 98.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.561 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.75 -42.35 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.48 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.538 HG23 HD11 ' C' ' 38' ' ' LEU . 79.4 mt -61.25 -44.23 98.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.823 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.6 -52.3 49.82 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.084 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.28 -44.49 91.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.117 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.78 -46.43 88.03 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.024 0.44 . . . . 0.0 110.882 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.505 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.1 t60 -59.73 -40.59 88.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.118 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.542 HD21 ' ND1' ' A' ' 37' ' ' HIS . 14.5 mt -61.5 -39.9 92.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 39' ' ' ILE . . . . . 0.468 ' O ' HD13 ' B' ' 43' ' ' LEU . 94.7 mt -58.79 -49.36 83.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.215 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 mt -69.78 -42.84 73.27 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.521 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -67.0 -39.89 87.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.416 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 52.1 mt -62.78 -46.14 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.467 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.468 HD13 ' O ' ' B' ' 39' ' ' ILE . 8.6 mp -65.72 -37.45 86.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.456 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 . . . . . 0 C--N 1.328 -0.338 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.095 -179.208 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 86.6 t . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.822 0.344 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -37.97 86.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.394 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.92 74.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.499 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 61.7 m -60.9 -42.53 98.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.553 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.8 -42.3 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.43 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.523 HG23 HD11 ' D' ' 38' ' ' LEU . 79.7 mt -61.44 -44.06 97.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.733 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.63 -52.44 48.75 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.06 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.06 -44.59 91.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.216 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.71 -46.56 87.57 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.082 0.467 . . . . 0.0 110.823 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.485 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.3 t60 -59.8 -40.36 88.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.21 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.538 HD11 HG23 ' B' ' 33' ' ' ILE . 14.5 mt -61.66 -39.75 92.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 39' ' ' ILE . . . . . 0.482 ' O ' HD13 ' C' ' 43' ' ' LEU . 93.9 mt -58.93 -49.26 83.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.19 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.2 mt -69.6 -42.95 73.75 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.549 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -67.11 -39.92 86.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.481 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 52.6 mt -62.67 -46.2 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 121.091 -0.243 . . . . 0.0 110.485 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.482 HD13 ' O ' ' C' ' 39' ' ' ILE . 8.6 mp -65.59 -37.6 87.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.537 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 67.1 t0 . . . . . 0 C--N 1.329 -0.325 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.163 -179.495 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' D' D ' 27' ' ' VAL . . . . . 0.434 HG23 ' N ' ' D' ' 28' ' ' VAL . 4.4 m . . . . . 0 C--O 1.233 0.228 0 CA-C-O 121.027 0.441 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 28' ' ' VAL . . . . . 0.434 ' N ' HG23 ' D' ' 27' ' ' VAL . 85.5 t -60.96 -44.49 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.391 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.2 87.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.75 74.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.428 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 62.2 m -60.88 -42.59 98.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.486 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.79 -42.39 95.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.513 HG23 HD11 ' A' ' 38' ' ' LEU . 81.0 mt -61.27 -44.21 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.69 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.59 -52.34 49.55 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.409 -0.901 . . . . 0.0 111.117 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.13 -44.58 91.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.684 0.278 . . . . 0.0 111.204 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.73 -46.46 88.0 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.079 0.466 . . . . 0.0 110.859 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.472 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.1 t60 -59.69 -40.67 88.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.137 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.523 HD11 HG23 ' C' ' 33' ' ' ILE . 14.6 mt -61.54 -39.84 92.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 39' ' ' ILE . . . . . 0.477 ' O ' HD13 ' D' ' 43' ' ' LEU . 94.1 mt -58.84 -49.29 83.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.178 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 mt -69.64 -42.91 73.65 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.557 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -66.97 -39.93 87.34 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.558 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 53.7 mt -62.72 -45.93 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.596 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.477 HD13 ' O ' ' D' ' 39' ' ' ILE . 8.6 mp -65.8 -37.62 86.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.46 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 . . . . . 0 C--N 1.328 -0.345 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.26 -179.436 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.5 t . . . . . 0 C--O 1.234 0.241 0 CA-C-O 121.048 0.451 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.6 t -63.76 -44.48 98.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.492 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.74 95.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.647 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.87 -50.21 66.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.575 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -62.65 -43.03 99.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.753 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.503 HG22 HD12 ' A' ' 36' ' ' LEU . 91.1 mt -62.09 -41.71 92.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.859 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.65 -43.12 86.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.7 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -49.79 74.74 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.272 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.3 mm -63.62 -47.82 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.668 0.27 . . . . 0.0 111.146 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.503 HD12 HG22 ' A' ' 32' ' ' ILE . 44.4 mt -61.93 -43.62 98.47 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.137 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -65.34 -41.97 93.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.741 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.511 ' O ' HG22 ' A' ' 42' ' ' ILE . 2.4 mt -62.07 -40.53 96.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -61.55 -44.52 98.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.482 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.1 mt -74.35 -41.85 60.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.014 0.435 . . . . 0.0 111.184 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -68.28 -46.51 70.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.895 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 38' ' ' LEU . 18.6 tt -61.53 -38.6 80.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.219 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.622 ' O ' HD23 ' A' ' 43' ' ' LEU . 1.5 tt -61.76 -41.36 97.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.196 0.522 . . . . 0.0 109.966 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.486 -179.534 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 74.2 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.781 0.325 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.68 96.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.521 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.78 -50.25 66.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.911 0.386 . . . . 0.0 110.658 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -62.78 -42.98 99.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.733 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.519 HG22 HD12 ' B' ' 36' ' ' LEU . 90.2 mt -62.1 -41.93 93.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 68.5 mt -58.27 -43.3 85.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.783 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.89 -49.91 73.46 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.222 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 43.2 mm -63.58 -47.6 90.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.189 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.519 HD12 HG22 ' B' ' 32' ' ' ILE . 44.1 mt -62.01 -43.76 98.14 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.141 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -65.32 -41.93 93.5 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.822 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.523 ' O ' HG22 ' B' ' 42' ' ' ILE . 2.4 mt -62.17 -40.49 96.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.741 -179.344 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.45 -44.63 98.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.519 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 58.5 mt -74.2 -41.87 60.71 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.022 0.439 . . . . 0.0 111.11 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -68.34 -46.45 70.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.938 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.523 HG22 ' O ' ' B' ' 38' ' ' LEU . 18.6 tt -61.54 -38.38 80.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.21 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.622 HD23 ' O ' ' B' ' 43' ' ' LEU . 1.5 tt -61.95 -41.46 98.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.18 0.514 . . . . 0.0 109.922 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.461 -179.442 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 71.0 t . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.854 0.359 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.71 95.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.595 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.82 -50.13 66.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.633 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -62.91 -42.9 99.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.788 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.513 HG22 HD12 ' C' ' 36' ' ' LEU . 91.5 mt -62.05 -41.82 92.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.797 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 68.6 mt -58.45 -43.24 86.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.662 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -49.81 74.53 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 120.581 -0.818 . . . . 0.0 111.244 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 43.8 mm -63.7 -47.59 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.218 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.513 HD12 HG22 ' C' ' 32' ' ' ILE . 44.0 mt -62.02 -43.55 98.59 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.12 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -65.47 -41.87 92.86 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.764 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.531 ' O ' HG22 ' C' ' 42' ' ' ILE . 2.3 mt -62.34 -40.29 95.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 79.0 mt -61.61 -44.58 98.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.523 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 59.7 mt -74.2 -42.01 60.49 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.952 0.406 . . . . 0.0 111.094 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -68.27 -46.69 69.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.848 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.531 HG22 ' O ' ' C' ' 38' ' ' LEU . 18.7 tt -61.5 -38.26 79.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.193 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.622 HD23 ' O ' ' C' ' 43' ' ' LEU . 1.5 tt -62.0 -41.49 98.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.208 0.528 . . . . 0.0 109.883 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.466 -179.479 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 82.1 t . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.974 0.416 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.52 -44.51 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.506 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.67 96.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.634 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.85 -50.07 67.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.857 0.361 . . . . 0.0 110.704 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -62.83 -42.89 99.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.8 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.501 HG22 HD12 ' D' ' 36' ' ' LEU . 91.5 mt -62.13 -41.78 92.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.814 -179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 68.3 mt -58.53 -43.2 86.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.72 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -49.86 74.02 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.258 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mm -63.56 -47.62 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.208 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 36' ' ' LEU . . . . . 0.501 HD12 HG22 ' D' ' 32' ' ' ILE . 45.4 mt -61.87 -43.77 98.17 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.125 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -65.48 -41.78 92.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.767 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.521 ' O ' HG22 ' D' ' 42' ' ' ILE . 2.4 mt -62.36 -40.35 96.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.52 -44.63 98.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.551 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 59.0 mt -74.26 -42.01 60.34 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.132 0.492 . . . . 0.0 111.187 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -68.19 -46.61 70.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.857 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.521 HG22 ' O ' ' D' ' 38' ' ' LEU . 18.6 tt -61.49 -38.25 79.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.238 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.62 ' O ' HD23 ' D' ' 43' ' ' LEU . 1.5 tt -62.0 -41.43 98.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.234 0.54 . . . . 0.0 109.965 -179.211 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.446 -179.49 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.8 t . . . . . 0 C--O 1.233 0.212 0 CA-C-O 121.029 0.442 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.42 -43.77 97.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.383 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -39.85 85.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.547 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.96 -46.39 78.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.527 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -67.08 -39.79 86.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.771 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ILE . . . . . 0.407 ' O ' ' CB ' ' A' ' 36' ' ' LEU . 95.2 mt -64.27 -42.96 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.587 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.56 -44.65 97.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.745 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.46 -48.55 23.28 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.418 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.41 -45.52 92.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.771 0.319 . . . . 0.0 110.835 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 32' ' ' ILE . 46.9 tp -63.34 -44.94 93.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.56 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.4 t60 -59.77 -40.56 88.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.337 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.476 HD21 ' ND1' ' D' ' 37' ' ' HIS . 14.4 mt -61.4 -39.86 92.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.046 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.0 -47.19 90.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.327 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.62 -44.27 62.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.085 0.469 . . . . 0.0 111.168 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -65.52 -35.65 81.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.844 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 38' ' ' LEU . 2.6 mm -63.48 -44.68 98.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.31 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.8 mt -61.19 -40.24 93.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.551 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 55.3 t0 . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.605 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.8 t . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.718 0.295 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.2 86.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.435 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.92 77.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.506 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 78.0 p -66.63 -39.94 88.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.809 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 32' ' ' ILE . . . . . 0.404 ' O ' ' CB ' ' B' ' 36' ' ' LEU . 94.7 mt -64.31 -42.89 96.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.649 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 74.0 mt -60.54 -44.76 97.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.716 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.3 -48.75 23.41 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.425 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.18 -45.66 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.899 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 36' ' ' LEU . . . . . 0.404 ' CB ' ' O ' ' B' ' 32' ' ' ILE . 46.8 tp -63.18 -44.86 94.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.096 0.474 . . . . 0.0 110.875 -179.154 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.42 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.7 t60 -59.8 -40.29 87.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.312 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.56 HD21 ' ND1' ' A' ' 37' ' ' HIS . 14.7 mt -61.64 -39.77 92.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 92.9 mt -59.11 -47.13 91.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.462 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.69 -43.62 62.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.089 0.471 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -66.38 -35.02 79.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.028 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' B' ' 38' ' ' LEU . 2.6 mm -63.93 -44.74 98.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.268 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.4 mt -61.16 -40.33 93.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 55.1 t0 . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.631 179.899 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 85.9 t . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.771 0.319 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.43 -40.18 85.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.475 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.72 -46.37 77.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.57 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 78.3 p -66.99 -39.87 87.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.755 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 32' ' ' ILE . . . . . 0.408 ' O ' ' CB ' ' C' ' 36' ' ' LEU . 94.2 mt -64.29 -42.88 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.618 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.37 -44.84 96.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.731 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.29 -48.92 22.66 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.508 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.07 -45.54 94.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.896 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 36' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' C' ' 32' ' ' ILE . 46.9 tp -63.22 -44.84 94.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.01 0.433 . . . . 0.0 110.906 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.523 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -59.88 -40.41 88.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.414 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.42 HD21 ' ND1' ' B' ' 37' ' ' HIS . 14.6 mt -61.52 -39.94 92.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 93.8 mt -58.82 -47.52 89.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 C-N-CA 120.156 -0.617 . . . . 0.0 110.406 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 87.5 mt -72.38 -44.04 63.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.07 0.462 . . . . 0.0 111.26 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -65.81 -35.45 80.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.966 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' C' ' 38' ' ' LEU . 2.6 mm -63.63 -44.85 98.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.248 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 66.8 mt -61.06 -40.53 94.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.614 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 54.6 t0 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.605 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 95.6 t . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 121.028 0.442 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 84.2 t -61.48 -43.99 97.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -40.3 86.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.422 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.82 -46.36 78.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.532 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 77.9 p -67.21 -39.52 86.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.771 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 32' ' ' ILE . . . . . 0.403 ' O ' ' CB ' ' D' ' 36' ' ' LEU . 94.2 mt -64.54 -42.81 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.615 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 74.6 mt -60.43 -44.97 97.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.803 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.3 -48.8 23.15 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.365 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.0 -45.65 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.79 0.328 . . . . 0.0 110.956 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 36' ' ' LEU . . . . . 0.403 ' CB ' ' O ' ' D' ' 32' ' ' ILE . 47.3 tp -63.36 -44.52 94.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.027 0.441 . . . . 0.0 110.916 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.476 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.6 t60 -60.05 -40.11 88.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.405 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.523 HD21 ' ND1' ' C' ' 37' ' ' HIS . 14.8 mt -61.76 -39.85 93.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.005 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 93.8 mt -58.93 -47.46 89.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.445 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.45 -43.83 63.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.073 0.464 . . . . 0.0 111.21 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -66.11 -35.37 80.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.939 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.405 ' CG1' ' O ' ' D' ' 38' ' ' LEU . 2.6 mm -63.61 -44.72 98.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.187 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.23 -40.29 93.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.626 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 55.5 t0 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.552 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.3 t . . . . . 0 C--O 1.235 0.324 0 CA-C-O 120.83 0.347 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 28' ' ' VAL . . . . . 0.531 HG13 ' N ' ' A' ' 29' ' ' ALA . 7.2 p -64.21 -42.95 97.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ALA . . . . . 0.531 ' N ' HG13 ' A' ' 28' ' ' VAL . . . -57.39 -44.23 84.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.438 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.28 -50.77 66.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.564 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.4 m -60.52 -42.75 97.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.704 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 94.0 mt -63.19 -42.48 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.428 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.529 HG23 HD11 ' B' ' 38' ' ' LEU . 72.3 mt -60.99 -43.92 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.641 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.01 -52.62 39.98 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.72 -44.42 93.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.659 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.75 -44.6 95.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.677 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -64.5 -38.91 92.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.498 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.645 HD21 ' ND1' ' D' ' 37' ' ' HIS . 11.8 mt -61.35 -39.93 92.4 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.137 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.04 -44.05 98.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.14 0.495 . . . . 0.0 110.365 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.4 mt -73.77 -41.17 62.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.944 0.402 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -70.48 -45.86 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.575 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 38' ' ' LEU . 18.2 tt -63.56 -39.9 87.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.293 -178.613 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' LEU . . . . . 0.446 ' N ' HG23 ' A' ' 42' ' ' ILE . 35.7 mt -62.44 -41.57 98.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.681 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 -179.829 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' B' B ' 28' ' ' VAL . . . . . 0.53 HG13 ' N ' ' B' ' 29' ' ' ALA . 7.2 p . . . . . 0 CA--C 1.523 -0.08 0 CA-C-O 120.953 0.406 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 29' ' ' ALA . . . . . 0.53 ' N ' HG13 ' B' ' 28' ' ' VAL . . . -57.33 -44.57 84.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.405 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.02 -50.3 66.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.646 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -61.36 -42.4 98.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.681 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.14 -42.28 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.507 HG23 HD11 ' C' ' 38' ' ' LEU . 73.7 mt -61.28 -44.01 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.625 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.74 -52.66 40.49 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.85 -44.66 92.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.942 0.401 . . . . 0.0 110.718 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.51 -44.89 95.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.055 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.673 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.3 t60 -64.12 -39.57 94.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.481 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.677 HD21 ' ND1' ' A' ' 37' ' ' HIS . 11.4 mt -60.77 -40.08 91.17 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.082 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.85 -43.89 98.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.028 0.442 . . . . 0.0 110.357 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.6 mt -73.93 -41.41 62.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.982 0.42 . . . . 0.0 110.875 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -70.05 -45.91 66.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.567 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.533 HG22 ' O ' ' B' ' 38' ' ' LEU . 18.1 tt -63.47 -40.49 89.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.326 -178.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 43' ' ' LEU . . . . . 0.458 ' N ' HG23 ' B' ' 42' ' ' ILE . 35.8 mt -61.86 -41.38 97.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 66.8 t0 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.432 -179.694 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' C' C ' 28' ' ' VAL . . . . . 0.541 HG13 ' N ' ' C' ' 29' ' ' ALA . 7.5 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.922 0.391 . . . . 0.0 110.472 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 29' ' ' ALA . . . . . 0.541 ' N ' HG13 ' C' ' 28' ' ' VAL . . . -57.4 -44.31 84.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.443 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.21 -50.52 66.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.563 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -60.99 -42.85 99.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.619 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.11 -42.19 95.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.311 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.531 HG23 HD11 ' D' ' 38' ' ' LEU . 72.4 mt -61.17 -43.58 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.725 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.4 -52.63 38.27 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.6 -44.61 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.653 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.6 -44.59 95.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.658 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -64.24 -39.3 93.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.456 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.673 HD21 ' ND1' ' B' ' 37' ' ' HIS . 11.4 mt -61.28 -39.69 91.36 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.332 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.25 -43.81 98.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.938 0.399 . . . . 0.0 110.287 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 mt -73.95 -41.26 62.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.952 0.406 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 t90 -70.29 -46.26 64.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.588 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.551 HG22 ' O ' ' C' ' 38' ' ' LEU . 18.3 tt -63.18 -40.19 88.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.423 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 43' ' ' LEU . . . . . 0.461 ' N ' HG23 ' C' ' 42' ' ' ILE . 35.3 mt -62.13 -41.52 98.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.619 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 68.3 t0 . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.465 -179.727 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 95.1 t . . . . . 0 C--O 1.235 0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' D' D ' 28' ' ' VAL . . . . . 0.533 HG13 ' N ' ' D' ' 29' ' ' ALA . 7.3 p -64.37 -42.94 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.581 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 29' ' ' ALA . . . . . 0.533 ' N ' HG13 ' D' ' 28' ' ' VAL . . . -57.54 -44.24 85.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.423 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.19 -50.36 67.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.564 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 49.1 m -61.27 -42.49 98.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.676 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.2 -42.31 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.527 HG23 HD11 ' A' ' 38' ' ' LEU . 72.7 mt -61.16 -44.04 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.568 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.93 -52.73 39.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.4 -44.93 94.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.978 0.418 . . . . 0.0 110.739 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.37 -45.02 95.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.072 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.645 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -63.8 -39.49 94.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.435 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.658 HD21 ' ND1' ' C' ' 37' ' ' HIS . 11.7 mt -61.11 -39.93 91.82 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.243 -179.313 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.8 -43.93 98.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.107 0.479 . . . . 0.0 110.316 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 55.2 mt -73.94 -41.43 62.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.992 0.425 . . . . 0.0 110.82 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -70.17 -45.72 66.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.634 -178.634 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.553 HG22 ' O ' ' D' ' 38' ' ' LEU . 18.1 tt -63.81 -39.59 85.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.342 -178.628 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 43' ' ' LEU . . . . . 0.444 ' N ' HG23 ' D' ' 42' ' ' ILE . 35.6 mt -62.78 -40.87 98.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.737 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 67.8 t0 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.499 -179.745 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.924 0.392 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.3 t -65.97 -43.43 92.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.329 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.56 -31.02 63.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.349 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.68 -42.04 61.84 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.562 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -68.41 -44.36 75.19 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.007 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.25 -35.89 76.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.546 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' ILE . . . . . 0.592 HG23 HD11 ' B' ' 38' ' ' LEU . 31.8 mt -62.2 -45.71 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.74 -52.01 55.12 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.171 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ILE . . . . . 0.409 HD11 HD11 ' D' ' 33' ' ' ILE . 37.5 mm -68.42 -44.34 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.18 -46.38 89.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.607 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' HIS . . . . . 0.63 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -64.93 -41.49 95.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.246 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' LEU . . . . . 0.577 HD11 HG23 ' D' ' 33' ' ' ILE . 9.4 mt -60.92 -40.94 95.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.406 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.87 -44.56 99.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.227 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.76 -43.28 69.13 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.206 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' TRP . . . . . 0.415 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 71.5 t90 -69.06 -46.75 67.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.493 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.3 tt -65.24 -39.67 86.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.953 0.406 . . . . 0.0 110.291 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.12 -41.66 98.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.35 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.325 -0.468 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.482 -179.767 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.9 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.863 0.363 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.67 -30.79 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.259 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.01 -41.96 61.07 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.52 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 77.6 p -68.42 -44.39 75.11 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.025 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.42 -35.76 76.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.573 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 33' ' ' ILE . . . . . 0.593 HG23 HD11 ' C' ' 38' ' ' LEU . 32.0 mt -62.23 -45.57 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.198 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.85 -52.03 54.9 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.128 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 35' ' ' ILE . . . . . 0.46 HD11 HD11 ' A' ' 33' ' ' ILE . 38.8 mm -68.31 -44.46 83.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.798 0.333 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.13 -46.38 89.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.58 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 37' ' ' HIS . . . . . 0.55 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.0 t60 -65.1 -41.34 95.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.418 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 38' ' ' LEU . . . . . 0.63 HD21 ' ND1' ' A' ' 37' ' ' HIS . 8.8 mt -60.96 -40.93 95.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.37 -179.25 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.99 -44.42 99.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.22 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.82 -43.39 68.69 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.145 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 41' ' ' TRP . . . . . 0.407 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 71.5 t90 -68.86 -46.8 67.54 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.647 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 42' ' ' ILE . . . . . 0.551 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.3 tt -65.22 -39.72 86.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.276 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.05 -41.62 98.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.434 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.326 -0.427 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.594 -179.772 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.943 0.402 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.51 -30.98 63.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.314 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.76 -42.08 61.57 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.582 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 77.8 p -68.45 -44.19 75.44 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.076 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.45 -35.97 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.468 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 33' ' ' ILE . . . . . 0.567 HG23 HD11 ' D' ' 38' ' ' LEU . 32.5 mt -62.07 -45.69 98.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.154 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.49 -52.3 53.42 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.153 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 35' ' ' ILE . . . . . 0.482 HD11 HD11 ' B' ' 33' ' ' ILE . 39.2 mm -68.25 -44.41 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.71 0.291 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.12 -46.45 88.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.67 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 37' ' ' HIS . . . . . 0.619 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.9 t60 -64.97 -41.2 95.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.389 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 38' ' ' LEU . . . . . 0.593 HD11 HG23 ' B' ' 33' ' ' ILE . 9.3 mt -60.98 -41.1 95.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.304 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.8 -44.48 99.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.134 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.85 -43.3 68.76 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.177 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 71.9 t90 -68.94 -46.76 67.38 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.623 -179.319 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 42' ' ' ILE . . . . . 0.56 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.3 tt -65.22 -39.68 86.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.327 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.09 -41.59 98.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.418 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 C--N 1.326 -0.44 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.592 -179.821 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.336 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 92.6 t -65.96 -43.45 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.369 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.6 -30.83 63.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.389 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.84 -42.07 61.38 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.533 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 77.9 p -68.6 -44.27 74.68 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.948 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 20.3 tt -65.22 -36.12 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.566 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 33' ' ' ILE . . . . . 0.577 HG23 HD11 ' A' ' 38' ' ' LEU . 32.0 mt -62.06 -45.72 98.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.148 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.62 -52.17 54.15 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.198 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 35' ' ' ILE . . . . . 0.474 HD11 HD11 ' C' ' 33' ' ' ILE . 39.0 mm -68.3 -44.34 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.2 -46.24 89.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.799 0.333 . . . . 0.0 110.605 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 37' ' ' HIS . . . . . 0.557 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.9 t60 -65.13 -41.34 94.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.345 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 38' ' ' LEU . . . . . 0.619 HD21 ' ND1' ' C' ' 37' ' ' HIS . 8.8 mt -60.88 -41.0 95.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.389 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.97 -44.43 99.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.225 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.95 -43.24 68.56 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.116 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 41' ' ' TRP . . . . . 0.405 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 71.4 t90 -68.96 -46.75 67.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.603 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 42' ' ' ILE . . . . . 0.559 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.3 tt -65.31 -39.6 85.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.861 0.362 . . . . 0.0 110.351 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.17 -41.59 98.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.394 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.325 -0.49 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.553 -179.788 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 23' ' ' SER . 39.0 t30 -63.48 -41.31 98.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.66 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.89 -42.53 99.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.516 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.7 p -67.53 -23.6 65.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.719 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' ASN . 89.7 p -151.96 122.64 7.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.113 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.28 150.18 48.73 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.517 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.94 -20.41 51.25 Favored 'Trans proline' 0 N--CA 1.497 1.68 0 C-N-CA 122.567 2.178 . . . . 0.0 112.079 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.526 ' N ' HD12 ' A' ' 26' ' ' LEU . 9.7 mp -62.74 -42.24 99.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.668 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.7 t -64.16 -44.88 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.983 0.42 . . . . 0.0 110.501 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.66 -43.89 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.252 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.57 94.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.51 -50.26 68.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.534 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -61.96 -42.1 98.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.673 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.49 -42.45 96.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.655 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.95 -45.02 99.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.718 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.9 -50.83 38.46 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.344 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.85 -43.95 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.624 0.25 . . . . 0.0 111.008 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.89 -46.38 89.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.975 0.417 . . . . 0.0 110.88 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.434 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.4 t60 -59.68 -39.55 84.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.212 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.435 HD21 ' ND1' ' D' ' 37' ' ' HIS . 14.2 mt -62.31 -38.01 87.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.814 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 90.2 mt -59.93 -45.53 95.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.13 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.17 -44.34 60.09 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.46 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.466 ' CZ2' ' NE ' ' A' ' 45' ' ' ARG . 85.1 t90 -65.78 -40.04 91.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.996 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.54 -43.38 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.329 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.6 mt -61.52 -39.84 92.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.426 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.485 ' CG ' ' NH1' ' B' ' 45' ' ' ARG . 32.3 t70 -59.02 -45.91 89.53 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.618 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.476 ' NH1' ' CG ' ' D' ' 44' ' ' ASP . 89.0 mtt-85 -82.78 -14.48 54.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.981 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.4 -45.06 92.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.719 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -66.02 -44.84 83.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.947 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.445 ' O ' ' O ' ' A' ' 45' ' ' ARG . 96.9 m-85 -135.01 151.09 50.49 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.501 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.7 mptt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.122 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.9 p . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' B' ' 23' ' ' SER . 39.2 t30 -63.49 -41.29 98.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.636 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -63.0 -42.4 99.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.542 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 78.3 p -67.43 -23.63 65.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.784 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 23' ' ' SER . . . . . 0.425 ' O ' ' O ' ' B' ' 20' ' ' ASN . 89.8 p -151.96 122.7 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.116 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.5 150.18 48.2 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.487 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.8 -20.59 52.0 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 122.624 2.216 . . . . 0.0 112.061 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.534 ' N ' HD12 ' B' ' 26' ' ' LEU . 9.7 mp -62.67 -42.22 99.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.616 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 92.3 t -64.05 -45.1 97.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.977 0.417 . . . . 0.0 110.539 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.63 -43.87 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.325 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.72 94.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.478 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.66 -50.2 68.76 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.663 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -61.91 -41.92 98.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.604 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.56 -42.4 96.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.714 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.02 -44.99 99.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.739 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.09 -50.75 37.92 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.278 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.73 -44.01 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.63 0.252 . . . . 0.0 111.002 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.9 -46.42 89.44 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.973 0.416 . . . . 0.0 110.922 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.469 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.3 t60 -59.57 -39.61 84.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.286 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.434 HD21 ' ND1' ' A' ' 37' ' ' HIS . 14.3 mt -62.34 -38.04 87.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.793 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.92 -45.56 95.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.109 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.3 mt -73.08 -44.48 60.42 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.482 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.483 ' CZ2' ' NE ' ' B' ' 45' ' ' ARG . 85.1 t90 -65.71 -39.98 91.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.05 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.52 -43.31 96.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.363 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.55 -39.9 92.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.448 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.488 ' CG ' ' NH1' ' C' ' 45' ' ' ARG . 32.6 t70 -58.93 -45.61 89.99 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.676 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.485 ' NH1' ' CG ' ' A' ' 44' ' ' ASP . 88.5 mtt-85 -83.13 -14.45 53.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.021 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.32 -45.09 92.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.791 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -66.14 -44.66 83.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.44 ' O ' ' O ' ' B' ' 45' ' ' ARG . 97.0 m-85 -135.08 150.96 50.34 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.527 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.7 mptt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.178 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 21.9 p . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 20' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' C' ' 23' ' ' SER . 38.7 t30 -63.4 -41.31 98.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.61 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.93 -42.47 99.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.527 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -67.54 -23.47 65.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.761 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 23' ' ' SER . . . . . 0.429 ' O ' ' O ' ' C' ' 20' ' ' ASN . 90.5 p -151.99 122.67 7.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.096 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.5 150.13 48.11 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.499 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -66.8 -20.48 52.1 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.605 2.204 . . . . 0.0 112.056 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.532 ' N ' HD12 ' C' ' 26' ' ' LEU . 9.7 mp -62.68 -42.26 99.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.602 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.1 -44.95 97.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.935 0.398 . . . . 0.0 110.523 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 96.3 t -62.64 -43.93 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.339 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.55 94.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.6 -50.25 68.51 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.585 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 51.6 m -62.0 -42.05 98.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.667 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.49 -42.4 96.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.718 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.9 -45.06 98.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.757 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 34' ' ' GLY . . . . . 1.079 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -68.15 -50.67 38.08 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.377 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.79 -43.87 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.671 0.272 . . . . 0.0 111.008 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.97 -46.46 89.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.91 0.386 . . . . 0.0 110.874 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.447 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.3 t60 -59.65 -39.45 84.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.266 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.469 HD21 ' ND1' ' B' ' 37' ' ' HIS . 14.1 mt -62.34 -38.03 87.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.822 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.94 -45.56 95.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.084 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.15 -44.46 60.04 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.458 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.481 ' CZ2' ' NE ' ' C' ' 45' ' ' ARG . 85.2 t90 -65.69 -39.96 91.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.019 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.48 -43.39 96.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.277 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.65 -39.82 92.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.456 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.474 ' CG ' ' NH1' ' D' ' 45' ' ' ARG . 32.8 t70 -58.94 -45.55 90.14 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.649 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.488 ' NH1' ' CG ' ' B' ' 44' ' ' ASP . 88.5 mtt-85 -83.18 -14.4 53.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.996 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.46 -45.03 92.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.758 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -66.25 -44.42 83.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.89 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.45 ' O ' ' O ' ' C' ' 45' ' ' ARG . 96.9 m-85 -135.32 151.12 50.22 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.587 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 14.7 mptt . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.136 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' D' D ' 20' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' D' ' 23' ' ' SER . 39.3 t30 -63.44 -41.35 98.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.618 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -63.05 -42.33 99.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.565 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -67.77 -23.35 65.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.742 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 23' ' ' SER . . . . . 0.42 ' O ' ' O ' ' D' ' 20' ' ' ASN . 92.5 p -152.14 122.67 7.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.076 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.61 150.24 48.09 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.494 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.86 -20.49 51.69 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 122.585 2.19 . . . . 0.0 112.091 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.539 ' N ' HD12 ' D' ' 26' ' ' LEU . 9.7 mp -62.7 -42.19 99.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.625 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.17 -44.92 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.386 . . . . 0.0 110.503 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.75 -43.81 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.328 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.67 94.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.56 -50.19 68.55 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.551 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 53.7 m -61.99 -42.02 98.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.611 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.56 -42.4 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.742 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.0 -45.07 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.718 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.01 -50.71 38.68 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.29 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.87 -43.91 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.023 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.95 -46.41 89.41 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.859 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.435 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.2 t60 -59.58 -39.58 84.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.216 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.447 HD21 ' ND1' ' C' ' 37' ' ' HIS . 14.2 mt -62.38 -38.02 87.97 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.6 mt -59.91 -45.47 95.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.084 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 87.3 mt -73.17 -44.53 59.76 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.451 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.475 ' CZ2' ' NE ' ' D' ' 45' ' ' ARG . 85.2 t90 -65.64 -40.04 92.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.984 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.46 -43.31 96.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.362 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.73 -39.74 92.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.413 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.476 ' CG ' ' NH1' ' A' ' 45' ' ' ARG . 32.9 t70 -58.93 -45.58 90.05 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.598 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.475 ' NE ' ' CZ2' ' D' ' 41' ' ' TRP . 89.1 mtt-85 -83.31 -14.34 53.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.45 -45.06 92.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.727 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -66.15 -44.58 83.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.451 ' O ' ' O ' ' D' ' 45' ' ' ARG . 96.9 m-85 -135.17 151.05 50.3 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.566 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 14.7 mptt . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.174 -179.919 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 1.079 'BR ' ' HA3' ' C' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.3 p . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 56.74 41.92 27.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.541 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -71.82 -10.68 60.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.664 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -60.73 -44.17 96.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.64 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.1 m -147.21 123.33 10.81 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.138 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.35 151.5 37.49 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.375 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -67.96 -19.87 45.51 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 122.436 2.091 . . . . 0.0 112.133 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.1 mp -62.64 -42.08 99.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.524 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.72 -47.69 91.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.99 0.424 . . . . 0.0 110.51 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.9 t -65.6 -43.8 93.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.191 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.92 -40.62 96.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.561 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.55 -49.36 72.87 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.475 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -62.11 -41.78 98.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.509 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.82 -42.34 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.2 mt -61.43 -44.56 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.932 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.11 -51.75 42.22 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.336 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.92 -44.52 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.727 0.298 . . . . 0.0 111.232 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.44 -44.42 94.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.639 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.606 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.2 t60 -60.34 -40.84 92.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.127 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.651 HD21 ' ND1' ' D' ' 37' ' ' HIS . 11.9 mt -61.23 -39.36 90.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.152 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.25 -44.31 98.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.893 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.46 ' N ' HD22 ' A' ' 40' ' ' LEU . 4.0 mm? -72.43 -43.41 63.85 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.348 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -69.31 -43.11 74.43 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.9 tt -63.84 -41.02 91.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.323 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -61.97 -44.13 97.4 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.791 0.329 . . . . 0.0 110.219 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.9 -42.23 99.71 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.332 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 -78.78 -17.03 56.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.007 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.63 -42.52 99.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.446 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -99.54 24.4 8.25 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -45.14 161.23 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.472 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.562 -179.725 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.8 p . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 56.78 41.84 27.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.638 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -71.91 -10.38 59.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.645 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.06 -44.09 97.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.555 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 66.8 m -147.14 123.13 10.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.14 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.22 151.55 35.77 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.307 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -67.98 -19.96 45.28 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 122.423 2.082 . . . . 0.0 112.09 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.517 ' N ' HD12 ' B' ' 26' ' ' LEU . 10.1 mp -62.56 -42.12 99.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.468 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.6 t -62.54 -47.87 90.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 120.998 0.427 . . . . 0.0 110.484 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 93.3 t -65.55 -43.77 94.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.266 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.41 95.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.551 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.57 -49.46 72.66 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.415 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.6 m -62.03 -41.85 98.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.52 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.79 -42.33 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.714 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.55 -44.42 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.804 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.28 -51.64 42.13 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.325 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.93 -44.61 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.703 0.287 . . . . 0.0 111.244 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.32 -44.42 95.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.624 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.655 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.2 t60 -60.38 -40.77 92.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.102 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.606 HD21 ' ND1' ' A' ' 37' ' ' HIS . 12.1 mt -61.42 -39.33 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.092 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.21 -44.35 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.851 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.451 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.0 mm? -72.36 -43.35 64.15 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.406 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -69.49 -43.12 73.79 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.519 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.9 tt -63.65 -41.13 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.435 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.548 ' O ' HD13 ' B' ' 43' ' ' LEU . 0.2 OUTLIER -61.74 -44.2 97.36 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.895 0.379 . . . . 0.0 110.255 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.03 -42.2 99.7 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.369 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -78.71 -16.94 56.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.74 -42.49 99.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.488 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -99.61 24.42 8.27 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.196 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -45.19 161.15 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.485 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.514 -179.723 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 51.6 p . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 56.67 41.84 27.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.686 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -71.78 -10.64 60.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.613 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -60.78 -44.21 97.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.644 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 67.8 m -147.09 123.27 10.85 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.131 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.36 151.48 37.73 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.385 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -67.91 -19.94 45.73 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.399 2.066 . . . . 0.0 112.1 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.525 ' N ' HD12 ' C' ' 26' ' ' LEU . 10.2 mp -62.6 -42.09 99.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.473 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.69 -47.75 91.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.956 0.407 . . . . 0.0 110.432 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.55 -43.84 94.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.18 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.46 95.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.573 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.54 -49.48 72.53 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.398 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 50.4 m -62.04 -41.79 98.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.565 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.88 -42.28 95.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.693 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.49 -44.48 98.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.813 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 34' ' ' GLY . . . . . 0.909 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -66.2 -51.75 41.75 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.369 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.89 -44.58 92.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.669 0.271 . . . . 0.0 111.256 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.31 -44.47 94.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.378 . . . . 0.0 110.64 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.61 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.1 t60 -60.37 -40.75 91.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.06 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.655 HD21 ' ND1' ' B' ' 37' ' ' HIS . 11.9 mt -61.42 -39.29 90.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.114 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.22 -44.37 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.92 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.461 ' N ' HD22 ' C' ' 40' ' ' LEU . 4.0 mm? -72.31 -43.48 64.1 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.367 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -69.39 -43.02 74.35 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.519 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.8 tt -63.8 -41.01 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.417 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.547 ' O ' HD13 ' C' ' 43' ' ' LEU . 0.2 OUTLIER -62.02 -44.21 97.2 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.17 -179.549 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -62.81 -42.16 99.6 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.363 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -78.85 -16.87 56.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.969 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.76 -42.45 99.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.828 0.347 . . . . 0.0 110.432 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -99.56 24.35 8.33 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -45.16 161.16 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.448 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.449 -179.691 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 50.8 p . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 56.75 41.96 27.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.641 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -72.03 -10.48 59.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.583 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -60.85 -44.23 97.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.637 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 67.3 m -147.07 123.09 10.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.162 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.24 151.51 36.17 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.392 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -67.97 -19.94 45.37 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 122.451 2.101 . . . . 0.0 112.105 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.503 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.1 mp -62.51 -42.05 99.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.524 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.77 -47.61 92.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.891 0.376 . . . . 0.0 110.585 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.56 -43.81 94.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.287 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.63 96.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.586 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.59 -49.4 72.86 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.407 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -62.06 -41.77 98.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.595 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.92 -42.25 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.669 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.45 -44.56 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.892 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.12 -51.78 41.94 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.38 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.82 -44.62 92.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.689 0.281 . . . . 0.0 111.256 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.34 -44.44 94.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.637 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.651 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.2 t60 -60.38 -40.79 92.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.071 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.61 HD21 ' ND1' ' C' ' 37' ' ' HIS . 12.1 mt -61.42 -39.33 90.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.097 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.27 -44.33 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 119.89 -0.724 . . . . 0.0 109.911 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 40' ' ' LEU . . . . . 0.45 HD22 ' N ' ' D' ' 40' ' ' LEU . 4.0 mm? -72.28 -43.33 64.41 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.391 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 73.3 t90 -69.55 -42.98 73.85 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.51 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.9 tt -63.88 -40.91 90.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.402 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.556 HD13 ' O ' ' D' ' 43' ' ' LEU . 0.2 OUTLIER -61.82 -44.3 97.13 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 110.235 -179.626 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.92 -42.16 99.7 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.385 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -78.83 -16.9 56.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.59 -42.68 99.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 110.429 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -99.53 24.37 8.27 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -45.17 161.11 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.599 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.518 -179.657 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 0.909 'BR ' ' HA3' ' C' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 56.41 41.74 28.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.659 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -74.93 -7.41 53.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.8 t -61.46 -44.05 97.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.2 t -82.61 92.18 7.09 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.686 -0.486 . . . . 0.0 109.686 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -70.02 151.03 96.21 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.568 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -43.82 -29.48 2.49 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.201 1.934 . . . . 0.0 112.465 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.528 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.7 mp -61.55 -42.83 99.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.574 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.3 t -63.58 -47.86 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.005 0.431 . . . . 0.0 110.503 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.1 t -64.57 -44.38 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.326 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.12 95.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.49 -50.02 68.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.519 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.0 t -62.91 -42.67 99.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.588 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.12 -42.4 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.642 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.2 mt -60.38 -44.79 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.815 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.65 -51.91 38.2 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.381 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.28 -43.43 95.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.679 0.276 . . . . 0.0 111.237 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.19 -46.38 90.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.56 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.7 t60 -59.85 -40.1 87.43 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.098 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.614 ' O ' HG22 ' A' ' 42' ' ' ILE . 9.2 mt -60.86 -39.19 88.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.18 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.103 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.473 ' N ' HD12 ' A' ' 40' ' ' LEU . 11.1 mp -72.81 -44.66 61.21 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.187 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 76.9 t90 -66.45 -46.44 76.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.504 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.3 tt -65.9 -32.64 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.412 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.56 -45.99 91.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.502 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 45' ' ' ARG . 2.2 p30 -64.92 -35.87 82.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.054 0.454 . . . . 0.0 110.371 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.54 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 72.5 ttt180 -63.02 -36.48 83.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.817 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.4 tt -59.72 -44.96 93.52 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 110.28 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -61.08 -42.78 99.14 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.408 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -152.35 156.12 38.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.537 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.526 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 56.5 41.67 28.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -74.96 -7.36 53.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.571 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 41.2 t -61.61 -43.94 97.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 33.8 t -82.63 92.32 7.12 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -70.15 150.93 96.07 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.578 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -43.69 -29.62 2.41 Favored 'Trans proline' 0 N--CA 1.492 1.399 0 C-N-CA 122.303 2.002 . . . . 0.0 112.389 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.528 ' N ' HD12 ' B' ' 26' ' ' LEU . 10.7 mp -61.49 -42.78 99.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.527 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 82.3 t -63.73 -47.69 89.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 110.512 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.64 -44.31 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.348 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.96 95.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.6 -50.02 69.04 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.457 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 38.6 t -62.88 -42.74 99.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 110.622 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.13 -42.33 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.636 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 69.5 mt -60.59 -44.74 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.707 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.5 -51.95 38.67 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.463 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.28 -43.51 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 111.26 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.17 -46.38 90.72 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.068 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.556 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -59.9 -40.03 87.41 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.047 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.621 ' O ' HG22 ' B' ' 42' ' ' ILE . 9.0 mt -60.72 -39.27 88.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.1 -44.64 99.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.144 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.468 ' N ' HD12 ' B' ' 40' ' ' LEU . 11.0 mp -72.88 -44.64 61.07 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.138 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.414 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 77.0 t90 -66.17 -46.73 76.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.531 -179.165 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.621 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.3 tt -65.88 -32.51 58.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.846 0.355 . . . . 0.0 110.487 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.58 -45.89 92.26 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.599 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' B' ' 45' ' ' ARG . 2.2 p30 -65.02 -35.8 82.35 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.266 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.541 ' N ' ' OD1' ' B' ' 44' ' ' ASP . 72.6 ttt180 -62.97 -36.4 83.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.611 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.3 tt -59.75 -44.88 93.62 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.371 -178.757 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -61.12 -42.86 99.3 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.368 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.404 ' O ' ' O ' ' B' ' 45' ' ' ARG . 54.1 p90 -152.26 156.03 38.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.521 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.483 179.916 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 56.53 41.65 28.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.608 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -74.96 -7.36 53.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.609 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 41.1 t -61.56 -43.96 97.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 32.2 t -82.77 92.32 7.21 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -69.96 151.03 96.29 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -43.82 -29.45 2.47 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.193 1.929 . . . . 0.0 112.516 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.534 ' N ' HD12 ' C' ' 26' ' ' LEU . 10.7 mp -61.69 -42.6 99.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.562 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 83.3 t -63.75 -47.74 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.966 0.412 . . . . 0.0 110.505 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 83.5 t -64.71 -44.4 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.283 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.99 95.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.551 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.08 68.74 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.453 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 38.9 t -62.84 -42.72 99.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.632 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.11 -42.27 95.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.635 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 69.0 mt -60.56 -44.7 97.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.822 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.59 -52.02 37.64 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.337 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.17 -43.55 95.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.735 0.302 . . . . 0.0 111.163 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.19 -46.41 90.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.059 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.594 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -59.87 -40.05 87.35 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.078 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.622 ' O ' HG22 ' C' ' 42' ' ' ILE . 9.3 mt -60.85 -39.21 88.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.027 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.23 -44.49 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.175 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.472 HD12 ' N ' ' C' ' 40' ' ' LEU . 11.1 mp -72.87 -44.81 60.89 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.999 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 76.8 t90 -66.19 -46.57 76.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.504 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.622 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.4 tt -65.88 -32.63 58.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.374 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.58 -45.95 92.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.571 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' C' ' 45' ' ' ARG . 2.2 p30 -65.0 -35.77 82.27 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.426 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.526 ' N ' ' OD1' ' C' ' 44' ' ' ASP . 72.8 ttt180 -63.03 -36.45 83.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.632 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.4 tt -59.68 -44.9 93.44 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.871 0.367 . . . . 0.0 110.369 -178.795 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -61.15 -42.82 99.24 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.357 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.412 ' O ' ' O ' ' C' ' 45' ' ' ARG . 53.9 p90 -152.31 156.17 39.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.62 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.454 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 56.46 41.61 28.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -74.99 -7.39 53.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.488 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 41.2 t -61.52 -43.92 98.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 32.4 t -82.78 92.57 7.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -70.21 150.86 95.99 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.529 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -43.67 -29.52 2.34 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.269 1.98 . . . . 0.0 112.453 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.533 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.7 mp -61.58 -42.85 99.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.547 -179.11 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 83.4 t -63.6 -47.68 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.977 0.418 . . . . 0.0 110.511 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 82.3 t -64.74 -44.34 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.26 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.03 95.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.481 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.423 ' O ' 'BR ' ' C' ' 100' ' ' 3LW . . . -54.43 -50.03 68.59 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.573 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 38.7 t -62.91 -42.62 99.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.752 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.16 -42.32 96.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.615 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.55 -44.75 97.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.835 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 34' ' ' GLY . . . . . 0.596 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -66.51 -52.04 37.92 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.374 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.13 -43.52 95.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.766 0.317 . . . . 0.0 111.254 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.17 -46.5 90.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.037 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.532 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.7 t60 -60.0 -39.89 87.32 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.101 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.624 ' O ' HG22 ' D' ' 42' ' ' ILE . 8.9 mt -60.79 -39.26 88.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.16 -44.44 99.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.226 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 40' ' ' LEU . . . . . 0.47 ' N ' HD12 ' D' ' 40' ' ' LEU . 11.0 mp -72.96 -44.64 60.88 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.979 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.416 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 77.4 t90 -66.14 -46.63 76.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.563 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.624 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.3 tt -66.02 -32.55 58.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.415 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.56 -45.95 91.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.528 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' D' ' 45' ' ' ARG . 2.2 p30 -65.0 -35.76 82.24 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.332 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.532 ' N ' ' OD1' ' D' ' 44' ' ' ASP . 72.7 ttt180 -63.04 -36.54 83.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.796 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.627 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.4 tt -59.73 -44.86 93.58 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.258 -178.682 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -61.15 -42.82 99.24 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.342 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' D' ' 45' ' ' ARG . 54.0 p90 -152.3 156.21 39.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.533 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.55 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 0.596 'BR ' ' HA3' ' D' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -85.03 142.25 29.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.285 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.1 p30 -82.59 -1.6 51.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.557 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -61.87 -43.87 97.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.707 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.0 m -83.67 94.34 8.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.055 0.455 . . . . 0.0 110.463 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.89 152.68 75.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.55 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -44.15 -36.11 8.49 Favored 'Trans proline' 0 N--CA 1.49 1.32 0 C-N-CA 122.427 2.085 . . . . 0.0 112.338 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.553 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.6 mp -62.29 -41.9 98.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.404 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.0 t -62.81 -47.17 94.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.902 0.382 . . . . 0.0 110.53 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.49 -44.38 96.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.8 90.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.718 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.62 -49.46 67.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.574 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.0 p -64.46 -41.26 96.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.74 -42.42 95.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.537 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.441 HG23 HD11 ' B' ' 38' ' ' LEU . 71.1 mt -61.13 -43.99 97.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.785 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.85 -52.56 41.13 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.39 -44.11 90.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.691 0.282 . . . . 0.0 110.77 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.49 -46.84 88.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.215 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.632 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.4 t60 -61.9 -39.02 90.54 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.49 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.628 HD21 ' ND1' ' D' ' 37' ' ' HIS . 11.9 mt -61.45 -40.21 93.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.371 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.66 -43.34 96.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.08 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.451 ' N ' HD22 ' A' ' 40' ' ' LEU . 4.2 mm? -73.39 -44.24 58.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.092 0.473 . . . . 0.0 111.227 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.409 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 75.5 t90 -67.89 -46.76 70.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.543 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.5 tt -64.27 -34.52 69.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.359 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.3 tp -61.34 -42.8 99.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.331 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.526 ' CG ' HH12 ' B' ' 45' ' ' ARG . 64.1 t0 -60.83 -43.2 98.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.427 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.527 HH12 ' CG ' ' D' ' 44' ' ' ASP . 60.3 ttt85 -68.14 -20.78 64.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.629 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 46' ' ' LEU . 1.6 tt -61.87 -44.17 97.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.351 0.596 . . . . 0.0 110.291 -179.106 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -61.0 -42.18 97.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.749 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' A' ' 45' ' ' ARG . 28.1 m-85 -89.4 128.97 35.98 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.947 0.403 . . . . 0.0 110.392 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 tttp . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.542 179.883 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -84.24 142.37 30.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.417 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 p30 -82.93 -1.61 52.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.525 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 12.0 t -62.01 -43.71 98.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.586 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.9 m -83.99 94.39 8.28 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.041 0.448 . . . . 0.0 110.37 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.93 152.71 75.89 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.61 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -43.94 -36.24 8.01 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.404 2.069 . . . . 0.0 112.409 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.549 ' N ' HD12 ' B' ' 26' ' ' LEU . 10.5 mp -62.14 -41.75 98.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.376 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.12 -47.03 94.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.539 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.51 -44.54 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.378 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.5 90.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.601 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.11 -49.25 69.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.7 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -64.73 -40.93 96.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.727 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.99 -42.56 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.519 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.441 HG23 HD11 ' C' ' 38' ' ' LEU . 70.3 mt -60.94 -44.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.672 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.57 -52.98 38.24 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.337 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.03 -44.25 92.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.23 -47.35 86.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.165 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -61.28 -39.19 89.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.597 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.632 HD21 ' ND1' ' A' ' 37' ' ' HIS . 12.0 mt -61.27 -40.3 93.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.498 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.6 -43.25 96.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.11 0.481 . . . . 0.0 110.15 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.458 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.2 mm? -73.6 -44.04 58.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.015 0.436 . . . . 0.0 111.174 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -67.99 -46.58 70.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.503 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.616 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.8 tt -64.47 -34.25 68.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.28 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.69 -42.74 99.35 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.299 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.547 ' CG ' HH12 ' C' ' 45' ' ' ARG . 65.3 t0 -61.05 -42.61 98.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.459 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.526 HH12 ' CG ' ' A' ' 44' ' ' ASP . 59.9 ttt85 -68.61 -21.04 64.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.589 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.612 HD23 ' O ' ' B' ' 46' ' ' LEU . 1.7 tt -61.61 -44.32 97.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.39 0.614 . . . . 0.0 110.274 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -60.87 -42.16 97.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.816 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.438 ' O ' ' O ' ' B' ' 45' ' ' ARG . 28.4 m-85 -89.35 129.35 35.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.382 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.5 tttp . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.446 179.929 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -84.13 142.13 30.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.437 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -82.92 -1.71 52.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.513 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -62.07 -43.19 99.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.571 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 13.0 m -84.41 94.6 8.54 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.034 0.445 . . . . 0.0 110.447 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -62.1 152.96 76.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.616 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -44.24 -36.11 8.74 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.342 2.028 . . . . 0.0 112.265 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.562 ' N ' HD12 ' C' ' 26' ' ' LEU . 10.4 mp -62.28 -41.71 98.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.455 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.98 -47.23 93.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.934 0.397 . . . . 0.0 110.592 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 89.7 t -64.46 -44.56 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.373 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.46 -38.54 90.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.677 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.02 -49.27 69.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.633 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 78.4 p -64.48 -41.35 96.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.808 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.78 -42.46 95.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.438 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.666 ' CG2' 'BR ' ' C' ' 100' ' ' 3LW . 69.3 mt -60.88 -44.26 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.734 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.49 -52.61 41.8 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.469 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.9 mt -66.49 -44.15 90.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.713 0.292 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.22 -47.16 87.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.927 0.394 . . . . 0.0 111.205 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.631 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -61.65 -39.18 90.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.621 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.613 ' O ' HG22 ' C' ' 42' ' ' ILE . 11.8 mt -61.31 -40.07 92.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.372 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.83 -43.33 97.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.106 0.479 . . . . 0.0 110.217 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.457 ' N ' HD22 ' C' ' 40' ' ' LEU . 4.2 mm? -73.45 -43.8 59.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.087 0.47 . . . . 0.0 111.186 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.407 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 75.9 t90 -68.31 -46.78 69.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.486 -179.093 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.613 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.7 tt -64.26 -34.17 67.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.236 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 48.4 tp -61.68 -42.93 99.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.266 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.522 ' CG ' HH12 ' D' ' 45' ' ' ARG . 66.1 t0 -60.82 -43.18 98.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.342 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.547 HH12 ' CG ' ' B' ' 44' ' ' ASP . 60.1 ttt85 -68.21 -20.86 64.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.566 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.618 HD23 ' O ' ' C' ' 46' ' ' LEU . 1.6 tt -61.66 -44.25 97.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.463 0.649 . . . . 0.0 110.318 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -61.13 -42.03 97.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.77 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.435 ' O ' ' O ' ' C' ' 45' ' ' ARG . 28.4 m-85 -89.58 128.93 36.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.378 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 tttp . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 117.953 -1.023 . . . . 0.0 110.494 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 65.3 m . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -84.81 142.15 29.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.458 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 36.3 p30 -82.5 -1.61 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.458 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -62.03 -43.64 98.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.69 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 11.6 m -84.12 94.4 8.34 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.447 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.84 152.92 74.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.551 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -44.39 -35.89 8.96 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 122.308 2.006 . . . . 0.0 112.27 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.551 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.4 mp -62.5 -41.81 99.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.373 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.89 -47.32 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.506 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.1 t -64.59 -44.23 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.426 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.4 89.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.711 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.29 -49.65 69.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.694 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -63.99 -41.35 97.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 110.783 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.81 -42.6 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.474 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.461 HG23 HD11 ' A' ' 38' ' ' LEU . 69.1 mt -60.87 -44.04 96.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.773 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 34' ' ' GLY . . . . . 0.412 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -64.81 -52.51 41.7 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.374 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.39 -44.3 90.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.801 0.334 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.17 -47.37 86.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.628 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -61.27 -39.49 90.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.456 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.631 HD21 ' ND1' ' C' ' 37' ' ' HIS . 11.9 mt -61.08 -40.3 93.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.474 -179.213 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.6 -43.41 96.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 121.045 0.45 . . . . 0.0 110.08 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 40' ' ' LEU . . . . . 0.461 HD22 ' N ' ' D' ' 40' ' ' LEU . 4.2 mm? -73.39 -43.93 59.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.144 0.497 . . . . 0.0 111.226 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.412 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 75.6 t90 -68.09 -47.02 69.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.451 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.625 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.6 tt -64.14 -34.33 68.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.309 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 tp -61.48 -42.95 99.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.412 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.527 ' CG ' HH12 ' A' ' 45' ' ' ARG . 64.2 t0 -60.72 -43.29 98.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.394 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.522 HH12 ' CG ' ' C' ' 44' ' ' ASP . 60.3 ttt85 -68.08 -20.7 64.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.659 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.604 HD23 ' O ' ' D' ' 46' ' ' LEU . 1.6 tt -61.76 -44.32 97.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.326 0.584 . . . . 0.0 110.291 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -60.93 -42.15 97.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.812 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' D' ' 45' ' ' ARG . 29.0 m-85 -89.39 129.08 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.427 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 61.5 tttp . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.491 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 0.666 'BR ' ' CG2' ' C' ' 33' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 76.9 p . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.524 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 22.5 p30 -64.11 -35.29 80.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.528 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 22' ' ' SER . 43.9 p-10 -63.83 -34.01 76.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.613 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.532 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 38.3 t -61.18 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.0 t -117.93 102.1 8.8 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.092 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.43 152.94 96.24 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.674 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -47.48 -36.11 23.26 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.255 1.97 . . . . 0.0 112.186 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.21 -43.07 99.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.773 0.321 . . . . 0.0 110.635 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.0 t -63.73 -48.59 85.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 121.213 0.53 . . . . 0.0 110.465 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.81 -47.14 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.269 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.04 -41.55 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.426 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.38 79.49 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.511 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.2 m -61.31 -46.29 90.91 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.511 ' N ' HD12 ' A' ' 32' ' ' ILE . 1.4 mp -66.76 -42.48 89.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.576 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.5 mt -58.32 -47.97 86.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.84 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.3 -48.87 35.66 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.472 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.13 -44.58 97.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.678 0.275 . . . . 0.0 110.913 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.73 -44.69 95.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.952 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.415 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -59.57 -41.07 89.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.29 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' O ' ' CG1' ' A' ' 42' ' ' ILE . 18.7 mt -62.18 -40.2 95.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.0 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.1 mt -59.23 -48.71 85.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.662 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.684 HD11 ' CZ ' ' B' ' 45' ' ' ARG . 52.7 tp -72.27 -44.3 63.02 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.062 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -64.44 -36.51 84.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.709 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' A' ' 38' ' ' LEU . 2.8 mm -63.2 -43.52 98.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.58 -40.63 92.44 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.461 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 67.6 t0 -60.18 -36.23 77.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.519 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.622 ' CZ ' HD11 ' D' ' 40' ' ' LEU . 60.5 ttt85 -60.11 -42.51 94.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.593 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 mt -61.6 -44.56 96.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.919 0.39 . . . . 0.0 110.766 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -69.33 -40.57 77.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.566 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.487 ' CE2' ' OXT' ' B' ' 49' ' ' LYS . 87.1 m-85 -128.94 130.76 47.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.458 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.347 179.914 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.9 p . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' B' ' 21' ' ' ASP . 22.5 p30 -64.3 -35.51 81.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.484 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' B' ' 20' ' ' ASN . 43.3 p-10 -63.64 -33.93 76.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.607 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.525 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 38.7 t -61.15 -43.62 98.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.8 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 48.2 t -117.81 102.23 8.94 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.98 0.419 . . . . 0.0 110.111 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.42 153.15 96.08 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.698 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -47.57 -36.13 23.94 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.201 1.934 . . . . 0.0 112.304 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.25 -43.14 99.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.596 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.0 t -64.08 -48.19 86.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 121.177 0.513 . . . . 0.0 110.358 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.96 -47.02 94.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.215 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.04 -41.93 65.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.578 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.46 -42.56 78.39 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.589 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 55.9 m -61.03 -46.15 91.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.499 ' N ' HD12 ' B' ' 32' ' ' ILE . 1.4 mp -67.32 -42.14 87.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.452 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 68.1 mt -58.49 -47.69 87.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.746 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 1.037 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -70.55 -48.84 34.03 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.456 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.24 -44.55 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.302 . . . . 0.0 110.885 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.76 -44.65 95.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.947 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.433 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -59.63 -41.06 89.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.35 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.415 HD21 ' ND1' ' A' ' 37' ' ' HIS . 18.6 mt -62.22 -40.07 94.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.1 mt -59.19 -48.78 85.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.674 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.672 HD11 ' CZ ' ' C' ' 45' ' ' ARG . 54.3 tp -72.4 -44.17 62.86 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.042 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -64.39 -36.56 84.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.722 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.39 -43.58 98.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.3 -40.67 91.33 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.452 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' B' ' 44' ' ' ASP . 67.5 t0 -60.3 -36.28 77.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.423 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.684 ' CZ ' HD11 ' A' ' 40' ' ' LEU . 60.6 ttt85 -60.19 -42.59 95.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.61 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.38 -44.59 96.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 110.759 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -69.29 -40.93 77.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.496 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.516 ' CE2' ' OXT' ' C' ' 49' ' ' LYS . 87.4 m-85 -128.55 131.1 48.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 49' ' ' LYS . . . . . 0.487 ' OXT' ' CE2' ' A' ' 48' ' ' PHE . 87.2 tttt . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.372 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 72.6 p . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' C' C ' 20' ' ' ASN . . . . . 0.524 ' OD1' ' N ' ' C' ' 21' ' ' ASP . 22.5 p30 -64.29 -35.3 80.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.493 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' C' ' 22' ' ' SER . 44.3 p-10 -63.96 -33.68 76.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.578 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 22' ' ' SER . . . . . 0.532 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 39.0 t -61.29 -43.7 98.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.807 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 46.5 t -117.83 101.89 8.66 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.033 0.444 . . . . 0.0 110.076 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.11 153.32 96.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.682 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -47.8 -36.21 25.74 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.295 1.997 . . . . 0.0 112.196 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.17 -43.12 99.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.634 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.8 -48.41 86.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.102 0.477 . . . . 0.0 110.295 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 80.1 t -62.93 -47.68 91.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.168 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.37 -41.72 63.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.49 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.66 -42.64 79.32 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.537 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 56.8 m -61.03 -46.14 91.94 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.5 ' N ' HD12 ' C' ' 32' ' ' ILE . 1.4 mp -67.04 -42.35 88.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.471 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.43 -47.81 86.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.828 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.43 -48.78 35.21 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.48 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.26 -44.66 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.637 0.256 . . . . 0.0 111.012 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.61 -44.8 95.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.854 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.434 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.7 t60 -59.41 -41.12 88.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.425 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.433 HD21 ' ND1' ' B' ' 37' ' ' HIS . 18.7 mt -62.11 -40.33 95.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.03 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.7 mt -59.13 -48.84 85.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.551 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.673 HD11 ' CZ ' ' D' ' 45' ' ' ARG . 53.9 tp -72.15 -44.55 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.019 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -63.98 -36.76 85.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.804 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.25 -43.57 98.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.804 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.44 -40.63 91.8 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.319 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' C' ' 44' ' ' ASP . 67.3 t0 -60.11 -36.29 77.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.542 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.672 ' CZ ' HD11 ' B' ' 40' ' ' LEU . 60.6 ttt85 -60.32 -42.48 95.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.672 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 8.8 mt -61.57 -44.47 96.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.695 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -69.25 -40.77 77.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.477 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.443 ' CE2' ' OXT' ' D' ' 49' ' ' LYS . 87.7 m-85 -128.87 131.1 47.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.431 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' C' C ' 49' ' ' LYS . . . . . 0.516 ' OXT' ' CE2' ' B' ' 48' ' ' PHE . 87.3 tttt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.33 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' D' D ' 20' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' D' ' 21' ' ' ASP . 22.6 p30 -63.89 -35.59 81.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.575 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 21' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' D' ' 22' ' ' SER . 43.6 p-10 -63.67 -33.82 76.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.54 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 22' ' ' SER . . . . . 0.522 ' N ' ' OD1' ' D' ' 21' ' ' ASP . 39.1 t -61.18 -43.53 98.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 48.5 t -117.99 102.16 8.84 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.984 0.421 . . . . 0.0 110.104 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.29 153.02 96.31 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.711 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.53 -36.02 23.41 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.269 1.979 . . . . 0.0 112.249 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.29 -43.33 99.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.613 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 81.1 t -63.82 -48.44 86.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.099 0.476 . . . . 0.0 110.447 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 78.6 t -62.79 -47.34 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.2 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.94 -41.33 64.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.49 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.04 -42.46 80.53 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 53.5 m -61.0 -46.09 92.18 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.516 ' N ' HD12 ' D' ' 32' ' ' ILE . 1.4 mp -67.21 -42.17 87.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.56 -47.45 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.93 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.73 -48.64 33.8 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 120.636 -0.793 . . . . 0.0 111.478 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.38 -44.65 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.682 0.277 . . . . 0.0 110.892 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.74 -44.7 95.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.925 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.407 ' CD2' ' C ' ' D' ' 37' ' ' HIS . 7.5 t60 -59.43 -41.21 89.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.401 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.434 HD21 ' ND1' ' C' ' 37' ' ' HIS . 18.4 mt -62.03 -40.1 94.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.182 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 93.7 mt -59.21 -48.7 85.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.612 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 40' ' ' LEU . . . . . 0.622 HD11 ' CZ ' ' A' ' 45' ' ' ARG . 52.9 tp -72.45 -44.28 62.58 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.032 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -64.29 -36.67 84.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.78 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.19 -43.9 99.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.847 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 52.7 tp -60.21 -40.52 90.4 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.451 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 67.6 t0 -60.3 -36.2 77.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.458 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.673 ' CZ ' HD11 ' C' ' 40' ' ' LEU . 60.6 ttt85 -60.21 -42.6 95.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.628 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 8.8 mt -61.58 -44.38 97.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.628 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -69.39 -40.72 77.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.497 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' D' ' 45' ' ' ARG . 86.6 m-85 -128.83 131.22 47.7 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' D' D ' 49' ' ' LYS . . . . . 0.443 ' OXT' ' CE2' ' C' ' 48' ' ' PHE . 87.4 tttt . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.388 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 1.037 'BR ' ' HA3' ' B' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 p . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 40.3 p30 -65.59 -28.44 69.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.579 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.532 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 99.3 m-20 -62.5 -42.81 99.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.654 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.9 t -62.13 -43.08 99.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.448 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 t 44.77 91.43 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.312 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -50.45 148.79 6.24 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.608 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -68.68 -17.1 42.75 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.463 2.109 . . . . 0.0 111.958 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' ' 26' ' ' LEU . 9.0 mp -62.1 -43.27 99.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.616 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.49 -48.95 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.732 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.33 -44.18 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.364 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.66 -39.81 95.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.483 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.65 -49.91 69.45 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.291 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.7 t -62.32 -42.99 99.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.784 179.45 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.03 -42.36 96.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.739 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.485 HG23 HD11 ' B' ' 38' ' ' LEU . 75.3 mt -61.14 -44.4 98.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.91 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.47 -52.5 39.09 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.377 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.83 -44.37 92.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-O 120.704 0.288 . . . . 0.0 111.298 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.15 -45.88 89.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.887 0.375 . . . . 0.0 110.695 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.621 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.9 t60 -60.15 -40.48 90.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.232 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' D' ' 37' ' ' HIS . 11.1 mt -60.52 -40.07 90.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.171 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.46 -44.81 99.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.0 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.448 ' N ' HD22 ' A' ' 40' ' ' LEU . 4.1 mm? -70.51 -43.49 69.55 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.173 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.418 ' CH2' ' NH1' ' A' ' 45' ' ' ARG . 73.5 t90 -69.27 -46.91 66.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.693 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.531 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.1 tt -65.2 -40.79 89.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.194 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.413 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 49.4 tp -62.73 -40.88 98.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.524 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -56.4 -45.84 80.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.411 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 48' ' ' PHE . 82.6 mtp180 -64.41 -20.86 66.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.685 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.5 tt -61.49 -45.52 93.9 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.886 0.374 . . . . 0.0 110.149 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -62.29 -45.17 94.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.74 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' A' ' 45' ' ' ARG . 97.0 m-85 -130.77 135.8 48.11 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.495 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.592 -179.867 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' B' ' 21' ' ' ASP . 40.2 p30 -65.52 -28.49 69.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.608 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.532 ' N ' ' OD1' ' B' ' 20' ' ' ASN . 99.4 m-20 -62.51 -42.78 99.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.662 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 36.9 t -62.1 -43.1 99.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.454 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t 44.77 91.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.191 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -50.5 148.79 6.34 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.574 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -68.65 -17.09 42.9 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 122.477 2.118 . . . . 0.0 112.001 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.529 ' N ' HD12 ' B' ' 26' ' ' LEU . 9.1 mp -62.11 -43.3 99.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.591 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.5 -48.75 83.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.982 0.42 . . . . 0.0 110.782 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.9 t -65.45 -44.09 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.381 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.9 95.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.363 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.48 -50.03 68.72 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.332 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -62.38 -42.91 99.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.797 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.06 -42.37 96.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.72 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.454 HG23 HD11 ' C' ' 38' ' ' LEU . 75.2 mt -61.1 -44.47 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.832 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.61 -52.42 39.21 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.281 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.75 -44.6 93.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.664 0.268 . . . . 0.0 111.158 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.93 -45.98 89.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.708 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.611 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -60.23 -40.39 90.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.265 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.621 HD21 ' ND1' ' A' ' 37' ' ' HIS . 11.1 mt -60.59 -40.02 90.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.38 -44.83 99.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.102 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.439 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.1 mm? -70.56 -43.66 69.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.231 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.42 ' CH2' ' NH1' ' B' ' 45' ' ' ARG . 73.5 t90 -68.99 -47.1 66.38 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.635 -179.292 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.531 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.1 tt -65.04 -40.92 90.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.28 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 49.0 tp -62.77 -40.89 98.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.428 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -56.72 -45.42 81.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.369 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' B' ' 48' ' ' PHE . 82.4 mtp180 -64.57 -20.9 66.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.69 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.622 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.4 tt -61.47 -45.52 93.93 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.89 0.376 . . . . 0.0 110.137 -179.314 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -62.22 -45.2 94.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.839 0.352 . . . . 0.0 110.788 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.436 ' O ' ' O ' ' B' ' 45' ' ' ARG . 97.0 m-85 -130.79 135.79 48.08 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.505 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.535 -179.889 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 19.9 p . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 20' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' C' ' 21' ' ' ASP . 40.2 p30 -65.56 -28.43 69.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' C' ' 20' ' ' ASN . 99.3 m-20 -62.57 -42.71 99.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 37.1 t -62.13 -43.2 99.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 2.4 t 44.86 91.46 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.216 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -50.37 148.72 6.19 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.601 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -68.63 -17.24 42.98 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 122.394 2.063 . . . . 0.0 111.98 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.534 ' N ' HD12 ' C' ' 26' ' ' LEU . 9.0 mp -61.92 -43.35 99.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.624 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.56 -48.75 83.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.945 0.402 . . . . 0.0 110.732 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.42 -44.17 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.405 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.96 95.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.453 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.13 68.64 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.222 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -62.22 -42.99 99.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.803 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.85 -42.55 96.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.443 HG23 HD11 ' D' ' 38' ' ' LEU . 75.7 mt -61.12 -44.39 98.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.821 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 34' ' ' GLY . . . . . 0.902 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -65.42 -52.6 38.45 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.353 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.81 -44.51 92.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 120.677 0.275 . . . . 0.0 111.197 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.99 -46.04 89.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.9 0.381 . . . . 0.0 110.75 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -60.12 -40.32 89.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.236 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.611 HD21 ' ND1' ' B' ' 37' ' ' HIS . 11.0 mt -60.59 -40.06 90.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.241 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.33 -45.0 99.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.987 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.45 ' N ' HD22 ' C' ' 40' ' ' LEU . 4.1 mm? -70.46 -43.37 69.98 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.205 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.41 ' CH2' ' NH1' ' C' ' 45' ' ' ARG . 73.3 t90 -69.29 -47.04 65.72 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 111.709 0.262 . . . . 0.0 111.709 -179.218 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.537 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.1 tt -65.0 -40.85 90.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.928 0.394 . . . . 0.0 110.303 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.403 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 48.5 tp -62.79 -40.86 98.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.457 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -56.68 -45.59 81.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.357 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' C' ' 48' ' ' PHE . 82.5 mtp180 -64.52 -20.87 66.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.665 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.629 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.5 tt -61.43 -45.61 93.57 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 120.92 0.391 . . . . 0.0 110.158 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -62.18 -45.15 94.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.804 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' C' ' 45' ' ' ARG . 97.0 m-85 -130.94 135.8 47.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.414 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.526 -179.869 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 19.9 p . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' D' D ' 20' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' D' ' 21' ' ' ASP . 40.5 p30 -65.4 -28.54 69.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.599 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 21' ' ' ASP . . . . . 0.533 ' N ' ' OD1' ' D' ' 20' ' ' ASN . 99.4 m-20 -62.55 -42.69 99.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.565 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 37.1 t -62.16 -43.22 99.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.391 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 2.4 t 44.85 91.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.32 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -50.43 148.78 6.22 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.629 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.67 -17.13 42.81 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 122.418 2.079 . . . . 0.0 111.959 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.537 ' N ' HD12 ' D' ' 26' ' ' LEU . 9.1 mp -62.1 -43.26 99.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.564 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.43 -48.94 83.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.701 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.36 -44.25 94.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.35 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.92 95.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.457 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.61 -49.94 69.26 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.244 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -62.4 -42.98 99.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.722 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.09 -42.34 96.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.704 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.463 HG23 HD11 ' A' ' 38' ' ' LEU . 75.0 mt -60.97 -44.52 98.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.912 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.52 -52.43 39.49 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.552 -0.832 . . . . 0.0 111.316 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.87 -44.5 92.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.656 0.265 . . . . 0.0 111.212 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.92 -46.02 89.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.809 0.338 . . . . 0.0 110.726 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -60.25 -40.46 90.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.233 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' C' ' 37' ' ' HIS . 11.3 mt -60.41 -40.0 89.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.55 -44.82 99.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.084 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 40' ' ' LEU . . . . . 0.439 HD22 ' N ' ' D' ' 40' ' ' LEU . 4.1 mm? -70.38 -43.57 69.82 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.218 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.421 ' CH2' ' NH1' ' D' ' 45' ' ' ARG . 73.5 t90 -69.24 -46.97 66.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.768 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.538 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.1 tt -64.99 -40.92 90.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.919 0.39 . . . . 0.0 110.302 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 49.5 tp -62.68 -40.84 98.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.561 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -56.81 -45.36 82.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.356 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' D' ' 48' ' ' PHE . 82.4 mtp180 -64.63 -20.87 66.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.663 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.614 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.5 tt -61.39 -45.51 94.07 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.974 0.416 . . . . 0.0 110.147 -179.298 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -62.4 -45.02 95.02 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.708 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.429 ' O ' ' O ' ' D' ' 45' ' ' ARG . 97.0 m-85 -130.89 135.68 47.91 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.457 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.565 -179.92 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 0.902 'BR ' ' HA3' ' C' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -64.41 -40.84 96.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.643 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -63.33 -42.63 98.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.518 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -60.55 -43.83 96.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.556 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 97.3 p -71.42 88.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.472 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -61.48 150.87 79.43 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.623 -179.323 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -40.41 -22.9 0.12 Allowed 'Trans proline' 0 C--N 1.315 -1.199 0 C-N-CA 122.449 2.1 . . . . 0.0 112.35 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.9 mm? -62.2 -43.08 99.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.65 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 81.6 t -63.52 -48.86 85.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.663 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.1 t -66.35 -45.08 90.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.549 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.39 85.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.631 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.66 79.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.872 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.3 p -63.09 -39.97 96.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.809 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.94 -43.32 97.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.623 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 80.8 mt -57.47 -44.27 84.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.786 -178.893 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.6 -46.45 47.26 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.659 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.99 -50.75 78.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 111.196 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.24 -43.07 99.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.234 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -60.28 -40.44 90.42 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.416 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.662 HD21 ' ND1' ' D' ' 37' ' ' HIS . 12.9 mt -61.25 -40.11 92.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.085 -179.318 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.07 -44.87 99.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.284 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt -72.74 -44.16 62.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.04 0.448 . . . . 0.0 110.805 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -65.43 -36.01 82.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.813 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mm -63.65 -44.67 98.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.463 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.0 mt -61.98 -41.14 97.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.575 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -58.13 -45.69 86.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.555 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 48' ' ' PHE . 72.6 ttt180 -65.56 -23.2 66.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.876 0.369 . . . . 0.0 110.516 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.2 tt -63.11 -45.2 93.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.13 0.49 . . . . 0.0 110.384 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -60.76 -44.96 96.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.711 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' A' ' 45' ' ' ARG . 96.6 m-85 -126.56 130.76 51.18 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.478 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.353 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -64.58 -40.86 96.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.619 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -63.42 -42.79 98.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.495 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 40.4 t -60.45 -43.78 96.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.54 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 92.3 p -71.37 88.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.625 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' B' ' 26' ' ' LEU . 0.8 OUTLIER -61.08 150.97 77.02 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.683 -179.302 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -40.61 -23.11 0.13 Allowed 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 122.632 2.221 . . . . 0.0 112.184 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.533 ' N ' HD22 ' B' ' 26' ' ' LEU . 3.9 mm? -61.93 -42.9 99.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.702 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 82.8 t -63.55 -48.73 85.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.652 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.6 t -66.69 -44.75 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.648 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.04 -44.09 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.707 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 30' ' ' ALA . . . . . 0.412 ' O ' 'BR ' ' C' ' 100' ' ' 3LW . . . -56.81 -47.6 79.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.797 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 78.0 p -63.28 -40.35 97.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.61 -43.68 98.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.413 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 80.4 mt -57.09 -44.51 83.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.855 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.671 ' CA ' 'BR ' ' C' ' 100' ' ' 3LW . . . -70.2 -46.51 49.93 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.643 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.16 -50.22 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.841 0.353 . . . . 0.0 111.293 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.8 -42.61 97.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.206 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.644 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.3 t60 -60.72 -40.51 92.62 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.274 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' A' ' 37' ' ' HIS . 12.9 mt -61.04 -40.18 92.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.051 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.25 -44.89 99.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.233 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.87 -44.22 61.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.032 0.444 . . . . 0.0 110.796 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -65.43 -35.56 81.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.72 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mm -63.93 -44.72 98.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.39 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.97 -41.13 97.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -58.14 -45.65 87.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.566 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' B' ' 48' ' ' PHE . 72.7 ttt180 -65.44 -23.71 67.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 0.0 110.576 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.643 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.2 tt -62.77 -45.41 92.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.17 0.51 . . . . 0.0 110.325 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -60.5 -45.11 94.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.669 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' B' ' 45' ' ' ARG . 96.6 m-85 -126.48 130.38 50.52 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.5 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.359 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -64.5 -41.01 96.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.626 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -63.17 -42.34 99.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.633 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 39.2 t -61.04 -43.46 98.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 99.8 p -71.61 88.47 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.504 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 24' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' C' ' 26' ' ' LEU . 0.8 OUTLIER -61.38 150.89 78.84 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.585 -179.252 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -40.34 -22.99 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.157 0 C-N-CA 122.532 2.155 . . . . 0.0 112.279 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.532 HD22 ' N ' ' C' ' 26' ' ' LEU . 3.9 mm? -62.11 -43.2 99.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.32 -49.09 84.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.544 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 93.1 t -66.25 -45.02 90.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.552 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.76 -44.15 85.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.709 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.83 -47.83 79.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.82 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -62.93 -40.36 97.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.772 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.59 -43.31 98.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.497 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.62 -44.35 85.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.901 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.42 -46.38 49.01 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.541 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.06 -50.36 79.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.893 0.377 . . . . 0.0 111.346 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.66 -42.65 98.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.125 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.667 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -60.67 -40.29 91.57 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.387 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.644 HD21 ' ND1' ' B' ' 37' ' ' HIS . 12.8 mt -61.37 -39.92 92.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.989 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.41 -45.1 99.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.312 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -72.65 -44.26 62.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.987 0.423 . . . . 0.0 110.723 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -65.27 -35.95 82.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.772 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mm -63.71 -44.63 98.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.464 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.86 -41.21 97.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.65 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -58.24 -45.64 87.41 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.535 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' C' ' 48' ' ' PHE . 73.6 ttt180 -65.57 -23.45 66.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.457 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.647 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.2 tt -62.88 -45.01 94.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.217 0.532 . . . . 0.0 110.308 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -60.97 -44.66 97.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.703 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.445 ' O ' ' O ' ' C' ' 45' ' ' ARG . 96.6 m-85 -127.04 130.86 50.77 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.925 0.393 . . . . 0.0 110.348 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.415 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -64.71 -40.7 95.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.542 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -63.58 -42.72 98.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.584 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 41.1 t -60.44 -43.66 96.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.589 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 93.9 p -71.58 88.7 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.442 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 24' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' D' ' 26' ' ' LEU . 0.8 OUTLIER -61.42 151.05 78.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.766 -179.354 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -40.82 -22.72 0.13 Allowed 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 122.628 2.218 . . . . 0.0 112.144 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.521 ' N ' HD22 ' D' ' 26' ' ' LEU . 3.9 mm? -62.01 -43.37 98.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.726 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.36 -48.84 85.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.596 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.0 t -66.34 -45.16 90.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.586 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.47 -44.65 85.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.574 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.33 -47.95 77.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.807 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 76.7 p -62.9 -40.54 97.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.56 -43.58 98.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.552 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 80.5 mt -57.26 -44.17 83.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.94 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.55 -46.52 47.22 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.694 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.93 -50.57 79.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.872 0.367 . . . . 0.0 111.215 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.49 -42.96 98.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.217 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.662 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -60.27 -40.56 90.81 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.228 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.667 HD21 ' ND1' ' C' ' 37' ' ' HIS . 13.2 mt -61.13 -40.08 92.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.144 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.15 -44.92 99.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.309 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -72.73 -44.15 62.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.186 0.517 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -65.56 -35.64 81.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.806 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mm -63.93 -44.77 98.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.316 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 73.8 mt -61.85 -41.26 97.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -58.26 -45.4 87.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.608 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' D' ' 48' ' ' PHE . 72.7 ttt180 -65.57 -23.7 66.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.912 0.387 . . . . 0.0 110.453 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.635 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.2 tt -62.89 -44.96 94.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.212 0.529 . . . . 0.0 110.341 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -60.96 -44.6 97.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.685 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.426 ' O ' ' O ' ' D' ' 45' ' ' ARG . 96.6 m-85 -126.95 130.31 49.83 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.458 179.904 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 0.671 'BR ' ' CA ' ' B' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -63.44 -40.08 96.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.664 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -62.2 -37.92 87.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.577 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.5 m -59.9 -42.64 94.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.623 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.5 m -143.24 114.11 7.66 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.935 0.398 . . . . 0.0 110.273 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -77.54 150.51 79.49 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.525 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.09 -14.52 38.38 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.902 2.402 . . . . 0.0 112.04 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.1 mt -59.17 -43.6 92.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.906 -178.749 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 28' ' ' VAL . 3.2 m -65.87 -41.78 90.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.184 0.516 . . . . 0.0 110.53 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.462 ' N ' HG23 ' A' ' 27' ' ' VAL . 87.9 t -62.17 -44.23 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.249 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -37.39 86.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.225 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.03 -48.3 70.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.597 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 77.1 p -66.05 -40.4 90.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.984 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.11 -42.36 94.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.714 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.8 mt -59.45 -43.89 91.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.573 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.78 -48.19 79.21 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.403 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 4.8 mm -65.99 -48.41 81.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.997 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.9 tp -59.53 -45.42 91.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.057 0.456 . . . . 0.0 111.226 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.526 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.7 t60 -59.22 -37.53 77.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.303 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.38 -41.0 96.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.403 ' CD1' ' O ' ' A' ' 35' ' ' ILE . 1.7 mp -59.62 -45.06 94.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.201 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -72.0 -43.82 64.46 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.231 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 79.6 t90 -67.34 -39.88 85.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.032 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mm -63.34 -43.75 98.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.174 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.55 -39.71 94.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.28 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -53.42 -45.34 69.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.23 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -59.71 -31.23 69.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.469 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.614 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.4 tt -59.46 -47.52 85.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.081 0.467 . . . . 0.0 110.226 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -61.08 -45.89 92.87 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.65 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -137.28 141.68 41.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.253 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.8 mttp . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.461 179.876 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -63.33 -40.23 96.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -62.15 -38.19 88.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.511 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 60.1 m -59.67 -42.62 93.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.616 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -143.24 114.21 7.72 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.913 0.387 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.404 ' O ' HG22 ' B' ' 27' ' ' VAL . 28.4 m-20 -77.63 150.69 79.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.524 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.18 -14.64 38.29 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.837 2.358 . . . . 0.0 112.069 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.18 -43.47 92.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.824 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.469 HG23 ' N ' ' B' ' 28' ' ' VAL . 3.2 m -65.86 -41.95 91.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.306 0.575 . . . . 0.0 110.636 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.469 ' N ' HG23 ' B' ' 27' ' ' VAL . 83.5 t -62.24 -44.06 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.246 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.38 86.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.359 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.9 -47.98 70.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.601 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 78.0 p -66.28 -40.83 90.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.55 -42.45 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.733 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 67.1 mt -59.42 -43.79 91.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.633 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.872 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -63.88 -48.51 75.67 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mm -65.61 -48.57 82.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.97 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.56 -45.03 93.03 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.114 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.429 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 8.2 t60 -59.44 -37.83 79.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.288 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.526 HD21 ' ND1' ' A' ' 37' ' ' HIS . 13.6 mt -61.19 -40.77 95.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.844 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.78 -45.46 94.68 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.163 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.77 -43.89 64.95 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.074 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.425 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 79.2 t90 -67.09 -39.99 86.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.948 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' B' ' 38' ' ' LEU . 4.2 mm -63.42 -43.63 98.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.209 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.54 -39.61 94.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.238 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -53.53 -45.31 69.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.236 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -59.73 -31.03 69.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.671 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.606 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.4 tt -59.68 -47.12 86.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.106 0.479 . . . . 0.0 110.287 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -61.46 -45.9 92.31 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.695 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -137.16 141.44 42.2 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.333 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.0 mttp . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.432 179.813 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -63.0 -40.09 96.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.658 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -62.15 -38.05 87.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.618 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 61.6 m -59.79 -42.56 93.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.561 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 58.5 m -143.33 114.23 7.69 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.946 0.403 . . . . 0.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -77.62 150.54 79.29 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.435 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.03 -14.63 38.78 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.821 2.347 . . . . 0.0 112.039 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.2 -44.06 92.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.888 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.464 HG23 ' N ' ' C' ' 28' ' ' VAL . 3.0 m -65.36 -42.06 92.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.116 0.484 . . . . 0.0 110.497 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.464 ' N ' HG23 ' C' ' 27' ' ' VAL . 81.2 t -61.78 -44.8 99.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.217 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.5 85.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.341 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.97 -48.15 70.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.64 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 77.8 p -65.99 -40.61 91.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.927 0.394 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.8 -42.38 94.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.731 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.4 -43.86 91.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.528 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.69 -48.49 76.74 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 4.6 mm -65.71 -48.59 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.928 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -59.4 -45.16 92.25 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.158 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.511 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.7 t60 -59.42 -37.75 78.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.337 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.406 ' O ' ' CG1' ' C' ' 42' ' ' ILE . 13.6 mt -61.34 -40.87 95.85 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.8 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.58 -45.32 94.18 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.143 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.94 -43.88 64.53 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.07 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 79.5 t90 -67.12 -39.97 86.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.082 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' C' ' 38' ' ' LEU . 4.3 mm -63.4 -43.69 98.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.187 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.55 -39.82 94.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.296 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -53.25 -45.48 68.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.281 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -59.59 -31.42 69.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.526 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.606 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.4 tt -59.32 -47.35 85.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.065 0.46 . . . . 0.0 110.232 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -61.18 -45.89 92.73 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.735 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -137.22 141.54 42.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.286 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 60.1 mttp . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.46 179.901 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 13.9 t . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -62.91 -39.96 96.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.476 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -62.4 -38.24 88.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 60.0 m -59.72 -42.15 92.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.688 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 58.3 m -143.61 114.09 7.5 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.346 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -77.76 150.42 78.69 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.475 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -68.8 -14.75 39.65 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.866 2.378 . . . . 0.0 112.103 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.13 -43.75 91.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.824 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.472 HG23 ' N ' ' D' ' 28' ' ' VAL . 3.1 m -65.44 -42.42 93.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.129 0.49 . . . . 0.0 110.51 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 28' ' ' VAL . . . . . 0.472 ' N ' HG23 ' D' ' 27' ' ' VAL . 84.5 t -61.79 -44.79 99.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.244 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.84 -37.69 85.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.391 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.81 -48.54 69.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 74.1 p -65.54 -40.99 93.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.033 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.61 -42.27 94.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.678 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.54 -43.82 91.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.622 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.05 -47.82 81.7 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.29 -48.4 81.2 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.002 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.79 -44.8 93.77 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.131 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.423 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 8.4 t60 -59.39 -37.91 79.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.275 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.511 HD21 ' ND1' ' C' ' 37' ' ' HIS . 13.6 mt -61.28 -40.65 94.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.818 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.73 -45.32 94.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.16 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 85.9 mt -72.17 -43.8 64.02 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.075 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 79.2 t90 -67.19 -40.12 86.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.979 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.405 ' CG1' ' O ' ' D' ' 38' ' ' LEU . 4.2 mm -63.28 -43.58 98.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.218 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.5 -39.86 94.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.234 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -53.19 -45.77 68.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.166 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' D' ' 48' ' ' PHE . 82.3 mtp180 -59.31 -31.34 69.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.649 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.606 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.4 tt -59.35 -47.52 85.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.156 0.503 . . . . 0.0 110.31 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -61.21 -45.55 94.09 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.553 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' D' ' 45' ' ' ARG . 98.5 m-85 -137.44 142.03 41.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.232 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mttp . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.492 179.912 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 0.872 'BR ' ' HA3' ' B' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -83.55 116.22 22.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.586 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -72.32 -11.2 60.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.537 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.2 m -60.17 -38.24 82.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.456 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p 74.6 132.94 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.181 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 1.1 p-10 -75.8 150.26 83.78 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.741 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.04 -16.39 36.36 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.478 2.118 . . . . 0.0 112.017 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.5 mt -61.57 -45.82 92.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.92 -179.022 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 27' ' ' VAL . 2.7 p -71.12 -35.37 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.933 0.397 . . . . 0.0 110.621 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.59 -45.57 97.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.431 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.86 89.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.462 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.424 ' HB1' ' S ' ' C' ' 100' ' ' 3LW . . . -53.85 -50.29 66.57 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.662 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 62.7 m -61.72 -42.58 99.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.705 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.01 -42.7 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.766 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.85 -44.51 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.842 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.87 -51.5 39.83 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.9 -43.48 96.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.7 0.286 . . . . 0.0 111.048 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.46 -45.86 92.51 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 110.613 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.588 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.2 t60 -61.1 -40.18 92.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.32 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.578 HD21 ' ND1' ' D' ' 37' ' ' HIS . 9.6 mt -60.98 -39.08 88.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.8 mt -60.79 -46.8 95.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 120.061 -0.655 . . . . 0.0 110.056 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 mt -70.15 -44.7 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.333 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 82.2 t90 -66.41 -36.67 83.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.116 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.7 -44.29 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.11 -40.19 92.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.489 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -56.62 -44.05 80.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.863 0.364 . . . . 0.0 110.331 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 48' ' ' PHE . 60.2 ttt85 -60.89 -40.67 93.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.2 tt -60.41 -45.68 92.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.97 0.414 . . . . 0.0 110.21 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -61.8 -44.86 96.03 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.467 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' A' ' 45' ' ' ARG . 98.4 m-85 -136.96 140.04 41.93 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.388 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.532 179.835 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -83.43 116.3 22.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.581 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -72.47 -11.31 60.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.57 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' B' ' 23' ' ' SER . 66.2 m -59.99 -38.37 82.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.511 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 23' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' B' ' 22' ' ' SER . 3.0 p 74.81 133.19 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.141 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 1.1 p-10 -75.92 150.21 83.46 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.668 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.01 -16.45 36.5 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.438 2.092 . . . . 0.0 111.946 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.57 -45.76 92.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.789 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 p -71.02 -35.71 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.932 0.396 . . . . 0.0 110.737 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.44 -45.43 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.448 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.78 88.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.01 -50.11 67.36 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.559 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 66.4 m -61.81 -42.57 99.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 110.649 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.88 -42.83 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.772 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.67 -44.75 99.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.801 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.69 -51.41 41.55 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.96 -43.58 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.723 0.297 . . . . 0.0 110.917 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.43 -45.86 92.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.918 0.39 . . . . 0.0 110.659 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.59 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -61.16 -40.27 93.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.282 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.588 HD21 ' ND1' ' A' ' 37' ' ' HIS . 10.0 mt -60.89 -38.97 87.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.97 -46.83 95.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.106 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.5 mt -70.29 -44.62 67.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.315 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 81.9 t90 -66.33 -36.81 83.86 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.018 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.62 -44.19 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.28 -40.22 93.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.376 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -56.69 -43.81 80.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 110.31 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' B' ' 48' ' ' PHE . 60.1 ttt85 -61.0 -40.61 94.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.799 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.625 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.2 tt -60.66 -45.5 93.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 110.185 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -61.79 -44.87 96.01 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.472 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' B' ' 45' ' ' ARG . 98.5 m-85 -136.89 140.12 42.11 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.495 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.872 -1.061 . . . . 0.0 110.536 179.824 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -83.5 116.17 22.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.538 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -72.41 -11.29 60.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.621 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 66.1 m -59.91 -38.45 82.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.523 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p 74.88 132.95 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.147 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 24' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' C' ' 24' ' ' ASP . 1.2 p-10 -75.77 150.09 83.72 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.785 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.83 -16.45 37.25 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.552 2.168 . . . . 0.0 111.965 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 53.6 mt -61.66 -45.77 92.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.424 HG12 ' H ' ' C' ' 27' ' ' VAL . 2.7 p -71.1 -35.4 58.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.989 0.423 . . . . 0.0 110.589 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.64 -45.55 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.391 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.76 88.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.488 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.0 -50.15 67.24 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.717 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 66.2 m -61.79 -42.61 99.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.625 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.04 -42.65 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.754 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.81 -44.64 99.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.808 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.72 -51.41 41.37 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.323 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.96 -43.55 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.727 0.299 . . . . 0.0 110.934 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.49 -45.71 93.1 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.935 0.397 . . . . 0.0 110.68 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.591 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.2 t60 -61.29 -40.12 92.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.237 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.59 HD21 ' ND1' ' B' ' 37' ' ' HIS . 10.0 mt -60.95 -39.11 88.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.0 mt -60.77 -46.82 95.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.102 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.8 mt -70.23 -44.52 68.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.288 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.427 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 82.5 t90 -66.47 -36.77 83.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.167 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.62 -44.19 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 78.2 mt -61.1 -40.42 93.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.468 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -56.68 -43.8 80.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 110.24 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' C' ' 48' ' ' PHE . 60.2 ttt85 -60.99 -40.78 94.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.742 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.628 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.2 tt -60.54 -45.49 93.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.838 0.351 . . . . 0.0 110.269 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -61.8 -44.83 96.09 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.514 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' C' ' 45' ' ' ARG . 98.5 m-85 -136.91 140.17 42.1 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.525 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.563 179.794 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -83.44 116.3 22.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.534 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -72.46 -11.18 60.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.613 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 22' ' ' SER . . . . . 0.408 ' O ' ' OG ' ' D' ' 23' ' ' SER . 67.0 m -60.11 -38.36 82.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.472 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 23' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' D' ' 22' ' ' SER . 2.9 p 74.77 133.09 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.215 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -75.96 150.02 83.2 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.653 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.81 -16.56 37.39 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.555 2.17 . . . . 0.0 111.926 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 53.5 mt -61.57 -45.77 92.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.923 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.412 HG12 ' H ' ' D' ' 27' ' ' VAL . 2.6 p -71.12 -35.63 59.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.909 0.385 . . . . 0.0 110.656 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.27 -45.57 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.361 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.78 88.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.514 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.94 -50.14 67.12 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.642 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 62.5 m -61.77 -42.59 99.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.844 0.354 . . . . 0.0 110.729 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.02 -42.67 96.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.669 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.73 -44.74 99.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.821 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.76 -51.4 41.2 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.93 -43.57 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.665 0.269 . . . . 0.0 111.001 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.38 -45.85 92.65 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.909 0.385 . . . . 0.0 110.65 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.578 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -61.24 -40.24 93.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.31 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.591 HD21 ' ND1' ' C' ' 37' ' ' HIS . 9.9 mt -60.82 -39.04 87.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.791 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.76 -46.89 95.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.154 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.6 mt -70.19 -44.81 67.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.33 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 82.3 t90 -66.19 -36.75 83.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.058 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.59 -44.33 98.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.17 -40.27 93.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -56.67 -43.96 80.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.333 . . . . 0.0 110.251 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' D' ' 48' ' ' PHE . 60.4 ttt85 -60.96 -40.63 94.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.622 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.2 tt -60.52 -45.58 93.31 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.209 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -61.7 -44.89 96.06 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.504 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.43 ' O ' ' O ' ' D' ' 45' ' ' ARG . 98.4 m-85 -136.9 140.14 42.1 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.486 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.911 -1.043 . . . . 0.0 110.662 179.691 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 0.424 ' S ' ' HB1' ' A' ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.436 ' O ' ' OD1' ' A' ' 21' ' ' ASP . 75.8 m-20 -63.82 -43.95 94.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.763 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 96.6 m-20 -138.13 1.58 2.25 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.679 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.458 ' C ' ' H ' ' A' ' 24' ' ' ASP . 96.9 p -61.42 -34.1 74.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.677 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.0 m -76.1 33.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.443 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 22' ' ' SER . 26.2 m-20 -48.72 150.07 2.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.793 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -67.87 -21.55 43.92 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.645 2.23 . . . . 0.0 111.992 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.53 ' N ' HD12 ' A' ' 26' ' ' LEU . 9.4 mp -62.59 -42.39 99.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.426 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.7 t -62.82 -46.91 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.937 0.399 . . . . 0.0 110.544 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.21 -44.26 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.421 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -40.81 93.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.542 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.14 -49.14 72.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.726 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.8 m -61.82 -42.39 98.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.788 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.28 -42.24 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.727 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.552 HG23 HD11 ' B' ' 38' ' ' LEU . 79.5 mt -60.06 -42.61 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.816 ' CA ' 'BR ' ' C' ' 100' ' ' 3LW . . . -60.52 -53.8 42.48 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.232 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.2 mm -67.68 -44.84 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.745 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.76 -45.31 94.43 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.933 0.397 . . . . 0.0 110.929 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.513 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -64.76 -40.81 95.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.469 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.595 HD11 HG23 ' D' ' 33' ' ' ILE . 13.9 mt -61.64 -41.52 97.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.81 -48.18 86.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.491 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.2 mt -70.99 -42.78 69.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.94 0.4 . . . . 0.0 111.104 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -66.89 -35.43 80.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.021 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.11 -43.95 99.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.853 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -61.79 -43.09 99.53 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.157 0.504 . . . . 0.0 110.278 -178.399 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 62.8 t0 -62.28 -39.58 93.42 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.632 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 64.0 ttt-85 -67.74 -17.02 64.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.515 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 tp -61.29 -42.1 98.08 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.38 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -95.16 39.86 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.97 0.414 . . . . 0.0 110.613 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -46.3 157.24 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.37 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.463 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 26.2 p . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' B' ' 21' ' ' ASP . 75.9 m-20 -63.84 -43.58 95.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.7 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' B' ' 20' ' ' ASN . 95.7 m-20 -138.2 1.5 2.23 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.619 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.457 ' C ' ' H ' ' B' ' 24' ' ' ASP . 99.4 p -61.08 -34.49 75.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.691 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 68.6 m -76.08 34.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.433 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' B' ' 22' ' ' SER . 25.8 m-20 -49.48 150.05 3.66 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.739 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.71 -21.76 44.65 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 122.727 2.284 . . . . 0.0 111.979 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.531 ' N ' HD12 ' B' ' 26' ' ' LEU . 9.3 mp -62.55 -42.46 99.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.498 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 82.8 t -62.76 -46.76 95.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.023 0.439 . . . . 0.0 110.555 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 87.4 t -64.27 -44.4 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.452 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.04 93.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.491 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.77 -49.31 71.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.671 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.0 m -61.7 -42.52 99.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.29 -42.27 95.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.657 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.592 HG23 HD11 ' C' ' 38' ' ' LEU . 80.8 mt -60.05 -42.84 91.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.628 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.29 -53.22 47.43 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.175 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 35.9 mm -68.06 -44.8 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.817 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.94 -45.18 94.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.696 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -64.66 -40.77 96.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.437 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.552 HD11 HG23 ' A' ' 33' ' ' ILE . 13.9 mt -61.87 -41.42 97.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.169 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.0 -48.03 87.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.498 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -71.11 -43.06 68.43 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.968 0.413 . . . . 0.0 111.055 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -66.79 -35.46 80.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.84 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.0 -43.97 99.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.868 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.553 ' O ' HD13 ' B' ' 43' ' ' LEU . 0.2 OUTLIER -61.72 -42.96 99.64 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.335 -178.476 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' B' ' 44' ' ' ASP . 63.9 t0 -62.58 -39.29 93.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.67 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 63.5 ttt-85 -67.75 -16.91 64.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.098 0.475 . . . . 0.0 110.659 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 11.0 tp -61.4 -41.96 97.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.515 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -95.37 39.67 1.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.531 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -45.93 157.33 0.12 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.398 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.443 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 33.1 p . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 20' ' ' ASN . . . . . 0.424 ' O ' ' OD1' ' C' ' 21' ' ' ASP . 75.7 m-20 -63.81 -43.54 95.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.692 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' C' ' 20' ' ' ASN . 96.4 m-20 -138.19 1.66 2.24 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.647 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 22' ' ' SER . . . . . 0.445 ' C ' ' H ' ' C' ' 24' ' ' ASP . 94.4 p -61.46 -33.99 74.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.626 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 66.4 m -76.51 34.6 0.14 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.415 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 24' ' ' ASP . . . . . 0.445 ' H ' ' C ' ' C' ' 22' ' ' SER . 27.1 m-20 -49.47 150.27 3.49 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.81 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.7 -21.91 44.47 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.718 2.279 . . . . 0.0 112.025 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.526 ' N ' HD12 ' C' ' 26' ' ' LEU . 9.3 mp -62.44 -42.59 99.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.75 -46.87 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.49 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 88.2 t -64.12 -44.23 97.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.424 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.68 94.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.506 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.35 -48.97 73.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.659 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 56.5 m -61.9 -42.48 99.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.763 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.17 -42.16 95.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.644 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.569 HG23 HD11 ' D' ' 38' ' ' LEU . 80.7 mt -60.25 -42.8 91.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.558 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.4 -53.57 44.44 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.104 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 36.1 mm -67.76 -45.3 84.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.3 -45.21 95.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -64.78 -40.67 95.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.441 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.696 HD21 ' ND1' ' B' ' 37' ' ' HIS . 13.9 mt -61.83 -41.37 97.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.226 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 80.9 mt -59.06 -47.52 89.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.407 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.65 -43.15 66.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.984 0.421 . . . . 0.0 111.13 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -66.54 -35.49 80.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.824 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.0 -44.22 99.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.861 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.564 ' O ' HD13 ' C' ' 43' ' ' LEU . 0.2 OUTLIER -61.46 -43.52 98.73 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.296 -0.561 . . . . 0.0 110.288 -178.351 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' C' ' 44' ' ' ASP . 63.7 t0 -61.8 -39.29 91.2 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.634 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 63.9 ttt-85 -67.95 -16.71 64.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.586 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 tp -61.57 -42.09 98.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.379 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -95.15 39.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.514 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -46.25 157.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.338 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.942 -1.027 . . . . 0.0 110.392 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 32.7 p . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' D' D ' 20' ' ' ASN . . . . . 0.431 ' O ' ' OD1' ' D' ' 21' ' ' ASP . 76.3 m-20 -64.05 -43.63 94.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.66 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 21' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' D' ' 20' ' ' ASN . 97.0 m-20 -138.51 2.08 2.21 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.549 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 22' ' ' SER . . . . . 0.453 ' C ' ' H ' ' D' ' 24' ' ' ASP . 95.8 p -61.56 -34.48 75.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.598 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 67.9 m -75.95 33.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.466 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 24' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' D' ' 22' ' ' SER . 25.8 m-20 -48.83 150.23 2.73 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.702 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.01 -21.54 43.11 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.677 2.251 . . . . 0.0 112.043 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.524 ' N ' HD12 ' D' ' 26' ' ' LEU . 9.3 mp -62.61 -42.26 99.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.539 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 90.6 t -62.96 -47.08 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.526 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 90.5 t -63.88 -44.43 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.459 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.97 93.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.588 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.08 -49.04 72.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.667 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 58.5 m -61.73 -42.48 99.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.797 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.22 -42.09 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.719 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.595 HG23 HD11 ' A' ' 38' ' ' LEU . 80.3 mt -60.24 -42.81 91.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.59 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.54 -53.5 44.92 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 35.8 mm -67.81 -45.05 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.756 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.8 -45.13 95.18 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.923 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.553 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -64.68 -40.81 96.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.315 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.592 HD21 ' ND1' ' C' ' 37' ' ' HIS . 13.8 mt -61.66 -41.6 97.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.275 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 80.7 mt -58.96 -47.76 88.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.389 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.22 -42.85 68.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.973 0.416 . . . . 0.0 111.055 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -67.1 -35.24 79.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.031 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.12 -43.95 99.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.958 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.562 HD13 ' O ' ' D' ' 43' ' ' LEU . 0.2 OUTLIER -61.73 -43.02 99.67 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.222 0.534 . . . . 0.0 110.294 -178.377 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 63.0 t0 -62.43 -39.25 92.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.613 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -68.01 -16.9 64.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.505 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 tp -61.48 -41.9 97.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.405 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -95.35 39.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.994 0.426 . . . . 0.0 110.581 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -46.21 157.51 0.12 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.368 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.218 -0.559 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.493 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 0.816 'BR ' ' CA ' ' A' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -63.49 -39.87 95.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.544 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -62.04 -40.97 97.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.705 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -60.76 -44.29 96.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.595 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.1 p -149.49 121.26 8.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.112 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.404 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -82.66 151.59 65.08 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.329 -179.675 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -68.41 -15.76 42.42 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.677 2.251 . . . . 0.0 112.202 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.18 -41.36 92.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.688 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 24' ' ' ASP . 2.8 m -62.42 -37.76 79.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.996 0.427 . . . . 0.0 110.504 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.72 -43.86 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.019 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.19 78.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.288 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.28 78.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.8 m -61.66 -39.95 93.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.921 0.391 . . . . 0.0 110.72 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.07 -41.74 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.674 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.545 HG23 HD11 ' B' ' 38' ' ' LEU . 86.6 mt -60.44 -43.16 93.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.605 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -51.58 58.06 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.027 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.2 mm -68.3 -44.74 83.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 O-C-N 122.734 -0.274 . . . . 0.0 111.184 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.16 -47.26 85.3 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.895 0.379 . . . . 0.0 110.603 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.543 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.4 t60 -60.79 -40.61 93.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.098 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.65 HD21 ' ND1' ' D' ' 37' ' ' HIS . 13.2 mt -61.1 -40.25 93.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.355 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.3 -48.68 87.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.356 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 40' ' ' LEU . 11.3 mp -67.07 -43.64 82.13 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.25 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -67.84 -37.15 81.52 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.574 0.226 . . . . 0.0 111.223 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.31 -45.39 98.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.57 -37.76 88.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.431 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 48' ' ' PHE . 30.1 t70 -53.58 -48.74 68.91 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.298 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -65.56 -36.44 83.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.885 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.23 -43.46 98.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.653 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -90.08 -65.71 0.99 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.714 0.292 . . . . 0.0 111.3 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.429 ' O ' ' O ' ' A' ' 44' ' ' ASP . 54.2 m-85 -95.86 145.59 25.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.4 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.47 -179.881 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.4 m . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -63.36 -39.94 95.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -62.16 -40.59 96.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -61.02 -44.22 97.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.6 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 88.6 p -149.4 121.26 8.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.205 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.402 ' O ' HG22 ' B' ' 27' ' ' VAL . 0.8 OUTLIER -82.69 151.6 64.99 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.402 -179.767 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -68.36 -15.66 42.46 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.713 2.275 . . . . 0.0 112.28 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.44 -41.11 93.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.75 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.402 HG22 ' O ' ' B' ' 24' ' ' ASP . 2.7 m -62.25 -37.97 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.092 0.473 . . . . 0.0 110.373 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.75 -43.93 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.056 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.21 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.39 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.34 -48.67 76.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.42 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 29.5 m -61.72 -40.04 93.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.01 -41.71 93.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.558 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.554 HG23 HD11 ' C' ' 38' ' ' LEU . 86.7 mt -60.45 -43.19 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.561 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -51.57 58.12 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.012 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mm -68.34 -44.7 83.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.17 -47.32 85.03 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.985 0.421 . . . . 0.0 110.592 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.557 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.6 t60 -60.75 -40.5 92.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.229 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.545 HD11 HG23 ' A' ' 33' ' ' ILE . 13.5 mt -61.13 -40.3 93.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.397 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.26 -48.69 87.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.323 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 40' ' ' LEU . . . . . 0.46 ' N ' HD12 ' B' ' 40' ' ' LEU . 11.3 mp -66.94 -43.66 82.62 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.286 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -67.95 -36.97 81.0 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.382 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.33 -45.35 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.56 -37.84 88.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.356 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' B' ' 48' ' ' PHE . 30.2 t70 -53.75 -48.71 69.44 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.274 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -65.52 -36.42 83.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.897 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.26 -43.45 98.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.693 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -90.11 -65.79 0.98 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.753 0.311 . . . . 0.0 111.184 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' B' ' 44' ' ' ASP . 54.2 m-85 -95.83 145.66 25.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.348 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.498 -179.891 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 47.0 m . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -63.53 -39.88 95.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.505 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -62.13 -40.88 97.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.752 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -60.73 -44.29 96.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.624 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 88.6 p -149.49 121.27 8.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.129 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 24' ' ' ASP . . . . . 0.42 ' O ' HG22 ' C' ' 27' ' ' VAL . 0.8 OUTLIER -82.69 151.66 65.08 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.312 -179.785 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -68.35 -15.81 42.7 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.737 2.291 . . . . 0.0 112.239 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.29 -41.23 92.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.712 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.42 HG22 ' O ' ' C' ' 24' ' ' ASP . 2.9 m -62.06 -38.2 80.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.021 0.439 . . . . 0.0 110.334 -179.634 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.52 -43.95 95.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.999 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.24 -36.97 78.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.32 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.58 77.15 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.328 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 36.1 m -61.47 -40.14 93.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.1 -41.78 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.624 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.542 HG23 HD11 ' D' ' 38' ' ' LEU . 88.2 mt -60.41 -43.2 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.668 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.08 -51.53 58.33 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.008 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 41.1 mm -68.4 -44.62 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.146 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.23 -47.25 85.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.906 0.384 . . . . 0.0 110.639 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.533 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.6 t60 -60.73 -40.59 92.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.318 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.557 HD21 ' ND1' ' B' ' 37' ' ' HIS . 13.5 mt -61.14 -40.15 92.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.355 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.31 -48.74 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.396 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 40' ' ' LEU . . . . . 0.451 HD12 ' N ' ' C' ' 40' ' ' LEU . 11.3 mp -67.0 -43.53 82.66 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.21 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -67.94 -37.18 81.3 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.635 0.255 . . . . 0.0 111.311 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.15 -45.49 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.61 -37.7 88.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.357 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' C' ' 48' ' ' PHE . 30.4 t70 -53.77 -48.69 69.5 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.26 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -65.51 -36.55 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.848 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.19 -43.53 98.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.691 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -89.98 -65.79 0.98 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.733 0.302 . . . . 0.0 111.254 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' C' ' 44' ' ' ASP . 54.5 m-85 -95.76 145.55 25.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.399 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.574 -179.883 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 46.9 m . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -63.48 -39.97 95.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.547 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -62.21 -40.64 96.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.756 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.05 -44.17 97.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.578 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 88.2 p -149.51 121.33 8.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.098 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 24' ' ' ASP . . . . . 0.412 ' O ' HG22 ' D' ' 27' ' ' VAL . 0.8 OUTLIER -82.76 151.65 64.84 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.347 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -68.37 -15.64 42.39 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.67 2.247 . . . . 0.0 112.273 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.45 -41.1 93.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.676 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.412 HG22 ' O ' ' D' ' 24' ' ' ASP . 2.9 m -62.18 -38.04 79.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.024 0.44 . . . . 0.0 110.345 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.77 -43.92 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.178 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -37.22 79.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.125 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.409 ' HB1' ' S ' ' C' ' 100' ' ' 3LW . . . -56.46 -48.71 76.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.63 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 34.1 m -61.54 -39.98 93.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.684 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.04 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.713 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.486 HG23 HD11 ' A' ' 38' ' ' LEU . 87.9 mt -60.66 -43.01 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.503 -179.418 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.02 -51.69 57.35 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 41.7 mm -68.3 -44.67 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 O-C-N 122.755 -0.262 . . . . 0.0 111.135 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.23 -47.24 85.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 110.568 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.65 ' ND1' HD21 ' A' ' 38' ' ' LEU . 9.0 t60 -60.83 -40.5 93.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.259 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.542 HD11 HG23 ' C' ' 33' ' ' ILE . 13.4 mt -61.15 -40.33 93.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.316 -179.046 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.26 -48.74 87.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.35 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 40' ' ' LEU . . . . . 0.453 ' N ' HD12 ' D' ' 40' ' ' LEU . 11.3 mp -67.01 -43.57 82.52 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.671 -0.411 . . . . 0.0 111.26 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -67.93 -37.09 81.21 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.258 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.32 -45.46 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.44 -37.84 88.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.45 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' D' ' 48' ' ' PHE . 30.1 t70 -53.64 -48.67 69.16 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.337 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -65.59 -36.45 83.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.863 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.11 -43.63 98.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.749 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -90.02 -65.73 0.99 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.712 0.292 . . . . 0.0 111.248 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' D' ' 44' ' ' ASP . 54.2 m-85 -95.79 145.63 25.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.398 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.48 -179.932 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 0.409 ' S ' ' HB1' ' D' ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.19 -41.65 99.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.633 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -63.69 -40.63 97.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.855 0.359 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.5 p -78.84 -6.38 55.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.675 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.7 p -61.48 -38.09 86.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.647 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -67.75 147.5 98.6 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.719 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.75 -17.71 37.48 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.58 2.186 . . . . 0.0 111.958 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.08 -43.86 97.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.883 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.2 t -65.52 -49.6 77.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.068 0.461 . . . . 0.0 110.72 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.51 -45.51 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.554 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.35 -39.13 82.22 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.523 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ALA . . . . . 0.502 ' O ' 'BR ' ' C' ' 100' ' ' 3LW . . . -56.13 -51.05 69.34 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.469 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -62.94 -37.88 88.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.97 -43.0 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.474 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.595 HG23 HD11 ' B' ' 38' ' ' LEU . 81.1 mt -59.7 -44.76 94.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.468 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.956 ' CA ' 'BR ' ' C' ' 100' ' ' 3LW . . . -64.37 -43.63 96.55 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.325 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.3 mt -69.48 -52.46 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.85 -42.72 97.51 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.116 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.545 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -59.94 -41.39 91.74 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.662 HD11 HG23 ' D' ' 33' ' ' ILE . 14.6 mt -61.72 -39.44 91.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.28 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.95 -48.85 86.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.423 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.51 -43.43 69.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.862 0.363 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.533 ' CH2' ' NH1' ' A' ' 45' ' ' ARG . 79.5 t90 -65.84 -36.98 84.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -62.24 -44.32 98.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.12 -39.86 91.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.568 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -57.21 -44.3 83.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.425 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.533 ' NH1' ' CH2' ' A' ' 41' ' ' TRP . 47.7 mmm-85 -60.93 -31.24 70.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.79 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.3 tt -60.16 -44.96 94.6 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -178.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -61.44 -45.94 92.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.673 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 45' ' ' ARG . 97.0 m-85 -137.14 141.91 42.24 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.356 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.222 -0.377 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.408 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 20' ' ' ASN . . . . . 0.4 ' O ' ' OG ' ' B' ' 23' ' ' SER . 99.1 m-20 -63.21 -41.56 99.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.699 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.82 -40.42 96.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.801 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 83.4 p -78.98 -6.28 55.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.663 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 23' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' B' ' 20' ' ' ASN . 60.7 p -61.47 -38.03 85.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.624 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -67.89 147.59 98.5 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.653 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.03 -17.47 36.33 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.38 2.054 . . . . 0.0 112.016 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt -63.0 -43.93 97.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.927 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t -65.68 -49.53 77.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 120.981 0.419 . . . . 0.0 110.642 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.36 -45.56 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.555 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.45 82.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.472 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.88 -51.15 68.57 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.406 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 20.9 m -62.99 -37.77 88.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.02 -43.19 98.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.409 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.651 HG23 HD11 ' C' ' 38' ' ' LEU . 81.7 mt -59.48 -44.77 93.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.679 -179.341 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.54 -43.39 96.64 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.449 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.2 mt -69.49 -52.36 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.98 -42.73 97.15 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.15 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.572 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -59.81 -41.29 90.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.084 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.595 HD11 HG23 ' A' ' 33' ' ' ILE . 14.5 mt -61.89 -39.51 92.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.246 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.82 -48.97 85.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.374 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.3 mt -70.5 -43.49 69.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.529 ' CH2' ' NH1' ' B' ' 45' ' ' ARG . 79.5 t90 -65.82 -36.83 84.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mm -62.24 -44.49 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 75.3 mt -61.09 -39.87 91.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.483 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -57.16 -44.12 83.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.848 0.356 . . . . 0.0 110.517 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.529 ' NH1' ' CH2' ' B' ' 41' ' ' TRP . 47.9 mmm-85 -61.11 -31.31 71.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.634 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.619 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.2 tt -60.13 -44.98 94.51 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -61.42 -45.97 92.06 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.665 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' B' ' 45' ' ' ARG . 97.0 m-85 -137.25 141.52 42.01 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.383 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.438 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -63.4 -41.63 98.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.488 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -63.99 -40.42 96.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.82 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 83.4 p -78.79 -6.33 55.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.699 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 60.8 p -61.58 -38.02 86.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.697 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -67.91 147.63 98.49 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.736 -179.205 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.94 -17.58 36.68 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.485 2.123 . . . . 0.0 112.02 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.06 -43.94 97.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.836 -179.028 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.48 -49.6 77.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.073 0.463 . . . . 0.0 110.71 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.38 -45.5 92.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.544 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.43 83.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.471 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.83 -51.37 67.71 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.287 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -62.91 -37.75 88.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.612 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.05 -43.08 98.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.42 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.605 HG23 HD11 ' D' ' 38' ' ' LEU . 81.3 mt -59.69 -44.69 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.531 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.4 -43.58 96.57 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 120.474 -0.869 . . . . 0.0 111.375 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 94.7 mt -69.46 -52.32 33.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.02 -42.77 97.02 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.018 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.565 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.8 t60 -59.74 -41.38 90.83 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.097 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.651 HD11 HG23 ' B' ' 33' ' ' ILE . 14.7 mt -61.84 -39.45 91.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.9 -48.86 86.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.431 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.47 -43.52 69.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.988 0.423 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.526 ' CH2' ' NH1' ' C' ' 45' ' ' ARG . 79.4 t90 -65.95 -36.74 84.18 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mm -62.31 -44.41 99.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 75.3 mt -61.07 -39.89 91.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.498 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -57.18 -44.16 83.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.402 . . . . 0.0 110.453 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.526 ' NH1' ' CH2' ' C' ' 41' ' ' TRP . 47.9 mmm-85 -61.05 -31.29 70.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.723 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.606 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.3 tt -60.17 -44.87 94.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 110.016 -178.933 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -61.54 -45.82 92.57 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.706 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' C' ' 45' ' ' ARG . 97.0 m-85 -137.24 141.7 42.03 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.42 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.45 179.89 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.3 -41.52 98.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.723 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -63.84 -40.5 96.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.821 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 83.4 p -78.95 -6.37 56.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.651 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 60.6 p -61.58 -37.9 85.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.663 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -67.95 147.7 98.45 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.666 -179.143 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.01 -17.53 36.4 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.463 2.109 . . . . 0.0 112.028 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.99 -43.96 97.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.844 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.62 -49.55 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.975 0.417 . . . . 0.0 110.694 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 96.5 t -65.32 -45.68 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.492 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.04 -39.35 81.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.516 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.0 -51.24 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.356 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 21.0 m -62.96 -37.91 89.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.565 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.93 -43.07 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.45 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.662 HG23 HD11 ' A' ' 38' ' ' LEU . 80.4 mt -59.55 -44.74 93.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.71 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.57 -43.55 96.36 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 120.479 -0.867 . . . . 0.0 111.273 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 94.6 mt -69.46 -52.34 33.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.03 -42.61 97.05 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.056 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.603 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.9 t60 -60.01 -41.28 91.8 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.982 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.605 HD11 HG23 ' C' ' 33' ' ' ILE . 14.5 mt -61.79 -39.54 92.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.84 -49.01 85.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.37 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.48 -43.46 69.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.529 ' CH2' ' NH1' ' D' ' 45' ' ' ARG . 79.4 t90 -65.81 -36.9 84.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mm -62.2 -44.4 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.09 -39.94 91.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.484 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -57.16 -44.22 83.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 110.414 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.529 ' NH1' ' CH2' ' D' ' 41' ' ' TRP . 47.5 mmm-85 -60.89 -31.47 70.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.722 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.619 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.3 tt -60.08 -44.91 94.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.001 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -61.43 -46.09 91.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.581 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' D' ' 45' ' ' ARG . 97.0 m-85 -137.08 141.85 42.37 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.392 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.486 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 0.956 'BR ' ' CA ' ' A' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' SER . . . . . 0.408 ' O ' ' OG ' ' A' ' 22' ' ' SER . 19.6 m . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.41 -41.03 98.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.624 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 -68.19 -22.61 64.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.681 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 19' ' ' SER . 80.2 p -82.15 -2.98 53.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -59.47 -43.49 93.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.473 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 3.4 m-20 -102.15 104.62 37.8 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.606 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.6 -16.87 18.69 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 122.488 2.125 . . . . 0.0 112.058 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.08 -44.29 96.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.745 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.93 -45.99 93.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.357 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.4 t -63.53 -44.94 98.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.499 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.97 89.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.494 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.39 -48.6 74.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.67 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.5 p -64.72 -40.15 94.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.774 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.93 -42.86 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.2 mt -61.04 -44.35 98.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.735 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.65 -51.82 33.69 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.408 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.42 -44.59 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.729 0.299 . . . . 0.0 110.881 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.5 -44.67 95.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.963 0.411 . . . . 0.0 110.963 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.638 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.7 t60 -62.14 -40.06 94.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.406 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.661 HD21 ' ND1' ' D' ' 37' ' ' HIS . 13.5 mt -61.64 -38.87 89.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.17 -44.31 98.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.388 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.38 -41.37 61.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.108 0.48 . . . . 0.0 111.189 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -70.27 -46.21 64.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.896 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 38' ' ' LEU . 10.8 tp -61.47 -38.58 80.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.306 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.08 -39.88 93.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.227 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.471 ' CG ' ' NH1' ' B' ' 45' ' ' ARG . 43.9 t0 -61.91 -39.23 91.3 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.533 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.459 ' NH1' ' CG ' ' D' ' 44' ' ' ASP . 18.6 mmm180 -79.95 -16.83 54.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.972 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.9 tp -61.83 -44.5 96.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.444 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -86.87 -37.8 17.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.755 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 45' ' ' ARG . 40.4 m-85 -99.75 133.12 44.56 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.54 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.649 -179.897 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.78 -40.85 97.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.591 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -68.02 -22.67 64.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.616 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 77.2 p -82.37 -2.51 53.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.556 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -59.7 -43.45 94.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.433 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 3.3 m-20 -102.15 104.49 36.95 Favored Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.648 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.29 -17.23 19.09 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.488 2.125 . . . . 0.0 112.125 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.99 -43.93 97.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 90.7 t -65.34 -45.59 92.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.575 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.0 -44.4 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.404 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.76 91.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.483 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.65 -48.64 74.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.621 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 71.9 p -64.61 -40.29 95.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.739 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.404 ' O ' ' CB ' ' B' ' 36' ' ' LEU . 95.9 mt -64.76 -42.98 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.603 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 70.3 mt -60.95 -44.35 97.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.856 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.42 -52.06 33.31 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.472 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.13 -44.7 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.31 . . . . 0.0 110.841 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.404 ' CB ' ' O ' ' B' ' 32' ' ' ILE . 56.9 tp -62.44 -44.88 95.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.962 0.411 . . . . 0.0 110.946 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.622 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -61.88 -40.23 94.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.372 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.638 HD21 ' ND1' ' A' ' 37' ' ' HIS . 13.7 mt -61.48 -38.81 88.62 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.057 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.1 -44.32 98.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 120.186 -0.606 . . . . 0.0 110.278 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.31 -41.36 61.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.147 0.498 . . . . 0.0 111.291 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -70.34 -46.32 64.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.855 -179.116 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.557 HG22 ' O ' ' B' ' 38' ' ' LEU . 10.6 tp -61.26 -38.78 80.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.379 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.9 -39.95 93.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.248 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.456 ' CG ' ' NH1' ' C' ' 45' ' ' ARG . 42.5 t0 -62.06 -39.17 91.48 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.506 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.471 ' NH1' ' CG ' ' A' ' 44' ' ' ASP . 18.7 mmm180 -79.79 -16.95 54.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.839 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.6 tp -61.73 -44.55 96.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.445 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -86.85 -37.51 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.875 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' B' ' 45' ' ' ARG . 40.6 m-85 -100.09 133.07 45.03 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.988 0.423 . . . . 0.0 110.453 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.692 -179.919 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.76 -40.74 97.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.461 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 43.1 p-10 -68.3 -22.64 64.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -82.33 -2.43 52.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.515 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -59.84 -43.42 94.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.43 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 24' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' C' ' 24' ' ' ASP . 3.3 m-20 -102.17 104.59 37.66 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.651 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.56 -16.7 18.85 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.397 2.064 . . . . 0.0 112.112 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.24 -44.23 95.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.766 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.11 -45.73 93.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.439 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.83 -44.48 98.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.506 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.74 -40.68 93.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.491 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.79 -48.94 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.633 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 73.0 p -64.35 -40.44 95.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.794 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.405 ' O ' ' CB ' ' C' ' 36' ' ' LEU . 96.3 mt -64.67 -42.9 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.646 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.01 -44.26 97.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.788 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.6 -51.84 33.82 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.408 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.48 -44.52 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.7 0.286 . . . . 0.0 110.786 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' C' ' 32' ' ' ILE . 56.4 tp -62.57 -44.81 95.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.995 0.426 . . . . 0.0 111.056 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.661 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -62.12 -39.93 94.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.317 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.622 HD21 ' ND1' ' B' ' 37' ' ' HIS . 13.5 mt -61.67 -38.78 89.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.995 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.33 -44.25 98.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.299 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.0 mt -74.44 -41.62 60.54 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.159 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -69.87 -46.51 65.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.876 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.567 HG22 ' O ' ' C' ' 38' ' ' LEU . 10.7 tp -61.47 -38.34 79.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.33 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 28.1 mt -62.24 -39.74 93.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.147 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.481 ' CG ' ' NH1' ' D' ' 45' ' ' ARG . 43.2 t0 -62.01 -39.49 92.44 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.555 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.456 ' NH1' ' CG ' ' B' ' 44' ' ' ASP . 18.5 mmm180 -79.62 -17.09 54.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 44.9 tp -61.45 -44.87 96.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.4 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -86.57 -37.96 17.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.749 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.414 ' O ' ' O ' ' C' ' 45' ' ' ARG . 40.4 m-85 -99.72 132.98 44.72 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.498 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.641 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.84 -40.9 97.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.591 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -68.26 -22.45 64.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.698 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 77.0 p -82.2 -3.04 54.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.526 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 11.6 t -59.43 -43.59 93.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.445 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 24' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' D' ' 24' ' ' ASP . 3.4 m-20 -102.08 104.4 36.12 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.637 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.32 -17.23 19.02 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.44 2.093 . . . . 0.0 112.093 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.81 -44.11 97.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.801 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 90.7 t -65.27 -45.48 93.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.475 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.0 -44.88 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.42 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.39 91.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.53 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.96 -49.15 72.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.705 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 74.3 p -64.26 -40.2 95.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.725 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.404 ' O ' ' CB ' ' D' ' 36' ' ' LEU . 96.1 mt -64.83 -42.86 96.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.658 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 71.0 mt -60.98 -44.58 98.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.77 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 34' ' ' GLY . . . . . 1.03 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -67.19 -52.05 34.45 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.299 -179.532 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.43 -44.48 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.94 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 36' ' ' LEU . . . . . 0.404 ' CB ' ' O ' ' D' ' 32' ' ' ILE . 57.4 tp -62.47 -44.59 96.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.064 0.459 . . . . 0.0 111.034 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.661 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.6 t60 -62.43 -39.78 94.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.373 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.661 HD21 ' ND1' ' C' ' 37' ' ' HIS . 13.4 mt -61.84 -38.93 90.03 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.886 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.06 -44.31 98.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.339 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 94.0 mt -74.38 -41.23 61.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.102 0.477 . . . . 0.0 111.256 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -70.34 -46.49 64.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.827 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.566 HG22 ' O ' ' D' ' 38' ' ' LEU . 10.8 tp -61.32 -38.51 80.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.246 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 29.2 mt -62.12 -39.96 94.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.239 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.459 ' CG ' ' NH1' ' A' ' 45' ' ' ARG . 43.3 t0 -61.97 -39.02 90.71 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.535 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.481 ' NH1' ' CG ' ' C' ' 44' ' ' ASP . 18.6 mmm180 -80.08 -16.62 54.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 44.3 tp -61.98 -44.34 96.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.438 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -87.14 -37.68 17.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.754 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -99.88 132.77 45.03 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.918 0.39 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.646 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 1.03 'BR ' ' HA3' ' D' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.1 -39.16 93.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.494 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.92 -41.35 95.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -59.88 -43.43 94.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.578 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.0 m -142.61 113.98 7.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.809 0.338 . . . . 0.0 110.359 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -85.13 153.55 59.78 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.351 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.52 -17.34 53.12 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.83 2.354 . . . . 0.0 111.952 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.526 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.3 mp -61.88 -41.8 98.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.431 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.92 -48.81 86.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.027 0.441 . . . . 0.0 110.598 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.2 t -65.49 -43.86 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.253 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.49 -38.7 90.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.579 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.67 -49.89 71.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.559 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.1 m -62.59 -41.78 99.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.769 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.58 -42.4 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.546 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.541 HG23 HD11 ' B' ' 38' ' ' LEU . 70.7 mt -61.24 -43.94 97.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.753 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.78 -53.5 37.5 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 120.638 -0.792 . . . . 0.0 111.207 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.92 -44.44 92.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.837 0.351 . . . . 0.0 110.949 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.07 -44.74 96.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.008 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.694 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -63.5 -39.29 94.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.293 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.629 ' O ' HG22 ' A' ' 42' ' ' ILE . 11.7 mt -61.54 -39.75 92.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.178 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.02 -44.22 98.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.364 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.1 mt -73.31 -42.8 61.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.028 0.442 . . . . 0.0 110.987 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -69.11 -48.17 63.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.769 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.9 tt -61.76 -35.79 69.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.936 0.398 . . . . 0.0 110.077 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.66 -43.01 99.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.345 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.438 ' O ' ' CD2' ' A' ' 48' ' ' PHE . 99.1 m-20 -64.52 -38.44 91.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.713 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 48' ' ' PHE . 21.7 mmt85 -84.8 -8.43 58.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.587 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.38 -47.2 85.19 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.481 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -78.18 -37.62 45.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.916 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 44' ' ' ASP . 1.6 m-85 -94.43 124.47 38.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 -179.348 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.863 -1.065 . . . . 0.0 110.668 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.71 -38.66 91.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.466 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.53 -41.21 97.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.521 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.5 t -60.21 -43.4 96.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.459 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 41.0 m -142.4 113.69 7.72 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.854 0.359 . . . . 0.0 110.284 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 0.3 OUTLIER -84.96 153.54 60.26 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.376 -179.691 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.63 -17.44 52.8 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.755 2.303 . . . . 0.0 111.871 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.531 ' N ' HD12 ' B' ' 26' ' ' LEU . 10.2 mp -61.7 -41.88 98.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.546 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.86 -48.79 86.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.922 0.391 . . . . 0.0 110.519 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.6 -43.82 93.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.262 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.64 90.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.484 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.68 -49.97 71.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.584 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 51.9 m -62.51 -41.79 99.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.763 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.55 -42.36 95.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.54 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.52 HG23 HD11 ' C' ' 38' ' ' LEU . 69.2 mt -61.2 -44.25 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.768 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 0.819 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -63.42 -53.52 38.56 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 120.538 -0.839 . . . . 0.0 111.267 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.88 -44.49 92.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.02 -44.6 96.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.662 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -63.81 -39.18 93.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.358 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.694 HD21 ' ND1' ' A' ' 37' ' ' HIS . 11.3 mt -61.49 -39.73 91.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.123 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.96 -44.28 98.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.409 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.6 mt -73.48 -42.66 61.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.986 0.422 . . . . 0.0 111.043 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -69.07 -47.9 64.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.796 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.638 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.6 tt -62.37 -35.6 70.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.886 0.374 . . . . 0.0 110.067 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 45.4 tp -61.78 -42.94 99.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.207 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.434 ' O ' ' CD2' ' B' ' 48' ' ' PHE . 99.0 m-20 -64.65 -38.77 92.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.772 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' B' ' 48' ' ' PHE . 21.7 mmt85 -84.37 -8.52 58.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.64 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 56.8 tp -62.33 -47.19 85.34 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.547 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -78.15 -37.74 45.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.979 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.434 ' CD2' ' O ' ' B' ' 44' ' ' ASP . 1.6 m-85 -94.41 124.17 38.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.47 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.635 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.1 -39.22 94.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.515 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.25 -41.14 96.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.461 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -60.05 -43.83 95.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 42.6 m -142.05 113.72 7.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.196 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 24' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' C' ' 24' ' ' ASP . 0.3 OUTLIER -84.86 153.51 60.59 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.384 -179.737 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.58 -17.48 53.01 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.853 2.369 . . . . 0.0 111.883 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.535 ' N ' HD12 ' C' ' 26' ' ' LEU . 10.3 mp -61.89 -41.97 98.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.548 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t -62.8 -48.78 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.962 0.41 . . . . 0.0 110.546 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 88.9 t -65.46 -43.87 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.291 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.24 92.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.508 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.0 -50.24 69.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.632 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 55.0 m -62.21 -42.02 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.744 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.42 -42.51 96.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.496 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.523 HG23 HD11 ' D' ' 38' ' ' LEU . 71.4 mt -60.91 -44.07 97.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.793 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.73 -53.68 36.41 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.183 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.8 -44.41 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.14 -44.99 95.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.666 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.8 t60 -63.35 -39.12 93.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.328 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.662 HD21 ' ND1' ' B' ' 37' ' ' HIS . 11.6 mt -61.49 -39.91 92.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.26 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.86 -44.22 98.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.415 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 50.8 mt -73.48 -42.83 61.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.026 0.441 . . . . 0.0 111.06 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -68.83 -48.03 64.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.791 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.64 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.8 tt -62.16 -35.59 69.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.042 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.91 -42.84 99.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.243 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.44 ' O ' ' CD2' ' C' ' 48' ' ' PHE . 99.2 m-20 -64.72 -38.41 90.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.751 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' C' ' 48' ' ' PHE . 21.5 mmt85 -84.71 -8.37 58.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.566 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.38 -47.34 84.58 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.471 -0.491 . . . . 0.0 110.494 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -78.08 -38.02 45.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.44 ' CD2' ' O ' ' C' ' 44' ' ' ASP . 1.6 m-85 -93.98 124.71 38.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.39 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.74 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.38 -39.06 93.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.5 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.19 -40.97 95.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.602 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 22.9 t -60.79 -42.91 98.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.315 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 45.1 m -142.48 113.94 7.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.185 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 24' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' D' ' 24' ' ' ASP . 0.3 OUTLIER -85.33 153.53 59.22 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.407 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.53 -17.4 53.15 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.782 2.321 . . . . 0.0 112.002 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.525 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.3 mp -61.87 -42.02 98.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.501 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 92.2 t -62.68 -48.68 86.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.972 0.415 . . . . 0.0 110.525 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.6 -43.86 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.275 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.6 90.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.52 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.57 -50.22 70.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.573 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 51.6 m -62.35 -41.71 98.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.808 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.59 -42.36 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.479 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.508 HG23 HD11 ' A' ' 38' ' ' LEU . 69.6 mt -61.23 -44.07 97.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.79 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.56 -53.58 37.7 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.3 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.86 -44.6 92.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.01 -44.76 96.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.61 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.8 t60 -63.49 -39.32 94.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.273 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.666 HD21 ' ND1' ' C' ' 37' ' ' HIS . 11.4 mt -61.47 -39.87 92.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.091 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 94.9 mt -61.93 -44.3 98.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.433 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 51.3 mt -73.24 -42.52 62.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.009 0.433 . . . . 0.0 111.005 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -69.12 -48.52 62.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.818 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.636 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.8 tt -61.72 -35.53 68.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.028 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 45.4 tp -61.97 -43.0 99.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.257 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.44 ' O ' ' CD2' ' D' ' 48' ' ' PHE . 99.3 m-20 -64.6 -38.44 91.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.701 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' D' ' 48' ' ' PHE . 21.8 mmt85 -84.62 -8.34 58.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.661 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.46 -47.25 84.85 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.54 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -78.32 -37.48 44.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.917 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.44 ' CD2' ' O ' ' D' ' 44' ' ' ASP . 1.6 m-85 -94.39 124.56 38.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.441 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.699 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 0.819 'BR ' ' HA3' ' B' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -69.06 -70.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.67 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 22' ' ' SER . 46.8 p-10 -66.97 -33.65 76.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.511 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 54.1 m -59.38 -42.16 91.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.681 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.8 m -93.11 93.3 8.22 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.233 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -78.21 150.13 76.95 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.211 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.19 -24.32 51.52 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.164 1.91 . . . . 0.0 111.871 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.507 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.2 mp -64.2 -41.81 96.91 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.683 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.0 t -61.82 -51.09 76.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-O 121.082 0.468 . . . . 0.0 111.112 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 29' ' ' ALA . 28.3 m -66.55 -43.06 90.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.083 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.466 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -56.51 -40.99 75.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.011 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.25 -43.24 82.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.54 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.1 m -60.24 -46.02 91.22 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.78 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.452 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 1.2 mp -67.03 -41.32 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.767 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.15 -45.04 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.919 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.06 -50.97 36.53 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.372 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.39 -43.2 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.64 0.257 . . . . 0.0 111.485 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.91 -43.7 98.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.758 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.573 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.1 t60 -62.11 -41.87 98.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.871 0.367 . . . . 0.0 110.543 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.578 HD21 ' ND1' ' D' ' 37' ' ' HIS . 9.1 mt -61.82 -39.98 93.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.358 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.3 -45.1 99.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.476 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.24 -44.43 65.33 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.512 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.418 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 65.3 t90 -68.92 -46.28 68.68 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.975 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.476 HG22 ' O ' ' A' ' 38' ' ' LEU . 3.8 tp -64.02 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 43.9 tp -64.67 -39.36 93.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.284 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -61.11 -31.99 71.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.294 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -59.65 -34.68 73.13 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.926 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.547 ' N ' HD12 ' A' ' 46' ' ' LEU . 10.5 mp -61.86 -43.32 99.08 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.23 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -63.19 -45.3 92.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -140.33 147.58 40.07 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.283 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.477 179.794 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -69.16 -70.49 0.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.669 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 21' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' B' ' 22' ' ' SER . 47.0 p-10 -66.96 -33.62 75.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.526 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 54.2 m -59.37 -42.2 91.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.657 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 40.7 m -93.06 93.14 8.16 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.334 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -78.2 150.14 76.99 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.192 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.16 -24.19 51.91 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 C-N-CA 122.121 1.88 . . . . 0.0 111.931 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.512 ' N ' HD12 ' B' ' 26' ' ' LEU . 10.2 mp -64.38 -41.75 96.53 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.629 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.91 -51.06 77.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 120.966 0.412 . . . . 0.0 111.104 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.461 HG23 ' N ' ' B' ' 29' ' ' ALA . 28.2 m -66.54 -43.01 90.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.018 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.461 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -56.63 -40.86 76.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.081 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.27 -43.28 82.94 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.494 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -60.32 -46.01 91.4 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.448 ' N ' ' CD1' ' B' ' 32' ' ' ILE . 1.2 mp -66.9 -41.47 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.722 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 71.8 mt -60.0 -45.12 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.906 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 34' ' ' GLY . . . . . 1.016 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -68.07 -51.0 36.23 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.322 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.29 -43.16 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.553 0.216 . . . . 0.0 111.576 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.78 -43.74 98.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.813 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.583 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.1 t60 -62.07 -42.0 98.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.483 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.573 HD21 ' ND1' ' A' ' 37' ' ' HIS . 8.9 mt -61.82 -39.9 93.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.351 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.39 -45.02 99.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.411 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.32 -44.55 64.92 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.839 -0.345 . . . . 0.0 111.387 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 65.3 t90 -68.91 -46.29 68.69 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.933 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.47 HG22 ' O ' ' B' ' 38' ' ' LEU . 3.9 tp -63.97 -40.67 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.411 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 43.9 tp -64.75 -39.32 93.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.207 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -61.19 -31.88 71.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.239 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' B' ' 48' ' ' PHE . 83.7 mtp180 -59.79 -34.66 73.32 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.891 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.55 ' N ' HD12 ' B' ' 46' ' ' LEU . 10.4 mp -61.82 -43.39 98.94 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.229 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -63.08 -45.38 92.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.579 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.411 ' O ' ' O ' ' B' ' 45' ' ' ARG . 97.4 m-85 -140.31 147.43 39.89 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.441 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.511 179.867 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -69.09 -70.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.613 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 21' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' C' ' 22' ' ' SER . 46.8 p-10 -67.1 -33.58 75.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 22' ' ' SER . . . . . 0.518 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 53.5 m -59.43 -42.06 91.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.665 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 40.6 m -93.13 93.33 8.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.921 0.391 . . . . 0.0 110.278 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -78.45 150.23 76.31 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.135 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.2 -24.3 51.5 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 122.241 1.961 . . . . 0.0 111.848 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.516 ' N ' HD12 ' C' ' 26' ' ' LEU . 10.2 mp -64.29 -41.77 96.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.671 -179.513 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 91.2 t -61.89 -51.08 76.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.097 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.459 HG23 ' N ' ' C' ' 29' ' ' ALA . 28.3 m -66.52 -43.0 91.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.065 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.459 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -56.58 -40.95 76.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.986 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.25 -43.26 82.79 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.452 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 70.7 m -60.3 -46.02 91.34 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.83 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.456 ' CD1' ' N ' ' C' ' 32' ' ' ILE . 1.2 mp -67.09 -41.32 86.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.692 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.03 -45.16 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.869 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.12 -50.99 36.02 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.304 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.24 -43.22 95.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.592 0.235 . . . . 0.0 111.538 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.83 -43.83 98.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.77 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.588 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -62.02 -41.98 98.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.446 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.583 HD21 ' ND1' ' B' ' 37' ' ' HIS . 8.8 mt -61.86 -39.9 93.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.354 -179.104 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.36 -44.93 99.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.514 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.43 -44.55 64.63 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.434 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 65.0 t90 -68.86 -46.28 68.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.87 -179.035 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.482 HG22 ' O ' ' C' ' 38' ' ' LEU . 3.8 tp -63.93 -40.75 90.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 43.8 tp -64.72 -39.36 93.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.177 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -61.11 -31.99 71.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.223 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -59.74 -34.61 73.18 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.898 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.539 ' N ' HD12 ' C' ' 46' ' ' LEU . 10.5 mp -61.96 -43.29 99.15 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.245 -179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -63.05 -45.4 92.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.647 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -140.32 147.53 40.02 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.371 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.471 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -68.94 -70.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.741 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 21' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' D' ' 22' ' ' SER . 46.9 p-10 -67.07 -33.69 76.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.787 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 22' ' ' SER . . . . . 0.525 ' N ' ' OD1' ' D' ' 21' ' ' ASP . 52.8 m -59.36 -42.15 90.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.698 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 40.7 m -93.05 93.26 8.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.281 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -78.42 150.23 76.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.128 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.21 -24.29 51.43 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.211 1.94 . . . . 0.0 111.854 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.512 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.2 mp -64.23 -41.8 96.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.701 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.01 -50.85 78.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.961 0.41 . . . . 0.0 111.192 -178.65 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 28' ' ' VAL . . . . . 0.455 HG23 ' N ' ' D' ' 29' ' ' ALA . 28.2 m -66.63 -42.97 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.071 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.455 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -56.62 -40.87 76.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.985 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.43 82.77 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.45 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 69.9 m -60.18 -46.12 90.8 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.759 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.446 ' N ' ' CD1' ' D' ' 32' ' ' ILE . 1.2 mp -66.94 -41.34 87.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.759 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.03 -45.16 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.914 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.1 -51.0 36.09 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.341 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.21 -43.19 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.684 0.278 . . . . 0.0 111.596 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.86 -43.86 98.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.715 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.578 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -61.97 -42.0 98.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.0 0.428 . . . . 0.0 110.501 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.588 HD21 ' ND1' ' C' ' 37' ' ' HIS . 8.9 mt -61.81 -39.95 93.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.384 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.33 -45.01 99.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.434 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.34 -44.53 64.89 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.472 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.415 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 65.1 t90 -68.76 -46.5 68.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.889 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.484 HG22 ' O ' ' D' ' 38' ' ' LEU . 3.9 tp -63.85 -40.78 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 43.1 tp -64.7 -39.4 93.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.176 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -60.97 -32.07 71.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.328 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' D' ' 48' ' ' PHE . 83.7 mtp180 -59.71 -34.65 73.18 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.888 -179.424 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.533 HD12 ' N ' ' D' ' 46' ' ' LEU . 10.5 mp -61.91 -43.2 99.34 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.292 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -63.15 -45.4 92.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.645 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' D' ' 45' ' ' ARG . 97.3 m-85 -140.33 147.59 40.09 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.387 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.558 179.904 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 1.016 'BR ' ' HA3' ' B' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.9 t . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ASN . . . . . 0.404 ' O ' ' OD1' ' A' ' 20' ' ' ASN . 51.6 p-10 -158.59 154.91 27.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.541 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -74.15 -15.52 61.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.614 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 m -65.41 -17.85 64.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.309 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.5 m -59.77 -41.86 92.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.731 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -103.38 98.73 12.97 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.615 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -76.48 -13.82 18.27 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.093 1.862 . . . . 0.0 112.492 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.8 mp -59.76 -42.94 94.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.813 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 28' ' ' VAL . 4.6 m -66.88 -39.95 84.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.909 0.385 . . . . 0.0 110.669 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.449 ' N ' HG23 ' A' ' 27' ' ' VAL . 84.7 t -61.02 -44.41 98.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.304 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.2 87.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.15 -47.74 74.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.9 m -61.0 -42.47 98.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.493 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.89 -42.26 95.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.438 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.527 HG23 HD11 ' B' ' 38' ' ' LEU . 80.7 mt -61.36 -44.18 98.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.72 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.63 -52.42 48.89 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.202 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.02 -44.64 92.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.59 -46.61 87.52 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.149 0.499 . . . . 0.0 110.946 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.542 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.3 t60 -59.76 -40.41 88.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.194 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.513 HD11 HG23 ' D' ' 33' ' ' ILE . 14.6 mt -61.67 -39.79 92.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ILE . . . . . 0.48 ' O ' HD13 ' A' ' 43' ' ' LEU . 93.7 mt -59.0 -49.27 83.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.219 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -69.57 -42.83 73.98 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.619 -0.433 . . . . 0.0 111.668 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -67.22 -39.81 86.29 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.34 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 52.4 mt -62.75 -45.99 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.557 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 39' ' ' ILE . 8.6 mp -65.74 -37.63 86.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.477 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -52.8 -49.17 66.18 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.311 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -65.19 -34.38 78.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.009 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.574 HD23 ' O ' ' A' ' 46' ' ' LEU . 1.3 tt -60.08 -44.57 94.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.939 0.399 . . . . 0.0 110.13 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' PHE . . . . . 0.426 ' O ' ' CG ' ' A' ' 48' ' ' PHE . 58.4 m-85 -61.06 -46.7 89.62 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.585 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.426 ' CG ' ' O ' ' A' ' 47' ' ' PHE . 85.5 m-85 -155.04 157.72 38.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.547 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 tttp . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.562 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 18.6 t . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -158.38 154.98 27.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.636 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -74.0 -15.74 61.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.68 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.2 m -65.2 -17.91 64.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.464 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 72.5 m -59.77 -41.93 92.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.687 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -103.34 98.75 12.91 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.612 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -76.37 -13.91 18.46 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.069 1.846 . . . . 0.0 112.503 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.516 ' N ' HD12 ' B' ' 26' ' ' LEU . 10.8 mp -59.89 -43.1 94.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.816 -178.642 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 27' ' ' VAL . . . . . 0.433 HG23 ' N ' ' B' ' 28' ' ' VAL . 3.9 m -66.6 -40.05 85.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.043 0.449 . . . . 0.0 110.69 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.433 ' N ' HG23 ' B' ' 27' ' ' VAL . 85.5 t -61.03 -44.43 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.366 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.08 87.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.15 -47.8 74.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.465 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 62.3 m -60.91 -42.63 98.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.561 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.75 -42.35 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.48 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.538 HG23 HD11 ' C' ' 38' ' ' LEU . 79.4 mt -61.25 -44.23 98.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.823 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.6 -52.3 49.82 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.084 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.28 -44.49 91.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.117 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.78 -46.43 88.03 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.024 0.44 . . . . 0.0 110.882 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.505 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.1 t60 -59.73 -40.59 88.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.118 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.542 HD21 ' ND1' ' A' ' 37' ' ' HIS . 14.5 mt -61.5 -39.9 92.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 39' ' ' ILE . . . . . 0.468 ' O ' HD13 ' B' ' 43' ' ' LEU . 94.7 mt -58.79 -49.36 83.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.215 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 mt -69.78 -42.84 73.27 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.521 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -67.0 -39.89 87.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.416 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 52.1 mt -62.78 -46.14 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.467 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.468 HD13 ' O ' ' B' ' 39' ' ' ILE . 8.6 mp -65.72 -37.45 86.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.456 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -53.32 -48.77 68.15 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.095 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -65.25 -34.41 78.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.102 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.58 HD23 ' O ' ' B' ' 46' ' ' LEU . 1.3 tt -60.08 -44.46 94.76 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.058 -178.599 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 47' ' ' PHE . . . . . 0.42 ' O ' ' CG ' ' B' ' 48' ' ' PHE . 58.5 m-85 -61.12 -46.69 89.56 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.589 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.42 ' CG ' ' O ' ' B' ' 47' ' ' PHE . 85.8 m-85 -154.98 157.6 37.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.654 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.0 tttp . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.504 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -158.68 154.94 27.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.612 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -73.97 -15.72 61.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.671 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 6.4 m -65.28 -17.96 64.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.357 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 73.3 m -59.77 -41.84 92.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.718 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -103.38 98.77 13.05 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.599 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -76.46 -13.76 18.33 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.035 1.823 . . . . 0.0 112.547 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.52 ' N ' HD12 ' C' ' 26' ' ' LEU . 10.8 mp -59.96 -42.99 95.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.846 -178.726 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 27' ' ' VAL . . . . . 0.446 HG23 ' N ' ' C' ' 28' ' ' VAL . 4.5 m -66.58 -40.16 85.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.98 0.419 . . . . 0.0 110.592 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.446 ' N ' HG23 ' C' ' 27' ' ' VAL . 86.6 t -60.98 -44.49 98.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.452 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -37.97 86.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.394 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.92 74.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.499 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 61.7 m -60.9 -42.53 98.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.553 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.8 -42.3 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.43 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.523 HG23 HD11 ' D' ' 38' ' ' LEU . 79.7 mt -61.44 -44.06 97.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.733 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 34' ' ' GLY . . . . . 1.016 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -62.63 -52.44 48.75 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.06 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.06 -44.59 91.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.216 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.71 -46.56 87.57 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.082 0.467 . . . . 0.0 110.823 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.485 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.3 t60 -59.8 -40.36 88.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.21 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.538 HD11 HG23 ' B' ' 33' ' ' ILE . 14.5 mt -61.66 -39.75 92.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 39' ' ' ILE . . . . . 0.482 ' O ' HD13 ' C' ' 43' ' ' LEU . 93.9 mt -58.93 -49.26 83.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.19 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.2 mt -69.6 -42.95 73.75 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.549 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -67.11 -39.92 86.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.481 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 52.6 mt -62.67 -46.2 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 121.091 -0.243 . . . . 0.0 110.485 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.482 HD13 ' O ' ' C' ' 39' ' ' ILE . 8.6 mp -65.59 -37.6 87.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.537 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -52.87 -49.25 66.2 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.163 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -65.16 -34.38 78.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.101 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.566 HD23 ' O ' ' C' ' 46' ' ' LEU . 1.3 tt -60.05 -44.64 94.54 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.038 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 47' ' ' PHE . . . . . 0.426 ' O ' ' CG ' ' C' ' 48' ' ' PHE . 58.4 m-85 -61.04 -46.67 89.76 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.581 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.426 ' CG ' ' O ' ' C' ' 47' ' ' PHE . 85.3 m-85 -154.88 157.61 38.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.665 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 64.0 tttp . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.518 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -158.67 154.8 27.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.561 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -73.87 -15.62 61.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.63 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 6.3 m -65.44 -17.81 64.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.35 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 72.9 m -59.87 -41.84 92.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.679 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -103.35 98.72 12.88 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.687 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -76.45 -13.81 18.34 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.144 1.896 . . . . 0.0 112.435 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.506 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.8 mp -59.9 -43.17 94.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.818 -178.7 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 27' ' ' VAL . . . . . 0.434 HG23 ' N ' ' D' ' 28' ' ' VAL . 4.4 m -66.43 -40.33 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.027 0.441 . . . . 0.0 110.59 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 28' ' ' VAL . . . . . 0.434 ' N ' HG23 ' D' ' 27' ' ' VAL . 85.5 t -60.96 -44.49 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.391 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.2 87.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.75 74.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.428 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 62.2 m -60.88 -42.59 98.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.486 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.79 -42.39 95.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.513 HG23 HD11 ' A' ' 38' ' ' LEU . 81.0 mt -61.27 -44.21 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.69 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.59 -52.34 49.55 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.409 -0.901 . . . . 0.0 111.117 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.13 -44.58 91.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.684 0.278 . . . . 0.0 111.204 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.73 -46.46 88.0 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.079 0.466 . . . . 0.0 110.859 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.472 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.1 t60 -59.69 -40.67 88.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.137 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.523 HD11 HG23 ' C' ' 33' ' ' ILE . 14.6 mt -61.54 -39.84 92.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 39' ' ' ILE . . . . . 0.477 ' O ' HD13 ' D' ' 43' ' ' LEU . 94.1 mt -58.84 -49.29 83.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.178 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 mt -69.64 -42.91 73.65 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.557 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -66.97 -39.93 87.34 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.558 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 53.7 mt -62.72 -45.93 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.596 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.477 HD13 ' O ' ' D' ' 39' ' ' ILE . 8.6 mp -65.8 -37.62 86.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.46 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -52.94 -49.1 66.71 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.26 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -65.25 -34.35 78.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.06 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.575 HD23 ' O ' ' D' ' 46' ' ' LEU . 1.3 tt -60.06 -44.53 94.66 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.895 0.378 . . . . 0.0 110.108 -178.699 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 47' ' ' PHE . . . . . 0.423 ' O ' ' CG ' ' D' ' 48' ' ' PHE . 58.4 m-85 -60.97 -46.72 89.62 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.592 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.423 ' CG ' ' O ' ' D' ' 47' ' ' PHE . 85.8 m-85 -155.08 157.66 37.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.615 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 64.0 tttp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.451 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 1.016 'BR ' ' HA3' ' C' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 54.42 51.1 14.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.674 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -65.38 -37.01 85.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.062 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.1 p -61.72 -22.73 65.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.461 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 m -78.51 0.7 25.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.511 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -43.72 152.69 0.43 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.49 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.34 -24.84 64.39 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.594 2.196 . . . . 0.0 111.94 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.547 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.0 mp -63.08 -44.84 94.63 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.549 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.5 t -68.03 -46.1 82.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.635 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.6 t -63.76 -44.48 98.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.492 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.74 95.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.647 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.87 -50.21 66.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.575 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -62.65 -43.03 99.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.753 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.503 HG22 HD12 ' A' ' 36' ' ' LEU . 91.1 mt -62.09 -41.71 92.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.859 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.65 -43.12 86.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.7 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLY . . . . . 0.663 ' CA ' 'BR ' ' C' ' 100' ' ' 3LW . . . -60.0 -49.79 74.74 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.272 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.3 mm -63.62 -47.82 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.668 0.27 . . . . 0.0 111.146 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.503 HD12 HG22 ' A' ' 32' ' ' ILE . 44.4 mt -61.93 -43.62 98.47 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.137 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -65.34 -41.97 93.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.741 -179.692 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.511 ' O ' HG22 ' A' ' 42' ' ' ILE . 2.4 mt -62.07 -40.53 96.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -61.55 -44.52 98.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.482 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.1 mt -74.35 -41.85 60.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.014 0.435 . . . . 0.0 111.184 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.4 t90 -68.28 -46.51 70.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.895 -178.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 38' ' ' LEU . 18.6 tt -61.53 -38.6 80.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.219 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 43' ' ' LEU . 1.5 tt -61.76 -41.36 97.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.196 0.522 . . . . 0.0 109.966 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.539 ' OD1' ' NH2' ' B' ' 45' ' ' ARG . 99.9 m-20 -59.36 -41.54 89.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.486 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.522 ' NH2' ' OD1' ' D' ' 44' ' ' ASP . 70.8 ttt180 -65.44 -21.64 66.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.279 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.4 tt -61.78 -45.93 91.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.172 0.511 . . . . 0.0 110.31 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -61.28 -46.45 90.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' A' ' 45' ' ' ARG . 5.5 m-85 -110.08 118.64 36.95 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.376 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt . . . . . 0 C--O 1.221 -0.396 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.445 179.908 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 55.01 50.6 15.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.805 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -65.12 -37.1 86.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.039 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 80.9 p -61.9 -22.55 65.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.481 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 5.8 m -78.74 0.77 25.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.494 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -43.65 152.72 0.42 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.555 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.24 -25.07 64.93 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.626 2.217 . . . . 0.0 112.025 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.551 ' N ' HD12 ' B' ' 26' ' ' LEU . 9.9 mp -62.93 -45.06 94.28 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.604 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.2 t -68.06 -45.9 82.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.661 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.66 -44.43 98.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.41 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.68 96.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.521 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.78 -50.25 66.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.911 0.386 . . . . 0.0 110.658 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -62.78 -42.98 99.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.733 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.519 HG22 HD12 ' B' ' 36' ' ' LEU . 90.2 mt -62.1 -41.93 93.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 68.5 mt -58.27 -43.3 85.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.783 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.89 -49.91 73.46 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.222 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 43.2 mm -63.58 -47.6 90.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.189 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.519 HD12 HG22 ' B' ' 32' ' ' ILE . 44.1 mt -62.01 -43.76 98.14 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.141 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 37' ' ' HIS . . . . . . . . . . . . . 26.1 t-80 -65.32 -41.93 93.5 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.822 -179.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.523 ' O ' HG22 ' B' ' 42' ' ' ILE . 2.4 mt -62.17 -40.49 96.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.741 -179.344 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.45 -44.63 98.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.519 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 58.5 mt -74.2 -41.87 60.71 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.022 0.439 . . . . 0.0 111.11 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.1 t90 -68.34 -46.45 70.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.938 -178.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.523 HG22 ' O ' ' B' ' 38' ' ' LEU . 18.6 tt -61.54 -38.38 80.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.21 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.622 HD23 ' O ' ' B' ' 43' ' ' LEU . 1.5 tt -61.95 -41.46 98.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.18 0.514 . . . . 0.0 109.922 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.505 ' OD1' ' NH2' ' C' ' 45' ' ' ARG . 99.8 m-20 -59.37 -41.55 89.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.461 -179.442 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.539 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 70.8 ttt180 -65.32 -21.84 66.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.998 0.428 . . . . 0.0 110.265 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.616 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.4 tt -61.74 -45.95 91.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.2 0.524 . . . . 0.0 110.335 -179.205 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -61.25 -46.44 90.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.436 ' O ' ' O ' ' B' ' 45' ' ' ARG . 5.5 m-85 -110.16 118.67 37.0 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.411 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.297 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 54.96 50.4 15.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.68 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -64.9 -36.97 86.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.071 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 84.0 p -61.88 -22.5 65.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.542 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 5.8 m -78.84 0.81 25.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.501 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -43.72 152.65 0.43 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.635 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.16 -25.06 65.48 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.583 2.189 . . . . 0.0 111.972 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.547 ' N ' HD12 ' C' ' 26' ' ' LEU . 9.9 mp -63.0 -44.89 94.77 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.58 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.05 -46.17 82.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.59 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.61 -44.44 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.603 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.71 95.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.595 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.82 -50.13 66.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.633 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -62.91 -42.9 99.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.788 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.513 HG22 HD12 ' C' ' 36' ' ' LEU . 91.5 mt -62.05 -41.82 92.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.797 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 68.6 mt -58.45 -43.24 86.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.662 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -49.81 74.53 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 120.581 -0.818 . . . . 0.0 111.244 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 43.8 mm -63.7 -47.59 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.218 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.513 HD12 HG22 ' C' ' 32' ' ' ILE . 44.0 mt -62.02 -43.55 98.59 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.12 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 37' ' ' HIS . . . . . . . . . . . . . 26.3 t-80 -65.47 -41.87 92.86 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.764 -179.754 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.531 ' O ' HG22 ' C' ' 42' ' ' ILE . 2.3 mt -62.34 -40.29 95.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 79.0 mt -61.61 -44.58 98.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.523 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 59.7 mt -74.2 -42.01 60.49 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.952 0.406 . . . . 0.0 111.094 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 74.9 t90 -68.27 -46.69 69.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.848 -178.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.531 HG22 ' O ' ' C' ' 38' ' ' LEU . 18.7 tt -61.5 -38.26 79.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.193 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.622 HD23 ' O ' ' C' ' 43' ' ' LEU . 1.5 tt -62.0 -41.49 98.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.208 0.528 . . . . 0.0 109.883 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.525 ' OD1' ' NH2' ' D' ' 45' ' ' ARG . 99.8 m-20 -59.28 -41.69 89.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.466 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.505 ' NH2' ' OD1' ' B' ' 44' ' ' ASP . 70.3 ttt180 -65.31 -21.68 66.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.324 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.626 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.5 tt -61.65 -46.16 90.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.279 0.561 . . . . 0.0 110.263 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -61.16 -46.71 89.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.752 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.443 ' O ' ' O ' ' C' ' 45' ' ' ARG . 5.5 m-85 -109.84 118.67 37.12 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.485 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.895 -1.05 . . . . 0.0 110.408 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 22.7 m . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 54.61 51.05 14.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.718 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -65.17 -36.98 85.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.162 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 80.4 p -62.02 -22.34 65.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.979 0.419 . . . . 0.0 110.518 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 5.8 m -78.79 0.67 26.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.567 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -43.71 152.6 0.43 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.526 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.14 -25.08 65.68 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.573 2.182 . . . . 0.0 112.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.553 ' N ' HD12 ' D' ' 26' ' ' LEU . 9.9 mp -62.93 -44.97 94.63 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.574 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 82.1 t -67.96 -46.27 82.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.623 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.52 -44.51 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.506 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.67 96.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.634 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.85 -50.07 67.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.857 0.361 . . . . 0.0 110.704 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -62.83 -42.89 99.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.8 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.501 HG22 HD12 ' D' ' 36' ' ' LEU . 91.5 mt -62.13 -41.78 92.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.814 -179.666 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 68.3 mt -58.53 -43.2 86.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.72 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -49.86 74.02 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.258 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mm -63.56 -47.62 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.208 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 36' ' ' LEU . . . . . 0.501 HD12 HG22 ' D' ' 32' ' ' ILE . 45.4 mt -61.87 -43.77 98.17 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.125 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 37' ' ' HIS . . . . . . . . . . . . . 26.2 t-80 -65.48 -41.78 92.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.767 -179.683 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.521 ' O ' HG22 ' D' ' 42' ' ' ILE . 2.4 mt -62.36 -40.35 96.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.52 -44.63 98.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.551 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 59.0 mt -74.26 -42.01 60.34 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.132 0.492 . . . . 0.0 111.187 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 75.3 t90 -68.19 -46.61 70.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.857 -178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.521 HG22 ' O ' ' D' ' 38' ' ' LEU . 18.6 tt -61.49 -38.25 79.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.238 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.62 HD23 ' O ' ' D' ' 43' ' ' LEU . 1.5 tt -62.0 -41.43 98.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.234 0.54 . . . . 0.0 109.965 -179.211 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.522 ' OD1' ' NH2' ' A' ' 45' ' ' ARG . 99.9 m-20 -59.4 -41.41 89.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.446 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.525 ' NH2' ' OD1' ' C' ' 44' ' ' ASP . 70.6 ttt180 -65.45 -21.88 66.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.296 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.626 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.5 tt -61.67 -45.98 91.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.166 0.507 . . . . 0.0 110.239 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -61.26 -46.59 89.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.746 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' D' ' 45' ' ' ARG . 5.4 m-85 -109.93 118.4 36.36 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.348 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.418 179.839 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 0.663 'BR ' ' CA ' ' A' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 55.78 35.71 25.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.642 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.66 -38.09 89.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.681 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -59.4 -43.92 92.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.588 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.2 p -148.14 119.54 7.88 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.882 0.372 . . . . 0.0 110.46 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 0.8 OUTLIER -62.06 151.91 79.24 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.417 -179.448 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.09 -21.9 48.29 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.614 2.21 . . . . 0.0 111.679 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.547 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -62.09 -47.82 82.94 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.401 -178.719 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.8 t -63.57 -44.67 98.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.346 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.42 -43.77 97.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.383 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -39.85 85.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.547 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.96 -46.39 78.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.527 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -67.08 -39.79 86.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.771 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ILE . . . . . 0.407 ' O ' ' CB ' ' A' ' 36' ' ' LEU . 95.2 mt -64.27 -42.96 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.587 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.56 -44.65 97.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.745 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.46 -48.55 23.28 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.418 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.41 -45.52 92.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.771 0.319 . . . . 0.0 110.835 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 32' ' ' ILE . 46.9 tp -63.34 -44.94 93.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.56 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.4 t60 -59.77 -40.56 88.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.337 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.476 HD21 ' ND1' ' D' ' 37' ' ' HIS . 14.4 mt -61.4 -39.86 92.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.046 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.0 -47.19 90.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.327 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.62 -44.27 62.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.085 0.469 . . . . 0.0 111.168 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -65.52 -35.65 81.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.844 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 38' ' ' LEU . 2.6 mm -63.48 -44.68 98.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.31 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.8 mt -61.19 -40.24 93.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.551 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 48' ' ' PHE . 55.3 t0 -63.11 -32.79 74.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.605 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -59.11 -44.44 91.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.487 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 46' ' ' LEU . 11.2 mp -63.86 -42.17 97.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.614 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -100.58 21.87 12.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.805 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.457 ' O ' ' CG ' ' A' ' 48' ' ' PHE . 2.4 p90 -50.15 128.42 19.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.442 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.85 -1.072 . . . . 0.0 110.485 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 91.1 m-20 55.9 35.59 25.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.647 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.34 -38.24 90.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.4 t -59.07 -44.14 91.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.669 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 95.4 p -148.03 119.62 7.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.48 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 24' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 0.8 OUTLIER -62.04 151.86 79.31 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.524 -179.463 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.98 -21.86 49.06 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.565 2.177 . . . . 0.0 111.782 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.545 HD13 ' O ' ' B' ' 26' ' ' LEU . 0.2 OUTLIER -62.21 -47.42 84.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.294 0.568 . . . . 0.0 110.331 -178.723 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 95.5 t -63.87 -44.58 98.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.386 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.8 t -61.44 -43.91 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.358 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.2 86.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.435 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.92 77.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.506 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 78.0 p -66.63 -39.94 88.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.809 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 32' ' ' ILE . . . . . 0.404 ' O ' ' CB ' ' B' ' 36' ' ' LEU . 94.7 mt -64.31 -42.89 96.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.649 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 74.0 mt -60.54 -44.76 97.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.716 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.3 -48.75 23.41 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.425 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.18 -45.66 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.899 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 36' ' ' LEU . . . . . 0.404 ' CB ' ' O ' ' B' ' 32' ' ' ILE . 46.8 tp -63.18 -44.86 94.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.096 0.474 . . . . 0.0 110.875 -179.154 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.42 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.7 t60 -59.8 -40.29 87.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.312 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.56 HD21 ' ND1' ' A' ' 37' ' ' HIS . 14.7 mt -61.64 -39.77 92.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 92.9 mt -59.11 -47.13 91.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.462 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.69 -43.62 62.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.089 0.471 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -66.38 -35.02 79.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.028 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' B' ' 38' ' ' LEU . 2.6 mm -63.93 -44.74 98.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.268 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.4 mt -61.16 -40.33 93.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 44' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' B' ' 48' ' ' PHE . 55.1 t0 -63.08 -32.55 73.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.631 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -59.43 -44.5 92.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.579 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.485 ' N ' HD12 ' B' ' 46' ' ' LEU . 11.2 mp -63.65 -42.37 98.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.648 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -100.43 21.58 12.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.792 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' B' ' 44' ' ' ASP . 2.4 p90 -49.68 128.47 17.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.465 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.417 179.838 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 38.7 m . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 90.8 m-20 55.72 35.44 25.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.703 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.27 -38.31 90.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.1 t -58.95 -44.24 91.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.678 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 90.2 p -148.13 119.83 8.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.938 0.399 . . . . 0.0 110.363 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 24' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' C' ' 24' ' ' ASP . 0.8 OUTLIER -62.41 151.81 81.68 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.475 -179.43 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.73 -22.08 50.51 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.552 2.168 . . . . 0.0 111.766 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.551 ' O ' HD13 ' C' ' 26' ' ' LEU . 0.2 OUTLIER -62.13 -47.55 84.08 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.421 -178.712 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.76 -44.63 98.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.348 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.54 -44.11 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.333 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.43 -40.18 85.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.475 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.72 -46.37 77.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.57 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 78.3 p -66.99 -39.87 87.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.755 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 32' ' ' ILE . . . . . 0.408 ' O ' ' CB ' ' C' ' 36' ' ' LEU . 94.2 mt -64.29 -42.88 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.618 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.37 -44.84 96.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.731 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.29 -48.92 22.66 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.508 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.07 -45.54 94.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.896 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 36' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' C' ' 32' ' ' ILE . 46.9 tp -63.22 -44.84 94.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.01 0.433 . . . . 0.0 110.906 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.523 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -59.88 -40.41 88.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.414 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.42 HD21 ' ND1' ' B' ' 37' ' ' HIS . 14.6 mt -61.52 -39.94 92.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 93.8 mt -58.82 -47.52 89.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 C-N-CA 120.156 -0.617 . . . . 0.0 110.406 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 87.5 mt -72.38 -44.04 63.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.07 0.462 . . . . 0.0 111.26 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -65.81 -35.45 80.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.966 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' C' ' 38' ' ' LEU . 2.6 mm -63.63 -44.85 98.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.248 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 66.8 mt -61.06 -40.53 94.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.614 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 44' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' C' ' 48' ' ' PHE . 54.6 t0 -62.82 -32.8 74.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.605 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -59.09 -44.43 91.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.617 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.485 ' N ' HD12 ' C' ' 46' ' ' LEU . 11.3 mp -63.78 -42.11 97.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.654 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -100.74 21.8 12.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.796 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' C' ' 44' ' ' ASP . 2.4 p90 -50.05 128.48 18.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.451 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.538 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 32.8 m . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 90.9 m-20 55.67 35.74 25.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.526 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -63.58 -37.97 89.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.549 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -59.34 -44.05 92.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.639 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 97.0 p -148.14 119.63 7.94 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.797 0.332 . . . . 0.0 110.327 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 24' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' D' ' 24' ' ' ASP . 0.8 OUTLIER -62.14 152.09 79.19 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.491 -179.462 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.05 -22.15 48.16 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.542 2.161 . . . . 0.0 111.775 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.559 HD13 ' O ' ' D' ' 26' ' ' LEU . 0.2 OUTLIER -62.05 -47.27 85.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.23 0.538 . . . . 0.0 110.414 -178.682 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 95.6 t -64.08 -44.57 97.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.372 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 84.2 t -61.48 -43.99 97.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -40.3 86.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.422 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.82 -46.36 78.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.532 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 77.9 p -67.21 -39.52 86.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.771 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 32' ' ' ILE . . . . . 0.403 ' O ' ' CB ' ' D' ' 36' ' ' LEU . 94.2 mt -64.54 -42.81 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.615 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 74.6 mt -60.43 -44.97 97.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.803 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 34' ' ' GLY . . . . . 0.988 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -72.3 -48.8 23.15 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.365 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.0 -45.65 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.79 0.328 . . . . 0.0 110.956 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 36' ' ' LEU . . . . . 0.403 ' CB ' ' O ' ' D' ' 32' ' ' ILE . 47.3 tp -63.36 -44.52 94.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.027 0.441 . . . . 0.0 110.916 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.476 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.6 t60 -60.05 -40.11 88.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.405 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.523 HD21 ' ND1' ' C' ' 37' ' ' HIS . 14.8 mt -61.76 -39.85 93.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.005 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 93.8 mt -58.93 -47.46 89.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.445 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.45 -43.83 63.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.073 0.464 . . . . 0.0 111.21 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -66.11 -35.37 80.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.939 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.405 ' CG1' ' O ' ' D' ' 38' ' ' LEU . 2.6 mm -63.61 -44.72 98.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.187 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.23 -40.29 93.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.626 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 44' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' D' ' 48' ' ' PHE . 55.5 t0 -63.1 -32.89 74.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.552 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.401 HH12 ' HB2' ' C' ' 44' ' ' ASP . 61.0 ttt85 -58.97 -44.48 91.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.551 -179.477 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.492 HD12 ' N ' ' D' ' 46' ' ' LEU . 11.3 mp -63.66 -42.27 98.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.827 0.346 . . . . 0.0 110.704 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -100.66 21.59 13.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.779 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' D' ' 44' ' ' ASP . 2.4 p90 -49.69 128.46 17.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.383 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.824 -1.084 . . . . 0.0 110.489 179.83 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 0.988 'BR ' ' HA3' ' D' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -67.28 -24.38 65.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.562 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.12 -40.43 95.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.398 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 23' ' ' SER . 78.1 p -62.71 -38.61 91.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.797 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 22' ' ' SER . 24.2 p 45.12 97.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.656 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.68 151.47 82.61 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.604 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.22 -20.72 55.82 Favored 'Trans proline' 0 C--N 1.308 -1.569 0 C-N-CA 122.787 2.325 . . . . 0.0 112.008 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LEU . . . . . 0.552 ' N ' HD12 ' A' ' 26' ' ' LEU . 9.2 mp -67.14 -39.92 86.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.429 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.14 -55.78 20.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -178.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' VAL . . . . . 0.531 HG13 ' N ' ' A' ' 29' ' ' ALA . 7.2 p -64.21 -42.95 97.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ALA . . . . . 0.531 ' N ' HG13 ' A' ' 28' ' ' VAL . . . -57.39 -44.23 84.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.438 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.28 -50.77 66.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.564 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.4 m -60.52 -42.75 97.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.704 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 94.0 mt -63.19 -42.48 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.428 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.529 HG23 HD11 ' B' ' 38' ' ' LEU . 72.3 mt -60.99 -43.92 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.641 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.01 -52.62 39.98 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.72 -44.42 93.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.659 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.75 -44.6 95.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.677 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -64.5 -38.91 92.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.498 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.645 HD21 ' ND1' ' D' ' 37' ' ' HIS . 11.8 mt -61.35 -39.93 92.4 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.137 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.04 -44.05 98.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.14 0.495 . . . . 0.0 110.365 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.4 mt -73.77 -41.17 62.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.944 0.402 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -70.48 -45.86 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.575 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 38' ' ' LEU . 18.2 tt -63.56 -39.9 87.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.293 -178.613 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' LEU . . . . . 0.446 ' N ' HG23 ' A' ' 42' ' ' ILE . 35.7 mt -62.44 -41.57 98.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.681 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -59.94 -42.22 93.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -65.84 -23.74 66.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.541 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.0 tt -61.79 -45.86 92.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.051 0.453 . . . . 0.0 110.291 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -62.9 -41.59 99.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.598 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -79.9 144.43 33.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.471 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.523 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -66.99 -25.01 66.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.411 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.59 -41.21 97.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.342 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 22' ' ' SER . . . . . 0.434 ' O ' ' O ' ' B' ' 23' ' ' SER . 78.1 p -61.92 -38.83 89.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 23' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' B' ' 23' ' ' SER . 20.6 p 45.52 97.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.696 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.61 151.44 82.76 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.632 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.11 -21.11 56.26 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.783 2.322 . . . . 0.0 111.992 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 26' ' ' LEU . . . . . 0.546 ' N ' HD12 ' B' ' 26' ' ' LEU . 9.3 mp -66.62 -39.95 88.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.507 -179.552 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 97.1 t -64.19 -55.77 20.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 28' ' ' VAL . . . . . 0.53 HG13 ' N ' ' B' ' 29' ' ' ALA . 7.2 p -64.11 -43.04 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.611 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 29' ' ' ALA . . . . . 0.53 ' N ' HG13 ' B' ' 28' ' ' VAL . . . -57.33 -44.57 84.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.405 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.02 -50.3 66.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.646 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -61.36 -42.4 98.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.681 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.14 -42.28 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.507 HG23 HD11 ' C' ' 38' ' ' LEU . 73.7 mt -61.28 -44.01 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.625 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.74 -52.66 40.49 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.85 -44.66 92.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.942 0.401 . . . . 0.0 110.718 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.51 -44.89 95.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.055 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.673 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.3 t60 -64.12 -39.57 94.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.481 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.677 HD21 ' ND1' ' A' ' 37' ' ' HIS . 11.4 mt -60.77 -40.08 91.17 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.082 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.85 -43.89 98.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.028 0.442 . . . . 0.0 110.357 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.6 mt -73.93 -41.41 62.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.982 0.42 . . . . 0.0 110.875 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -70.05 -45.91 66.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.567 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.533 HG22 ' O ' ' B' ' 38' ' ' LEU . 18.1 tt -63.47 -40.49 89.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.326 -178.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 43' ' ' LEU . . . . . 0.458 ' N ' HG23 ' B' ' 42' ' ' ILE . 35.8 mt -61.86 -41.38 97.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -60.35 -42.2 95.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.432 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -65.82 -23.77 66.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.494 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 46' ' ' LEU . . . . . 0.629 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.0 tt -61.72 -46.03 91.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.098 0.475 . . . . 0.0 110.333 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -62.72 -42.07 99.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.507 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.4 144.81 33.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.555 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.89 -1.052 . . . . 0.0 110.464 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -67.04 -24.97 66.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.521 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.51 -40.62 95.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 22' ' ' SER . . . . . 0.435 ' O ' ' O ' ' C' ' 23' ' ' SER . 78.1 p -62.58 -38.49 90.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.656 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 23' ' ' SER . . . . . 0.435 ' O ' ' O ' ' C' ' 22' ' ' SER . 24.5 p 45.06 97.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.676 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -76.32 151.85 83.55 Favored Pre-proline 0 N--CA 1.452 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.595 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.52 -20.77 53.75 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.677 2.251 . . . . 0.0 112.04 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 26' ' ' LEU . . . . . 0.542 ' N ' HD12 ' C' ' 26' ' ' LEU . 9.3 mp -67.01 -40.09 87.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.485 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 97.9 t -63.94 -55.84 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 28' ' ' VAL . . . . . 0.541 HG13 ' N ' ' C' ' 29' ' ' ALA . 7.5 p -64.23 -42.99 97.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.472 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 29' ' ' ALA . . . . . 0.541 ' N ' HG13 ' C' ' 28' ' ' VAL . . . -57.4 -44.31 84.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.443 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.21 -50.52 66.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.563 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -60.99 -42.85 99.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.619 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.11 -42.19 95.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.311 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.531 HG23 HD11 ' D' ' 38' ' ' LEU . 72.4 mt -61.17 -43.58 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.725 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 34' ' ' GLY . . . . . 0.654 ' CA ' 'BR ' ' C' ' 100' ' ' 3LW . . . -65.4 -52.63 38.27 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.6 -44.61 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.653 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.6 -44.59 95.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.658 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -64.24 -39.3 93.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.456 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.673 HD21 ' ND1' ' B' ' 37' ' ' HIS . 11.4 mt -61.28 -39.69 91.36 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.332 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.25 -43.81 98.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.938 0.399 . . . . 0.0 110.287 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 mt -73.95 -41.26 62.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.952 0.406 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 t90 -70.29 -46.26 64.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.588 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.551 HG22 ' O ' ' C' ' 38' ' ' LEU . 18.3 tt -63.18 -40.19 88.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.423 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 43' ' ' LEU . . . . . 0.461 ' N ' HG23 ' C' ' 42' ' ' ILE . 35.3 mt -62.13 -41.52 98.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.619 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -60.14 -41.97 93.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.465 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -66.01 -23.65 66.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.971 0.415 . . . . 0.0 110.597 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 46' ' ' LEU . . . . . 0.64 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.0 tt -61.9 -45.87 91.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.024 0.44 . . . . 0.0 110.332 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -62.81 -41.66 99.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.604 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -79.67 145.07 33.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.508 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.501 -179.851 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -67.08 -25.19 66.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.446 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.25 -41.08 96.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.411 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 22' ' ' SER . . . . . 0.435 ' O ' ' O ' ' D' ' 23' ' ' SER . 78.1 p -61.94 -39.17 91.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.591 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 23' ' ' SER . . . . . 0.435 ' O ' ' O ' ' D' ' 22' ' ' SER . 22.0 p 45.64 97.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.682 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -76.47 151.9 83.25 Favored Pre-proline 0 N--CA 1.452 -0.373 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.671 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.43 -20.96 54.24 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.715 2.277 . . . . 0.0 112.0 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 26' ' ' LEU . . . . . 0.554 ' N ' HD12 ' D' ' 26' ' ' LEU . 9.2 mp -66.97 -39.74 87.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.467 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.36 -55.52 21.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 28' ' ' VAL . . . . . 0.533 HG13 ' N ' ' D' ' 29' ' ' ALA . 7.3 p -64.37 -42.94 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.581 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 29' ' ' ALA . . . . . 0.533 ' N ' HG13 ' D' ' 28' ' ' VAL . . . -57.54 -44.24 85.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.423 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.19 -50.36 67.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.564 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 49.1 m -61.27 -42.49 98.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.676 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.2 -42.31 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.527 HG23 HD11 ' A' ' 38' ' ' LEU . 72.7 mt -61.16 -44.04 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.568 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.93 -52.73 39.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.4 -44.93 94.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.978 0.418 . . . . 0.0 110.739 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.37 -45.02 95.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.072 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.645 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -63.8 -39.49 94.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.435 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.658 HD21 ' ND1' ' C' ' 37' ' ' HIS . 11.7 mt -61.11 -39.93 91.82 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.243 -179.313 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.8 -43.93 98.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.107 0.479 . . . . 0.0 110.316 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 55.2 mt -73.94 -41.43 62.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.992 0.425 . . . . 0.0 110.82 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -70.17 -45.72 66.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.634 -178.634 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.553 HG22 ' O ' ' D' ' 38' ' ' LEU . 18.1 tt -63.81 -39.59 85.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.342 -178.628 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 43' ' ' LEU . . . . . 0.444 ' N ' HG23 ' D' ' 42' ' ' ILE . 35.6 mt -62.78 -40.87 98.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.737 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -60.85 -41.86 96.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.499 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -66.02 -23.67 66.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 46' ' ' LEU . . . . . 0.632 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.0 tt -62.04 -45.73 92.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.24 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -62.73 -42.16 99.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.619 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -79.42 144.93 33.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.619 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.467 -179.773 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 0.654 'BR ' ' CA ' ' C' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.15 -40.16 96.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.404 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.96 -42.67 99.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.517 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.8 m -60.98 -42.92 99.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.7 p -101.12 87.12 3.17 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.12 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.97 150.0 67.92 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.478 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -68.21 -16.97 45.05 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.672 2.248 . . . . 0.0 112.191 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.27 -42.09 99.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.706 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.82 -47.18 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.217 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.3 t -65.97 -43.43 92.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.329 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.56 -31.02 63.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.349 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.68 -42.04 61.84 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.562 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -68.41 -44.36 75.19 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.007 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.25 -35.89 76.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.546 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' ILE . . . . . 0.592 HG23 HD11 ' B' ' 38' ' ' LEU . 31.8 mt -62.2 -45.71 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.74 -52.01 55.12 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.171 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ILE . . . . . 0.409 HD11 HD11 ' D' ' 33' ' ' ILE . 37.5 mm -68.42 -44.34 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.18 -46.38 89.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.607 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' HIS . . . . . 0.63 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -64.93 -41.49 95.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.246 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' LEU . . . . . 0.577 HD11 HG23 ' D' ' 33' ' ' ILE . 9.4 mt -60.92 -40.94 95.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.406 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.87 -44.56 99.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.227 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.76 -43.28 69.13 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.206 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' TRP . . . . . 0.415 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 71.5 t90 -69.06 -46.75 67.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.493 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.3 tt -65.24 -39.67 86.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.953 0.406 . . . . 0.0 110.291 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.12 -41.66 98.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.35 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.21 -41.22 98.17 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.482 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 48' ' ' PHE . 54.3 ttp180 -77.34 -15.61 59.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.852 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.3 tp -60.43 -47.37 86.41 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.294 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -74.19 -40.61 62.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PHE . . . . . 0.422 ' O ' ' O ' ' A' ' 45' ' ' ARG . 2.9 m-85 -114.03 126.29 54.95 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.439 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 mttp . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.451 179.761 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.06 -40.19 96.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.473 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.1 -42.48 99.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.526 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 36.7 m -61.1 -42.84 99.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 51.1 p -101.13 86.92 3.13 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.103 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.84 149.91 68.19 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.462 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -68.13 -17.06 45.49 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 122.693 2.262 . . . . 0.0 112.145 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 78.7 mt -62.21 -42.08 98.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.85 -47.09 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.938 0.399 . . . . 0.0 110.196 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.0 -43.34 92.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.349 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.67 -30.79 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.259 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.01 -41.96 61.07 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.52 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 77.6 p -68.42 -44.39 75.11 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.025 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.42 -35.76 76.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.573 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 33' ' ' ILE . . . . . 0.593 HG23 HD11 ' C' ' 38' ' ' LEU . 32.0 mt -62.23 -45.57 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.198 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.85 -52.03 54.9 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.128 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 35' ' ' ILE . . . . . 0.46 HD11 HD11 ' A' ' 33' ' ' ILE . 38.8 mm -68.31 -44.46 83.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.798 0.333 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.13 -46.38 89.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.58 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 37' ' ' HIS . . . . . 0.55 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.0 t60 -65.1 -41.34 95.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.418 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 38' ' ' LEU . . . . . 0.63 HD21 ' ND1' ' A' ' 37' ' ' HIS . 8.8 mt -60.96 -40.93 95.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.37 -179.25 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.99 -44.42 99.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.22 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.82 -43.39 68.69 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.145 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 41' ' ' TRP . . . . . 0.407 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 71.5 t90 -68.86 -46.8 67.54 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.647 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 42' ' ' ILE . . . . . 0.551 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.3 tt -65.22 -39.72 86.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.276 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.05 -41.62 98.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.434 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.18 -41.18 98.08 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.594 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 45' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' B' ' 48' ' ' PHE . 54.4 ttp180 -77.4 -15.55 59.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 48.2 tp -60.37 -47.52 85.72 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.277 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -74.0 -40.69 62.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.036 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 48' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' B' ' 45' ' ' ARG . 2.9 m-85 -114.01 126.37 55.05 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.427 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 mttp . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.47 179.784 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.21 -40.19 96.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.344 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.1 -42.52 99.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.538 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 35.1 m -61.0 -42.93 99.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 50.7 p -101.07 87.02 3.16 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.129 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.86 149.9 68.1 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.473 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -68.23 -16.92 44.89 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.727 2.285 . . . . 0.0 112.148 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.29 -42.17 99.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.702 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 90.9 t -62.82 -47.08 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.23 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 92.9 t -65.95 -43.44 92.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.402 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.51 -30.98 63.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.314 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.76 -42.08 61.57 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.582 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 77.8 p -68.45 -44.19 75.44 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.076 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.45 -35.97 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.468 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 33' ' ' ILE . . . . . 0.567 HG23 HD11 ' D' ' 38' ' ' LEU . 32.5 mt -62.07 -45.69 98.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.154 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.49 -52.3 53.42 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.153 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 35' ' ' ILE . . . . . 0.482 HD11 HD11 ' B' ' 33' ' ' ILE . 39.2 mm -68.25 -44.41 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.71 0.291 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.12 -46.45 88.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.67 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 37' ' ' HIS . . . . . 0.619 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.9 t60 -64.97 -41.2 95.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.389 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 38' ' ' LEU . . . . . 0.593 HD11 HG23 ' B' ' 33' ' ' ILE . 9.3 mt -60.98 -41.1 95.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.304 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.8 -44.48 99.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.134 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.85 -43.3 68.76 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.177 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 71.9 t90 -68.94 -46.76 67.38 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.623 -179.319 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 42' ' ' ILE . . . . . 0.56 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.3 tt -65.22 -39.68 86.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.327 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.09 -41.59 98.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.418 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.2 -41.22 98.16 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.592 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 45' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' C' ' 48' ' ' PHE . 54.4 ttp180 -77.44 -15.59 59.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.779 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 47.8 tp -60.42 -47.43 86.13 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.283 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -74.03 -40.68 62.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.973 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' C' C ' 48' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' C' ' 45' ' ' ARG . 3.0 m-85 -114.1 126.41 55.06 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.423 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttp . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.479 179.806 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.09 -40.2 96.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.384 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.02 -42.58 99.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.535 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.9 m -61.05 -42.92 99.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.741 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 50.2 p -101.18 87.49 3.26 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.014 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.21 150.06 67.21 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.429 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -68.37 -16.85 44.09 Favored 'Trans proline' 0 N--CA 1.497 1.68 0 C-N-CA 122.71 2.273 . . . . 0.0 112.077 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.42 -42.0 99.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.72 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 87.7 t -63.1 -46.94 94.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.811 -0.355 . . . . 0.0 110.197 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 92.6 t -65.96 -43.45 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.369 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.6 -30.83 63.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.389 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 30' ' ' ALA . . . . . 0.409 ' HB1' ' S ' ' C' ' 100' ' ' 3LW . . . -73.84 -42.07 61.38 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.533 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 77.9 p -68.6 -44.27 74.68 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.948 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 20.3 tt -65.22 -36.12 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.566 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 33' ' ' ILE . . . . . 0.577 HG23 HD11 ' A' ' 38' ' ' LEU . 32.0 mt -62.06 -45.72 98.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.148 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 34' ' ' GLY . . . . . 0.56 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -60.62 -52.17 54.15 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.198 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 35' ' ' ILE . . . . . 0.474 HD11 HD11 ' C' ' 33' ' ' ILE . 39.0 mm -68.3 -44.34 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.2 -46.24 89.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.799 0.333 . . . . 0.0 110.605 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 37' ' ' HIS . . . . . 0.557 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.9 t60 -65.13 -41.34 94.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.345 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 38' ' ' LEU . . . . . 0.619 HD21 ' ND1' ' C' ' 37' ' ' HIS . 8.8 mt -60.88 -41.0 95.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.389 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.97 -44.43 99.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.225 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.95 -43.24 68.56 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.116 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 41' ' ' TRP . . . . . 0.405 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 71.4 t90 -68.96 -46.75 67.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.603 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 42' ' ' ILE . . . . . 0.559 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.3 tt -65.31 -39.6 85.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.861 0.362 . . . . 0.0 110.351 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.17 -41.59 98.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.394 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.23 -41.26 98.24 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.553 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 45' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' D' ' 48' ' ' PHE . 54.5 ttp180 -77.37 -15.52 59.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.824 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 48.3 tp -60.36 -47.64 85.16 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.27 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -74.0 -40.55 62.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.007 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' D' D ' 48' ' ' PHE . . . . . 0.429 ' O ' ' O ' ' D' ' 45' ' ' ARG . 2.9 m-85 -114.01 126.29 54.96 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.433 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 mttp . . . . . 0 C--O 1.222 -0.375 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.447 179.771 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' C' C ' 100' ' ' 3LW . . . . . 0.56 'BR ' ' HA3' ' D' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.7 t . . . . . 0 C--O 1.233 0.2 0 CA-C-O 120.983 0.42 . . . . 0.0 110.501 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.66 -43.89 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.252 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.57 94.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.51 -50.26 68.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.534 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -61.96 -42.1 98.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.673 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.49 -42.45 96.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.655 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.95 -45.02 99.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.718 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.9 -50.83 38.46 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.344 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.85 -43.95 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.624 0.25 . . . . 0.0 111.008 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.89 -46.38 89.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.975 0.417 . . . . 0.0 110.88 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.434 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.4 t60 -59.68 -39.55 84.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.212 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.435 HD21 ' ND1' ' D' ' 37' ' ' HIS . 14.2 mt -62.31 -38.01 87.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.814 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 90.2 mt -59.93 -45.53 95.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.13 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.17 -44.34 60.09 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.46 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.403 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 85.1 t90 -65.78 -40.04 91.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.996 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.54 -43.38 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.329 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.6 mt -61.52 -39.84 92.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.426 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.3 t70 . . . . . 0 C--N 1.324 -0.531 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.618 -179.972 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 97.7 t . . . . . 0 C--O 1.231 0.119 0 CA-C-O 120.842 0.353 . . . . 0.0 110.325 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.72 94.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.478 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.66 -50.2 68.76 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.663 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -61.91 -41.92 98.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.604 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.56 -42.4 96.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.714 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.02 -44.99 99.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.739 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.09 -50.75 37.92 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.278 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.73 -44.01 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.63 0.252 . . . . 0.0 111.002 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.9 -46.42 89.44 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.973 0.416 . . . . 0.0 110.922 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.469 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.3 t60 -59.57 -39.61 84.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.286 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.434 HD21 ' ND1' ' A' ' 37' ' ' HIS . 14.3 mt -62.34 -38.04 87.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.793 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.92 -45.56 95.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.109 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.3 mt -73.08 -44.48 60.42 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.482 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 85.1 t90 -65.71 -39.98 91.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.05 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.52 -43.31 96.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.363 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.55 -39.9 92.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.448 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 C--N 1.323 -0.546 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.676 -179.983 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 96.3 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.837 0.351 . . . . 0.0 110.339 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.55 94.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.6 -50.25 68.51 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.585 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 51.6 m -62.0 -42.05 98.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.667 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.49 -42.4 96.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.718 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.9 -45.06 98.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.757 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.15 -50.67 38.08 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.377 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.79 -43.87 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.671 0.272 . . . . 0.0 111.008 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.97 -46.46 89.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.91 0.386 . . . . 0.0 110.874 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.447 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.3 t60 -59.65 -39.45 84.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.266 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.469 HD21 ' ND1' ' B' ' 37' ' ' HIS . 14.1 mt -62.34 -38.03 87.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.822 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.94 -45.56 95.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.084 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.15 -44.46 60.04 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.458 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.402 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 85.2 t90 -65.69 -39.96 91.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.019 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.48 -43.39 96.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.277 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.65 -39.82 92.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.456 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 32.8 t70 . . . . . 0 C--N 1.324 -0.533 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.649 179.955 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.3 t . . . . . 0 C--O 1.233 0.23 0 CA-C-O 120.912 0.386 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.75 -43.81 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.328 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.67 94.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.56 -50.19 68.55 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.551 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 53.7 m -61.99 -42.02 98.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.611 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.56 -42.4 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.742 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.0 -45.07 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.718 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.01 -50.71 38.68 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.29 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.87 -43.91 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.023 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.95 -46.41 89.41 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.859 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.435 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.2 t60 -59.58 -39.58 84.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.216 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.447 HD21 ' ND1' ' C' ' 37' ' ' HIS . 14.2 mt -62.38 -38.02 87.97 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.6 mt -59.91 -45.47 95.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.084 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 87.3 mt -73.17 -44.53 59.76 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.451 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 85.2 t90 -65.64 -40.04 92.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.984 -179.521 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.46 -43.31 96.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.362 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.73 -39.74 92.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.413 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 32.9 t70 . . . . . 0 C--N 1.324 -0.529 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.598 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.9 t . . . . . 0 C--O 1.232 0.157 0 CA-C-O 120.99 0.424 . . . . 0.0 110.51 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.9 t -65.6 -43.8 93.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.191 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.92 -40.62 96.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.561 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.55 -49.36 72.87 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.475 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -62.11 -41.78 98.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.509 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.82 -42.34 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.2 mt -61.43 -44.56 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.932 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.11 -51.75 42.22 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.336 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.92 -44.52 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.727 0.298 . . . . 0.0 111.232 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.44 -44.42 94.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.639 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.606 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.2 t60 -60.34 -40.84 92.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.127 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.651 HD21 ' ND1' ' D' ' 37' ' ' HIS . 11.9 mt -61.23 -39.36 90.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.152 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.25 -44.31 98.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.893 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.46 ' N ' HD22 ' A' ' 40' ' ' LEU . 4.0 mm? -72.43 -43.41 63.85 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.348 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -69.31 -43.11 74.43 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.9 tt -63.84 -41.02 91.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.323 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -61.97 -44.13 97.4 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.791 0.329 . . . . 0.0 110.219 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 t70 . . . . . 0 C--N 1.331 -0.222 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.332 179.871 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 93.3 t . . . . . 0 C--O 1.232 0.137 0 CA-C-O 120.909 0.385 . . . . 0.0 110.266 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.41 95.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.551 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.57 -49.46 72.66 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.415 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.6 m -62.03 -41.85 98.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.52 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.79 -42.33 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.714 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.55 -44.42 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.804 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.28 -51.64 42.13 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.325 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.93 -44.61 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.703 0.287 . . . . 0.0 111.244 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.32 -44.42 95.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.624 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.655 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.2 t60 -60.38 -40.77 92.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.102 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.606 HD21 ' ND1' ' A' ' 37' ' ' HIS . 12.1 mt -61.42 -39.33 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.092 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.21 -44.35 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.851 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.451 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.0 mm? -72.36 -43.35 64.15 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.406 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -69.49 -43.12 73.79 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.519 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.9 tt -63.65 -41.13 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.435 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.548 ' O ' HD13 ' B' ' 43' ' ' LEU . 0.2 OUTLIER -61.74 -44.2 97.36 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.895 0.379 . . . . 0.0 110.255 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 25.9 t70 . . . . . 0 C--N 1.33 -0.255 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.369 179.921 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 93.2 t . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.847 0.356 . . . . 0.0 110.18 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.46 95.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.573 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.54 -49.48 72.53 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.398 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 50.4 m -62.04 -41.79 98.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.565 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.88 -42.28 95.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.693 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.49 -44.48 98.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.813 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.2 -51.75 41.75 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.369 -179.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.89 -44.58 92.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.669 0.271 . . . . 0.0 111.256 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.31 -44.47 94.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.378 . . . . 0.0 110.64 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.61 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.1 t60 -60.37 -40.75 91.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.06 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.655 HD21 ' ND1' ' B' ' 37' ' ' HIS . 11.9 mt -61.42 -39.29 90.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.114 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.22 -44.37 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.92 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.461 ' N ' HD22 ' C' ' 40' ' ' LEU . 4.0 mm? -72.31 -43.48 64.1 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.367 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -69.39 -43.02 74.35 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.519 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.8 tt -63.8 -41.01 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.417 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.547 ' O ' HD13 ' C' ' 43' ' ' LEU . 0.2 OUTLIER -62.02 -44.21 97.2 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.17 -179.549 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 25.5 t70 . . . . . 0 C--N 1.331 -0.204 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.363 179.854 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 73.7 t . . . . . 0 C--O 1.233 0.231 0 CA-C-O 120.891 0.376 . . . . 0.0 110.585 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.56 -43.81 94.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.287 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.63 96.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.586 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.59 -49.4 72.86 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.407 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -62.06 -41.77 98.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.595 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.92 -42.25 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.669 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.45 -44.56 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.892 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.12 -51.78 41.94 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.38 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.82 -44.62 92.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.689 0.281 . . . . 0.0 111.256 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.34 -44.44 94.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.637 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.651 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.2 t60 -60.38 -40.79 92.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.071 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.61 HD21 ' ND1' ' C' ' 37' ' ' HIS . 12.1 mt -61.42 -39.33 90.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.097 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.27 -44.33 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 119.89 -0.724 . . . . 0.0 109.911 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . 0.45 HD22 ' N ' ' D' ' 40' ' ' LEU . 4.0 mm? -72.28 -43.33 64.41 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.391 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 73.3 t90 -69.55 -42.98 73.85 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.51 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.9 tt -63.88 -40.91 90.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.402 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.556 HD13 ' O ' ' D' ' 43' ' ' LEU . 0.2 OUTLIER -61.82 -44.3 97.13 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 110.235 -179.626 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 26.1 t70 . . . . . 0 C--N 1.331 -0.216 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.385 179.877 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.3 t . . . . . 0 C--O 1.233 0.191 0 CA-C-O 121.005 0.431 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.1 t -64.57 -44.38 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.326 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.12 95.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.49 -50.02 68.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.519 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.0 t -62.91 -42.67 99.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.588 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.12 -42.4 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.642 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.2 mt -60.38 -44.79 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.815 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.65 -51.91 38.2 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.381 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.28 -43.43 95.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.679 0.276 . . . . 0.0 111.237 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.19 -46.38 90.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.56 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.7 t60 -59.85 -40.1 87.43 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.098 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.614 ' O ' HG22 ' A' ' 42' ' ' ILE . 9.2 mt -60.86 -39.19 88.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.18 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.103 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.473 ' N ' HD12 ' A' ' 40' ' ' LEU . 11.1 mp -72.81 -44.66 61.21 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.187 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 76.9 t90 -66.45 -46.44 76.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.504 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.3 tt -65.9 -32.64 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.412 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.56 -45.99 91.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.502 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--N 1.329 -0.283 0 CA-C-O 121.054 0.454 . . . . 0.0 110.371 -179.893 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 84.5 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.848 0.356 . . . . 0.0 110.348 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.96 95.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.6 -50.02 69.04 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.457 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 38.6 t -62.88 -42.74 99.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 110.622 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.13 -42.33 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.636 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 69.5 mt -60.59 -44.74 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.707 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.5 -51.95 38.67 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.463 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.28 -43.51 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 111.26 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.17 -46.38 90.72 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.068 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.556 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -59.9 -40.03 87.41 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.047 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.621 ' O ' HG22 ' B' ' 42' ' ' ILE . 9.0 mt -60.72 -39.27 88.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.1 -44.64 99.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.144 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.468 ' N ' HD12 ' B' ' 40' ' ' LEU . 11.0 mp -72.88 -44.64 61.07 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.138 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.414 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 77.0 t90 -66.17 -46.73 76.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.531 -179.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.621 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.3 tt -65.88 -32.51 58.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.846 0.355 . . . . 0.0 110.487 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.58 -45.89 92.26 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.599 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--N 1.33 -0.276 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.266 -179.893 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 83.5 t . . . . . 0 C--O 1.231 0.088 0 CA-C-O 120.865 0.364 . . . . 0.0 110.283 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.99 95.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.551 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.08 68.74 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.453 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 38.9 t -62.84 -42.72 99.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.632 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.11 -42.27 95.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.635 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 69.0 mt -60.56 -44.7 97.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.822 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.59 -52.02 37.64 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.337 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.17 -43.55 95.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.735 0.302 . . . . 0.0 111.163 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.19 -46.41 90.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.059 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.594 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -59.87 -40.05 87.35 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.078 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.622 ' O ' HG22 ' C' ' 42' ' ' ILE . 9.3 mt -60.85 -39.21 88.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.027 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.23 -44.49 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.175 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.472 HD12 ' N ' ' C' ' 40' ' ' LEU . 11.1 mp -72.87 -44.81 60.89 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.999 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 76.8 t90 -66.19 -46.57 76.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.504 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.622 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.4 tt -65.88 -32.63 58.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.374 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.58 -45.95 92.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.571 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--N 1.33 -0.246 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.426 -179.946 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 83.4 t . . . . . 0 C--O 1.234 0.242 0 CA-C-O 120.977 0.418 . . . . 0.0 110.511 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 82.3 t -64.74 -44.34 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.26 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.03 95.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.481 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.43 -50.03 68.59 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.573 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 38.7 t -62.91 -42.62 99.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.752 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.16 -42.32 96.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.615 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.55 -44.75 97.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.835 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.51 -52.04 37.92 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.374 -179.852 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.13 -43.52 95.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.766 0.317 . . . . 0.0 111.254 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.17 -46.5 90.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.037 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.532 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.7 t60 -60.0 -39.89 87.32 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.101 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.624 ' O ' HG22 ' D' ' 42' ' ' ILE . 8.9 mt -60.79 -39.26 88.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.16 -44.44 99.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.226 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . 0.47 ' N ' HD12 ' D' ' 40' ' ' LEU . 11.0 mp -72.96 -44.64 60.88 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.979 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.416 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 77.4 t90 -66.14 -46.63 76.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.563 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.624 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.3 tt -66.02 -32.55 58.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.415 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.56 -45.95 91.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.528 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 2.2 p30 . . . . . 0 C--N 1.329 -0.312 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.332 -179.911 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.0 t . . . . . 0 C--O 1.233 0.21 0 CA-C-O 120.902 0.382 . . . . 0.0 110.53 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.49 -44.38 96.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.8 90.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.718 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.62 -49.46 67.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.574 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.0 p -64.46 -41.26 96.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.74 -42.42 95.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.537 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.441 HG23 HD11 ' B' ' 38' ' ' LEU . 71.1 mt -61.13 -43.99 97.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.785 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.85 -52.56 41.13 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.39 -44.11 90.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.691 0.282 . . . . 0.0 110.77 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.49 -46.84 88.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.215 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.632 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.4 t60 -61.9 -39.02 90.54 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.49 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.628 HD21 ' ND1' ' D' ' 37' ' ' HIS . 11.9 mt -61.45 -40.21 93.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.371 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.66 -43.34 96.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.08 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.451 ' N ' HD22 ' A' ' 40' ' ' LEU . 4.2 mm? -73.39 -44.24 58.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.092 0.473 . . . . 0.0 111.227 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.409 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 75.5 t90 -67.89 -46.76 70.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.543 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.5 tt -64.27 -34.52 69.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.359 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.3 tp -61.34 -42.8 99.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.331 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 . . . . . 0 C--N 1.327 -0.408 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.427 -179.801 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.5 t . . . . . 0 C--O 1.231 0.095 0 CA-C-O 120.813 0.339 . . . . 0.0 110.378 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.5 90.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.601 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.11 -49.25 69.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.7 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -64.73 -40.93 96.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.727 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.99 -42.56 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.519 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.441 HG23 HD11 ' C' ' 38' ' ' LEU . 70.3 mt -60.94 -44.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.672 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.57 -52.98 38.24 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.337 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.03 -44.25 92.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.23 -47.35 86.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.165 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -61.28 -39.19 89.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.597 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.632 HD21 ' ND1' ' A' ' 37' ' ' HIS . 12.0 mt -61.27 -40.3 93.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.498 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.6 -43.25 96.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.11 0.481 . . . . 0.0 110.15 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.458 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.2 mm? -73.6 -44.04 58.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.015 0.436 . . . . 0.0 111.174 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -67.99 -46.58 70.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.503 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.616 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.8 tt -64.47 -34.25 68.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.28 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.69 -42.74 99.35 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.299 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 65.3 t0 . . . . . 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.459 -179.591 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 89.7 t . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.75 0.309 . . . . 0.0 110.373 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.46 -38.54 90.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.677 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.02 -49.27 69.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.633 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 78.4 p -64.48 -41.35 96.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.808 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.78 -42.46 95.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.438 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.486 HG23 HD11 ' D' ' 38' ' ' LEU . 69.3 mt -60.88 -44.26 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.734 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.49 -52.61 41.8 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.469 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.9 mt -66.49 -44.15 90.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.713 0.292 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.22 -47.16 87.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.927 0.394 . . . . 0.0 111.205 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.631 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -61.65 -39.18 90.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.621 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.613 ' O ' HG22 ' C' ' 42' ' ' ILE . 11.8 mt -61.31 -40.07 92.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.372 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.83 -43.33 97.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.106 0.479 . . . . 0.0 110.217 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.457 ' N ' HD22 ' C' ' 40' ' ' LEU . 4.2 mm? -73.45 -43.8 59.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.087 0.47 . . . . 0.0 111.186 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.407 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 75.9 t90 -68.31 -46.78 69.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.486 -179.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.613 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.7 tt -64.26 -34.17 67.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.236 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 48.4 tp -61.68 -42.93 99.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.266 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 66.1 t0 . . . . . 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.342 -179.554 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 88.3 t . . . . . 0 C--O 1.233 0.197 0 CA-C-O 120.889 0.376 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.1 t -64.59 -44.23 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.426 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.4 89.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.711 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.29 -49.65 69.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.694 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -63.99 -41.35 97.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 110.783 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.81 -42.6 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.474 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.461 HG23 HD11 ' A' ' 38' ' ' LEU . 69.1 mt -60.87 -44.04 96.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.773 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.81 -52.51 41.7 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.374 -179.554 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.39 -44.3 90.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.801 0.334 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.17 -47.37 86.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.628 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -61.27 -39.49 90.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.456 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.631 HD21 ' ND1' ' C' ' 37' ' ' HIS . 11.9 mt -61.08 -40.3 93.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.474 -179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.6 -43.41 96.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 121.045 0.45 . . . . 0.0 110.08 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . 0.461 HD22 ' N ' ' D' ' 40' ' ' LEU . 4.2 mm? -73.39 -43.93 59.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.144 0.497 . . . . 0.0 111.226 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.412 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 75.6 t90 -68.09 -47.02 69.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.451 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.625 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.6 tt -64.14 -34.33 68.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.309 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 tp -61.48 -42.95 99.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.412 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 64.2 t0 . . . . . 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.394 -179.74 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.0 t . . . . . 0 C--O 1.236 0.382 0 CA-C-O 121.213 0.53 . . . . 0.0 110.465 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.81 -47.14 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.269 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.04 -41.55 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.426 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.38 79.49 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.511 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.2 m -61.31 -46.29 90.91 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.511 ' N ' HD12 ' A' ' 32' ' ' ILE . 1.4 mp -66.76 -42.48 89.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.576 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.5 mt -58.32 -47.97 86.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.84 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.3 -48.87 35.66 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.472 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.13 -44.58 97.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.678 0.275 . . . . 0.0 110.913 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.73 -44.69 95.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.952 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.415 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -59.57 -41.07 89.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.29 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.402 ' O ' ' CG1' ' A' ' 42' ' ' ILE . 18.7 mt -62.18 -40.2 95.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.0 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.1 mt -59.23 -48.71 85.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.662 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.7 tp -72.27 -44.3 63.02 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.062 -179.723 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -64.44 -36.51 84.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.709 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' A' ' 38' ' ' LEU . 2.8 mm -63.2 -43.52 98.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.58 -40.63 92.44 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.461 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 67.6 t0 . . . . . 0 C--N 1.326 -0.434 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.519 -179.628 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 78.8 t . . . . . 0 C--O 1.225 -0.228 0 CA-C-O 120.733 0.301 . . . . 0.0 110.215 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.04 -41.93 65.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.578 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.46 -42.56 78.39 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.589 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 55.9 m -61.03 -46.15 91.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.499 ' N ' HD12 ' B' ' 32' ' ' ILE . 1.4 mp -67.32 -42.14 87.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.452 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 68.1 mt -58.49 -47.69 87.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.746 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.55 -48.84 34.03 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.456 -179.471 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.24 -44.55 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.302 . . . . 0.0 110.885 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.76 -44.65 95.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.947 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.433 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -59.63 -41.06 89.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.35 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.415 HD21 ' ND1' ' A' ' 37' ' ' HIS . 18.6 mt -62.22 -40.07 94.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.1 mt -59.19 -48.78 85.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.674 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 54.3 tp -72.4 -44.17 62.86 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.042 -179.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -64.39 -36.56 84.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.722 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.39 -43.58 98.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.3 -40.67 91.33 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.452 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . 0.429 ' OD1' ' O ' ' B' ' 44' ' ' ASP . 67.5 t0 . . . . . 0 C--N 1.327 -0.386 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.423 -179.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 80.1 t . . . . . 0 C--O 1.226 -0.163 0 N-CA-C 110.168 -0.308 . . . . 0.0 110.168 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.37 -41.72 63.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.49 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.66 -42.64 79.32 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.537 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 56.8 m -61.03 -46.14 91.94 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.5 ' N ' HD12 ' C' ' 32' ' ' ILE . 1.4 mp -67.04 -42.35 88.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.471 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.43 -47.81 86.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.828 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.43 -48.78 35.21 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.48 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.26 -44.66 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.637 0.256 . . . . 0.0 111.012 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.61 -44.8 95.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.854 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.434 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.7 t60 -59.41 -41.12 88.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.425 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.433 HD21 ' ND1' ' B' ' 37' ' ' HIS . 18.7 mt -62.11 -40.33 95.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.03 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.7 mt -59.13 -48.84 85.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.551 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.9 tp -72.15 -44.55 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.019 -179.704 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -63.98 -36.76 85.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.804 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.25 -43.57 98.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.804 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.44 -40.63 91.8 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.319 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . 0.421 ' OD1' ' O ' ' C' ' 44' ' ' ASP . 67.3 t0 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.542 -179.63 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 81.1 t . . . . . 0 C--O 1.236 0.38 0 CA-C-O 121.099 0.476 . . . . 0.0 110.447 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 78.6 t -62.79 -47.34 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.2 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.94 -41.33 64.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.49 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.04 -42.46 80.53 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 53.5 m -61.0 -46.09 92.18 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.516 ' N ' HD12 ' D' ' 32' ' ' ILE . 1.4 mp -67.21 -42.17 87.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.56 -47.45 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.93 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.73 -48.64 33.8 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 120.636 -0.793 . . . . 0.0 111.478 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.38 -44.65 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.682 0.277 . . . . 0.0 110.892 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.74 -44.7 95.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.925 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.407 ' CD2' ' C ' ' D' ' 37' ' ' HIS . 7.5 t60 -59.43 -41.21 89.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.401 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.434 HD21 ' ND1' ' C' ' 37' ' ' HIS . 18.4 mt -62.03 -40.1 94.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.182 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 93.7 mt -59.21 -48.7 85.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.612 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.9 tp -72.45 -44.28 62.58 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.032 -179.693 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -64.29 -36.67 84.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.78 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.19 -43.9 99.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.847 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 52.7 tp -60.21 -40.52 90.4 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.451 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 67.6 t0 . . . . . 0 C--N 1.326 -0.446 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.458 -179.627 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.9 t . . . . . 0 C--O 1.234 0.257 0 CA-C-O 120.919 0.39 . . . . 0.0 110.732 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.33 -44.18 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.364 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.66 -39.81 95.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.483 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.65 -49.91 69.45 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.291 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.7 t -62.32 -42.99 99.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.784 179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.03 -42.36 96.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.739 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.485 HG23 HD11 ' B' ' 38' ' ' LEU . 75.3 mt -61.14 -44.4 98.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.91 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.47 -52.5 39.09 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.377 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.83 -44.37 92.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-O 120.704 0.288 . . . . 0.0 111.298 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.15 -45.88 89.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.887 0.375 . . . . 0.0 110.695 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.621 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.9 t60 -60.15 -40.48 90.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.232 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' D' ' 37' ' ' HIS . 11.1 mt -60.52 -40.07 90.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.171 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.46 -44.81 99.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.0 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.448 ' N ' HD22 ' A' ' 40' ' ' LEU . 4.1 mm? -70.51 -43.49 69.55 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.173 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -69.27 -46.91 66.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.693 -179.12 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.531 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.1 tt -65.2 -40.79 89.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.194 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.413 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 49.4 tp -62.73 -40.88 98.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.524 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.411 -179.682 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.9 t . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.935 0.398 . . . . 0.0 110.381 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.9 95.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.363 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.48 -50.03 68.72 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.332 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -62.38 -42.91 99.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.797 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.06 -42.37 96.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.72 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.454 HG23 HD11 ' C' ' 38' ' ' LEU . 75.2 mt -61.1 -44.47 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.832 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.61 -52.42 39.21 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.281 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.75 -44.6 93.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.664 0.268 . . . . 0.0 111.158 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.93 -45.98 89.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.708 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.611 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -60.23 -40.39 90.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.265 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.621 HD21 ' ND1' ' A' ' 37' ' ' HIS . 11.1 mt -60.59 -40.02 90.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.38 -44.83 99.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.102 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.439 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.1 mm? -70.56 -43.66 69.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.231 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -68.99 -47.1 66.38 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.635 -179.292 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.531 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.1 tt -65.04 -40.92 90.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.28 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 49.0 tp -62.77 -40.89 98.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.428 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 68.0 t0 . . . . . 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.369 -179.493 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.4 t . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.931 0.396 . . . . 0.0 110.405 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.96 95.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.453 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.13 68.64 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.222 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -62.22 -42.99 99.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.803 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.85 -42.55 96.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.443 HG23 HD11 ' D' ' 38' ' ' LEU . 75.7 mt -61.12 -44.39 98.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.821 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.42 -52.6 38.45 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.353 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.81 -44.51 92.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 120.677 0.275 . . . . 0.0 111.197 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.99 -46.04 89.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.9 0.381 . . . . 0.0 110.75 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -60.12 -40.32 89.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.236 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.611 HD21 ' ND1' ' B' ' 37' ' ' HIS . 11.0 mt -60.59 -40.06 90.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.241 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.33 -45.0 99.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.987 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.45 ' N ' HD22 ' C' ' 40' ' ' LEU . 4.1 mm? -70.46 -43.37 69.98 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.205 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 73.3 t90 -69.29 -47.04 65.72 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 111.709 0.262 . . . . 0.0 111.709 -179.218 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.537 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.1 tt -65.0 -40.85 90.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.928 0.394 . . . . 0.0 110.303 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.403 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 48.5 tp -62.79 -40.86 98.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.457 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 67.8 t0 . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.357 -179.466 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.1 t . . . . . 0 C--O 1.234 0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.701 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.36 -44.25 94.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.35 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.92 95.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.457 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.61 -49.94 69.26 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.244 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -62.4 -42.98 99.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.722 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.09 -42.34 96.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.704 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.463 HG23 HD11 ' A' ' 38' ' ' LEU . 75.0 mt -60.97 -44.52 98.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.912 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.52 -52.43 39.49 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.552 -0.832 . . . . 0.0 111.316 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.87 -44.5 92.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.656 0.265 . . . . 0.0 111.212 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.92 -46.02 89.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.809 0.338 . . . . 0.0 110.726 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -60.25 -40.46 90.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.233 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' C' ' 37' ' ' HIS . 11.3 mt -60.41 -40.0 89.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.55 -44.82 99.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.084 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . 0.439 HD22 ' N ' ' D' ' 40' ' ' LEU . 4.1 mm? -70.38 -43.57 69.82 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.218 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 73.5 t90 -69.24 -46.97 66.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.768 -179.189 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.538 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.1 tt -64.99 -40.92 90.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.919 0.39 . . . . 0.0 110.302 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 49.5 tp -62.68 -40.84 98.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.561 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 . . . . . 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.356 -179.464 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 81.6 t . . . . . 0 N--CA 1.454 -0.262 0 CA-C-O 120.878 0.37 . . . . 0.0 110.663 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.1 t -66.35 -45.08 90.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.549 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.39 85.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.631 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.66 79.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.872 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.3 p -63.09 -39.97 96.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.809 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.94 -43.32 97.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.623 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 80.8 mt -57.47 -44.27 84.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.786 -178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.6 -46.45 47.26 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.659 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.99 -50.75 78.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 111.196 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.24 -43.07 99.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.234 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -60.28 -40.44 90.42 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.416 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.662 HD21 ' ND1' ' D' ' 37' ' ' HIS . 12.9 mt -61.25 -40.11 92.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.085 -179.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.07 -44.87 99.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.284 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt -72.74 -44.16 62.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.04 0.448 . . . . 0.0 110.805 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -65.43 -36.01 82.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.813 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mm -63.65 -44.67 98.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.463 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.0 mt -61.98 -41.14 97.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.575 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.4 t0 . . . . . 0 C--N 1.323 -0.544 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.555 -179.921 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.6 t . . . . . 0 N--CA 1.457 -0.124 0 CA-C-O 120.809 0.338 . . . . 0.0 110.648 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.04 -44.09 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.707 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.81 -47.6 79.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.797 -179.847 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 78.0 p -63.28 -40.35 97.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.61 -43.68 98.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.413 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 80.4 mt -57.09 -44.51 83.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.855 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.2 -46.51 49.93 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.643 -179.564 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.16 -50.22 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.841 0.353 . . . . 0.0 111.293 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.8 -42.61 97.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.206 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.644 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.3 t60 -60.72 -40.51 92.62 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.274 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' A' ' 37' ' ' HIS . 12.9 mt -61.04 -40.18 92.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.051 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.25 -44.89 99.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.233 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.87 -44.22 61.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.032 0.444 . . . . 0.0 110.796 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -65.43 -35.56 81.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.72 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mm -63.93 -44.72 98.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.39 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.97 -41.13 97.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 63.9 t0 . . . . . 0 C--N 1.325 -0.491 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.566 -179.876 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 N--CA 1.456 -0.154 0 CA-C-O 120.827 0.346 . . . . 0.0 110.552 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.76 -44.15 85.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.709 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.83 -47.83 79.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.82 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -62.93 -40.36 97.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.772 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.59 -43.31 98.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.497 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.62 -44.35 85.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.901 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.42 -46.38 49.01 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.541 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.06 -50.36 79.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.893 0.377 . . . . 0.0 111.346 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.66 -42.65 98.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.125 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.667 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -60.67 -40.29 91.57 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.387 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.644 HD21 ' ND1' ' B' ' 37' ' ' HIS . 12.8 mt -61.37 -39.92 92.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.989 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.41 -45.1 99.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.312 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -72.65 -44.26 62.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.987 0.423 . . . . 0.0 110.723 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -65.27 -35.95 82.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.772 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mm -63.71 -44.63 98.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.464 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.86 -41.21 97.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.65 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 62.7 t0 . . . . . 0 C--N 1.324 -0.535 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.535 -179.859 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 79.2 t . . . . . 0 N--CA 1.453 -0.276 0 CA-C-O 120.866 0.365 . . . . 0.0 110.596 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.0 t -66.34 -45.16 90.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.586 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.47 -44.65 85.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.574 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.33 -47.95 77.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.807 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 76.7 p -62.9 -40.54 97.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.56 -43.58 98.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.552 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 80.5 mt -57.26 -44.17 83.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.94 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.55 -46.52 47.22 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.694 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.93 -50.57 79.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.872 0.367 . . . . 0.0 111.215 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.49 -42.96 98.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.217 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.662 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -60.27 -40.56 90.81 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.228 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.667 HD21 ' ND1' ' C' ' 37' ' ' HIS . 13.2 mt -61.13 -40.08 92.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.144 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.15 -44.92 99.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.309 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -72.73 -44.15 62.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.186 0.517 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -65.56 -35.64 81.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.806 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mm -63.93 -44.77 98.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.316 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 73.8 mt -61.85 -41.26 97.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 62.8 t0 . . . . . 0 C--N 1.325 -0.47 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.608 -179.841 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 28' ' ' VAL . 3.2 m . . . . . 0 C--O 1.234 0.287 0 CA-C-O 121.184 0.516 . . . . 0.0 110.53 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.462 ' N ' HG23 ' A' ' 27' ' ' VAL . 87.9 t -62.17 -44.23 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.249 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -37.39 86.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.225 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.03 -48.3 70.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.597 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 77.1 p -66.05 -40.4 90.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.984 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.11 -42.36 94.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.714 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.8 mt -59.45 -43.89 91.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.573 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.78 -48.19 79.21 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.403 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 4.8 mm -65.99 -48.41 81.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.997 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.9 tp -59.53 -45.42 91.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.057 0.456 . . . . 0.0 111.226 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.526 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.7 t60 -59.22 -37.53 77.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.303 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.38 -41.0 96.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.403 ' CD1' ' O ' ' A' ' 35' ' ' ILE . 1.7 mp -59.62 -45.06 94.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.201 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -72.0 -43.82 64.46 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.231 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 79.6 t90 -67.34 -39.88 85.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.032 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mm -63.34 -43.75 98.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.174 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.55 -39.71 94.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.28 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.9 t0 . . . . . 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.23 -179.455 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 83.5 t . . . . . 0 N--CA 1.455 -0.199 0 CA-C-O 120.799 0.333 . . . . 0.0 110.246 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.38 86.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.359 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.9 -47.98 70.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.601 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 78.0 p -66.28 -40.83 90.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.55 -42.45 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.733 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 67.1 mt -59.42 -43.79 91.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.633 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.88 -48.51 75.67 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mm -65.61 -48.57 82.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.97 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.56 -45.03 93.03 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.114 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.429 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 8.2 t60 -59.44 -37.83 79.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.288 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.526 HD21 ' ND1' ' A' ' 37' ' ' HIS . 13.6 mt -61.19 -40.77 95.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.844 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.78 -45.46 94.68 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.163 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.77 -43.89 64.95 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.074 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.425 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 79.2 t90 -67.09 -39.99 86.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.948 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' B' ' 38' ' ' LEU . 4.2 mm -63.42 -43.63 98.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.209 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.54 -39.61 94.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.238 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 62.8 t0 . . . . . 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.236 -179.46 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 81.2 t . . . . . 0 N--CA 1.454 -0.236 0 CA-C-O 120.746 0.308 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.5 85.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.341 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.97 -48.15 70.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.64 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 77.8 p -65.99 -40.61 91.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.927 0.394 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.8 -42.38 94.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.731 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.4 -43.86 91.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.528 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.69 -48.49 76.74 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 4.6 mm -65.71 -48.59 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.928 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -59.4 -45.16 92.25 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.158 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.511 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.7 t60 -59.42 -37.75 78.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.337 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.406 ' O ' ' CG1' ' C' ' 42' ' ' ILE . 13.6 mt -61.34 -40.87 95.85 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.8 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.58 -45.32 94.18 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.143 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.94 -43.88 64.53 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.07 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 79.5 t90 -67.12 -39.97 86.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.082 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' C' ' 38' ' ' LEU . 4.3 mm -63.4 -43.69 98.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.187 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.55 -39.82 94.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.296 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 62.9 t0 . . . . . 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.281 -179.488 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . 0.472 HG23 ' N ' ' D' ' 28' ' ' VAL . 3.1 m . . . . . 0 C--O 1.236 0.382 0 CA-C-O 121.129 0.49 . . . . 0.0 110.51 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . 0.472 ' N ' HG23 ' D' ' 27' ' ' VAL . 84.5 t -61.79 -44.79 99.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.244 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.84 -37.69 85.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.391 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.81 -48.54 69.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 74.1 p -65.54 -40.99 93.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.033 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.61 -42.27 94.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.678 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.54 -43.82 91.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.622 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.05 -47.82 81.7 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.29 -48.4 81.2 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.002 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.79 -44.8 93.77 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.131 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.423 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 8.4 t60 -59.39 -37.91 79.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.275 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.511 HD21 ' ND1' ' C' ' 37' ' ' HIS . 13.6 mt -61.28 -40.65 94.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.818 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.73 -45.32 94.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.16 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 85.9 mt -72.17 -43.8 64.02 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.075 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 79.2 t90 -67.19 -40.12 86.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.979 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.405 ' CG1' ' O ' ' D' ' 38' ' ' LEU . 4.2 mm -63.28 -43.58 98.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.218 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.5 -39.86 94.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.234 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 62.5 t0 . . . . . 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.166 -179.465 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 p . . . . . 0 C--O 1.233 0.224 0 CA-C-O 120.933 0.397 . . . . 0.0 110.621 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.59 -45.57 97.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.431 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.86 89.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.462 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.85 -50.29 66.57 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.662 -179.61 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 62.7 m -61.72 -42.58 99.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.705 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.01 -42.7 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.766 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.85 -44.51 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.842 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.87 -51.5 39.83 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.9 -43.48 96.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.7 0.286 . . . . 0.0 111.048 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.46 -45.86 92.51 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 110.613 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.588 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.2 t60 -61.1 -40.18 92.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.32 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.578 HD21 ' ND1' ' D' ' 37' ' ' HIS . 9.6 mt -60.98 -39.08 88.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.8 mt -60.79 -46.8 95.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 120.061 -0.655 . . . . 0.0 110.056 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 mt -70.15 -44.7 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.333 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 82.2 t90 -66.41 -36.67 83.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.116 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.7 -44.29 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.11 -40.19 92.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.489 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.9 t0 . . . . . 0 C--N 1.331 -0.21 0 CA-C-O 120.863 0.364 . . . . 0.0 110.331 179.893 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 98.9 t . . . . . 0 N--CA 1.456 -0.152 0 CA-C-O 120.735 0.303 . . . . 0.0 110.448 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.78 88.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.01 -50.11 67.36 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.559 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 66.4 m -61.81 -42.57 99.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 110.649 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.88 -42.83 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.772 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.67 -44.75 99.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.801 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.69 -51.41 41.55 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.96 -43.58 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.723 0.297 . . . . 0.0 110.917 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.43 -45.86 92.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.918 0.39 . . . . 0.0 110.659 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.59 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -61.16 -40.27 93.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.282 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.588 HD21 ' ND1' ' A' ' 37' ' ' HIS . 10.0 mt -60.89 -38.97 87.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.97 -46.83 95.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.106 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.5 mt -70.29 -44.62 67.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.315 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 81.9 t90 -66.33 -36.81 83.86 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.018 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.62 -44.19 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.28 -40.22 93.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.376 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 . . . . . 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 110.31 179.837 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 99.2 t . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.731 0.301 . . . . 0.0 110.391 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.76 88.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.488 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.0 -50.15 67.24 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.717 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 66.2 m -61.79 -42.61 99.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.625 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.04 -42.65 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.754 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.81 -44.64 99.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.808 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.72 -51.41 41.37 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.323 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.96 -43.55 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.727 0.299 . . . . 0.0 110.934 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.49 -45.71 93.1 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.935 0.397 . . . . 0.0 110.68 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.591 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.2 t60 -61.29 -40.12 92.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.237 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.59 HD21 ' ND1' ' B' ' 37' ' ' HIS . 10.0 mt -60.95 -39.11 88.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.0 mt -60.77 -46.82 95.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.102 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.8 mt -70.23 -44.52 68.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.288 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.427 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 82.5 t90 -66.47 -36.77 83.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.167 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.62 -44.19 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 78.2 mt -61.1 -40.42 93.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.468 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 65.2 t0 . . . . . 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 110.24 179.976 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 2.6 p . . . . . 0 C--O 1.233 0.201 0 CA-C-O 120.909 0.385 . . . . 0.0 110.656 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.27 -45.57 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.361 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.78 88.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.514 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.94 -50.14 67.12 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.642 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 62.5 m -61.77 -42.59 99.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.844 0.354 . . . . 0.0 110.729 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.02 -42.67 96.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.669 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.73 -44.74 99.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.821 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.76 -51.4 41.2 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.93 -43.57 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.665 0.269 . . . . 0.0 111.001 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.38 -45.85 92.65 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.909 0.385 . . . . 0.0 110.65 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.578 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -61.24 -40.24 93.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.31 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.591 HD21 ' ND1' ' C' ' 37' ' ' HIS . 9.9 mt -60.82 -39.04 87.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.791 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.76 -46.89 95.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.154 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.6 mt -70.19 -44.81 67.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.33 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 82.3 t90 -66.19 -36.75 83.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.058 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.59 -44.33 98.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.17 -40.27 93.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 . . . . . 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.333 . . . . 0.0 110.251 179.863 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.7 t . . . . . 0 N--CA 1.455 -0.196 0 CA-C-O 120.937 0.399 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.21 -44.26 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.421 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -40.81 93.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.542 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.14 -49.14 72.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.726 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.8 m -61.82 -42.39 98.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.788 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.28 -42.24 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.727 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.552 HG23 HD11 ' B' ' 38' ' ' LEU . 79.5 mt -60.06 -42.61 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.52 -53.8 42.48 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.232 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.2 mm -67.68 -44.84 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.745 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.76 -45.31 94.43 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.933 0.397 . . . . 0.0 110.929 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.513 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -64.76 -40.81 95.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.469 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.595 HD11 HG23 ' D' ' 33' ' ' ILE . 13.9 mt -61.64 -41.52 97.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.81 -48.18 86.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.491 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.2 mt -70.99 -42.78 69.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.94 0.4 . . . . 0.0 111.104 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -66.89 -35.43 80.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.021 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.11 -43.95 99.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.853 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -61.79 -43.09 99.53 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.157 0.504 . . . . 0.0 110.278 -178.399 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 62.8 t0 . . . . . 0 C--N 1.319 -0.725 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.632 -179.608 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 87.4 t . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.795 0.331 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.04 93.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.491 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.77 -49.31 71.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.671 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.0 m -61.7 -42.52 99.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.29 -42.27 95.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.657 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.592 HG23 HD11 ' C' ' 38' ' ' LEU . 80.8 mt -60.05 -42.84 91.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.628 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.29 -53.22 47.43 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.175 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 35.9 mm -68.06 -44.8 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.817 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.94 -45.18 94.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.696 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -64.66 -40.77 96.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.437 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.552 HD11 HG23 ' A' ' 33' ' ' ILE . 13.9 mt -61.87 -41.42 97.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.169 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.0 -48.03 87.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.498 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -71.11 -43.06 68.43 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.968 0.413 . . . . 0.0 111.055 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -66.79 -35.46 80.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.84 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.0 -43.97 99.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.868 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.553 HD13 ' O ' ' B' ' 43' ' ' LEU . 0.2 OUTLIER -61.72 -42.96 99.64 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.335 -178.476 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . 0.417 ' OD1' ' O ' ' B' ' 44' ' ' ASP . 63.9 t0 . . . . . 0 C--N 1.322 -0.616 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.67 -179.592 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 88.2 t . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.838 0.351 . . . . 0.0 110.424 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.68 94.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.506 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.35 -48.97 73.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.659 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 56.5 m -61.9 -42.48 99.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.763 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.17 -42.16 95.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.644 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.569 HG23 HD11 ' D' ' 38' ' ' LEU . 80.7 mt -60.25 -42.8 91.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.558 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.4 -53.57 44.44 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.104 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 36.1 mm -67.76 -45.3 84.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.3 -45.21 95.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -64.78 -40.67 95.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.441 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.696 HD21 ' ND1' ' B' ' 37' ' ' HIS . 13.9 mt -61.83 -41.37 97.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.226 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 80.9 mt -59.06 -47.52 89.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.407 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.65 -43.15 66.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.984 0.421 . . . . 0.0 111.13 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -66.54 -35.49 80.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.824 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.0 -44.22 99.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.861 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.564 HD13 ' O ' ' C' ' 43' ' ' LEU . 0.2 OUTLIER -61.46 -43.52 98.73 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.296 -0.561 . . . . 0.0 110.288 -178.351 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' C' ' 44' ' ' ASP . 63.7 t0 . . . . . 0 C--N 1.321 -0.655 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.634 -179.598 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 90.6 t . . . . . 0 C--O 1.233 0.229 0 CA-C-O 120.978 0.418 . . . . 0.0 110.526 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 90.5 t -63.88 -44.43 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.459 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.97 93.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.588 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.08 -49.04 72.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.667 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 58.5 m -61.73 -42.48 99.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.797 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.22 -42.09 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.719 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.595 HG23 HD11 ' A' ' 38' ' ' LEU . 80.3 mt -60.24 -42.81 91.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.59 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.54 -53.5 44.92 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 35.8 mm -67.81 -45.05 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.756 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.8 -45.13 95.18 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.923 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.553 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -64.68 -40.81 96.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.315 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.592 HD21 ' ND1' ' C' ' 37' ' ' HIS . 13.8 mt -61.66 -41.6 97.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.275 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 80.7 mt -58.96 -47.76 88.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.389 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.22 -42.85 68.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.973 0.416 . . . . 0.0 111.055 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -67.1 -35.24 79.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.031 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.12 -43.95 99.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.958 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.562 ' O ' HD13 ' D' ' 43' ' ' LEU . 0.2 OUTLIER -61.73 -43.02 99.67 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.222 0.534 . . . . 0.0 110.294 -178.377 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 63.0 t0 . . . . . 0 C--N 1.32 -0.679 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.613 -179.661 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 2.8 m . . . . . 0 C--O 1.234 0.272 0 CA-C-O 120.996 0.427 . . . . 0.0 110.504 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.72 -43.86 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.019 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.19 78.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.288 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.28 78.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.8 m -61.66 -39.95 93.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.921 0.391 . . . . 0.0 110.72 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.07 -41.74 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.674 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.545 HG23 HD11 ' B' ' 38' ' ' LEU . 86.6 mt -60.44 -43.16 93.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.605 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -51.58 58.06 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.027 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.2 mm -68.3 -44.74 83.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 O-C-N 122.734 -0.274 . . . . 0.0 111.184 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.16 -47.26 85.3 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.895 0.379 . . . . 0.0 110.603 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.543 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.4 t60 -60.79 -40.61 93.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.098 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.65 HD21 ' ND1' ' D' ' 37' ' ' HIS . 13.2 mt -61.1 -40.25 93.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.355 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.3 -48.68 87.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.356 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.46 HD12 ' N ' ' A' ' 40' ' ' LEU . 11.3 mp -67.07 -43.64 82.13 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.25 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -67.84 -37.15 81.52 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.574 0.226 . . . . 0.0 111.223 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.31 -45.39 98.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.57 -37.76 88.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.431 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 C--N 1.33 -0.276 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.298 -179.82 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.0 t . . . . . 0 N--CA 1.456 -0.127 0 CA-C-O 120.856 0.36 . . . . 0.0 110.056 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.21 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.39 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.34 -48.67 76.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.42 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 29.5 m -61.72 -40.04 93.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.01 -41.71 93.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.558 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.554 HG23 HD11 ' C' ' 38' ' ' LEU . 86.7 mt -60.45 -43.19 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.561 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -51.57 58.12 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.012 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mm -68.34 -44.7 83.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.17 -47.32 85.03 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.985 0.421 . . . . 0.0 110.592 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.557 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.6 t60 -60.75 -40.5 92.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.229 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.545 HD11 HG23 ' A' ' 33' ' ' ILE . 13.5 mt -61.13 -40.3 93.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.397 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.26 -48.69 87.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.323 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . 0.46 HD12 ' N ' ' B' ' 40' ' ' LEU . 11.3 mp -66.94 -43.66 82.62 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.286 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -67.95 -36.97 81.0 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.382 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.33 -45.35 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.56 -37.84 88.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.356 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 30.2 t70 . . . . . 0 C--N 1.329 -0.307 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.274 -179.712 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.9 t . . . . . 0 N--CA 1.456 -0.161 0 N-CA-C 109.999 -0.371 . . . . 0.0 109.999 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.24 -36.97 78.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.32 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.58 77.15 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.328 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 36.1 m -61.47 -40.14 93.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.1 -41.78 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.624 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.542 HG23 HD11 ' D' ' 38' ' ' LEU . 88.2 mt -60.41 -43.2 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.668 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.08 -51.53 58.33 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.008 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 41.1 mm -68.4 -44.62 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.146 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.23 -47.25 85.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.906 0.384 . . . . 0.0 110.639 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.533 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.6 t60 -60.73 -40.59 92.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.318 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.557 HD21 ' ND1' ' B' ' 37' ' ' HIS . 13.5 mt -61.14 -40.15 92.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.355 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.31 -48.74 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.396 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . 0.451 HD12 ' N ' ' C' ' 40' ' ' LEU . 11.3 mp -67.0 -43.53 82.66 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.21 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -67.94 -37.18 81.3 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.635 0.255 . . . . 0.0 111.311 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.15 -45.49 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.61 -37.7 88.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.357 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 30.4 t70 . . . . . 0 C--N 1.328 -0.328 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.26 -179.75 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 2.9 m . . . . . 0 C--O 1.235 0.308 0 CA-C-O 121.024 0.44 . . . . 0.0 110.345 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.77 -43.92 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.178 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -37.22 79.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.125 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.46 -48.71 76.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.63 -179.924 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 34.1 m -61.54 -39.98 93.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.684 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.04 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.713 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.486 HG23 HD11 ' A' ' 38' ' ' LEU . 87.9 mt -60.66 -43.01 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.503 -179.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.02 -51.69 57.35 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 41.7 mm -68.3 -44.67 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 O-C-N 122.755 -0.262 . . . . 0.0 111.135 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.23 -47.24 85.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 110.568 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.65 ' ND1' HD21 ' A' ' 38' ' ' LEU . 9.0 t60 -60.83 -40.5 93.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.259 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.542 HD11 HG23 ' C' ' 33' ' ' ILE . 13.4 mt -61.15 -40.33 93.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.316 -179.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.26 -48.74 87.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.35 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . 0.453 ' N ' HD12 ' D' ' 40' ' ' LEU . 11.3 mp -67.01 -43.57 82.52 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.671 -0.411 . . . . 0.0 111.26 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -67.93 -37.09 81.21 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.258 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.32 -45.46 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.44 -37.84 88.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.45 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 30.1 t70 . . . . . 0 C--N 1.33 -0.269 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.337 -179.787 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.2 t . . . . . 0 C--O 1.234 0.273 0 CA-C-O 121.068 0.461 . . . . 0.0 110.72 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.51 -45.51 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.554 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.35 -39.13 82.22 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.523 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.13 -51.05 69.34 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.469 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -62.94 -37.88 88.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.97 -43.0 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.474 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.595 HG23 HD11 ' B' ' 38' ' ' LEU . 81.1 mt -59.7 -44.76 94.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.468 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.37 -43.63 96.55 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.325 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.3 mt -69.48 -52.46 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.85 -42.72 97.51 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.116 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.545 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -59.94 -41.39 91.74 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.662 HD11 HG23 ' D' ' 33' ' ' ILE . 14.6 mt -61.72 -39.44 91.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.28 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.95 -48.85 86.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.423 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.51 -43.43 69.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.862 0.363 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -65.84 -36.98 84.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 -179.711 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -62.24 -44.32 98.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.12 -39.86 91.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.568 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 . . . . . 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.425 179.809 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t . . . . . 0 CA--C 1.522 -0.134 0 CA-C-O 120.862 0.363 . . . . 0.0 110.555 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.45 82.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.472 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.88 -51.15 68.57 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.406 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 20.9 m -62.99 -37.77 88.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.02 -43.19 98.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.409 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.651 HG23 HD11 ' C' ' 38' ' ' LEU . 81.7 mt -59.48 -44.77 93.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.679 -179.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.54 -43.39 96.64 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.449 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.2 mt -69.49 -52.36 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.98 -42.73 97.15 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.15 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.572 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -59.81 -41.29 90.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.084 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.595 HD11 HG23 ' A' ' 33' ' ' ILE . 14.5 mt -61.89 -39.51 92.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.246 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.82 -48.97 85.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.374 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.3 mt -70.5 -43.49 69.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 79.5 t90 -65.82 -36.83 84.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mm -62.24 -44.49 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 75.3 mt -61.09 -39.87 91.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.483 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 64.5 t0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-O 120.848 0.356 . . . . 0.0 110.517 179.814 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.5 t . . . . . 0 N--CA 1.457 -0.076 0 CA-C-O 120.861 0.363 . . . . 0.0 110.544 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.43 83.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.471 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.83 -51.37 67.71 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.287 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -62.91 -37.75 88.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.612 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.05 -43.08 98.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.42 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.605 HG23 HD11 ' D' ' 38' ' ' LEU . 81.3 mt -59.69 -44.69 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.531 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.4 -43.58 96.57 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 120.474 -0.869 . . . . 0.0 111.375 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 94.7 mt -69.46 -52.32 33.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.02 -42.77 97.02 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.018 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.565 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.8 t60 -59.74 -41.38 90.83 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.097 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.651 HD11 HG23 ' B' ' 33' ' ' ILE . 14.7 mt -61.84 -39.45 91.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.9 -48.86 86.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.431 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.47 -43.52 69.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.988 0.423 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -65.95 -36.74 84.18 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mm -62.31 -44.41 99.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 75.3 mt -61.07 -39.89 91.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.498 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 . . . . . 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.402 . . . . 0.0 110.453 179.856 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 73.9 t . . . . . 0 C--O 1.234 0.258 0 CA-C-O 120.975 0.417 . . . . 0.0 110.694 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 96.5 t -65.32 -45.68 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.492 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.04 -39.35 81.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.516 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.0 -51.24 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.356 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 21.0 m -62.96 -37.91 89.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.565 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.93 -43.07 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.45 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.662 HG23 HD11 ' A' ' 38' ' ' LEU . 80.4 mt -59.55 -44.74 93.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.71 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.57 -43.55 96.36 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 120.479 -0.867 . . . . 0.0 111.273 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 94.6 mt -69.46 -52.34 33.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.03 -42.61 97.05 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.056 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.603 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.9 t60 -60.01 -41.28 91.8 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.982 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.605 HD11 HG23 ' C' ' 33' ' ' ILE . 14.5 mt -61.79 -39.54 92.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.84 -49.01 85.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.37 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.48 -43.46 69.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 79.4 t90 -65.81 -36.9 84.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.741 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mm -62.2 -44.4 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.09 -39.94 91.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.484 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 64.2 t0 . . . . . 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 110.414 179.901 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 C--O 1.234 0.241 0 CA-C-O 120.92 0.39 . . . . 0.0 110.357 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.4 t -63.53 -44.94 98.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.499 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.97 89.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.494 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.39 -48.6 74.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.67 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.5 p -64.72 -40.15 94.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.774 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.93 -42.86 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.2 mt -61.04 -44.35 98.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.735 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.65 -51.82 33.69 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.408 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.42 -44.59 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.729 0.299 . . . . 0.0 110.881 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.5 -44.67 95.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.963 0.411 . . . . 0.0 110.963 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.638 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.7 t60 -62.14 -40.06 94.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.406 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.661 HD21 ' ND1' ' D' ' 37' ' ' HIS . 13.5 mt -61.64 -38.87 89.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.17 -44.31 98.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.388 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.38 -41.37 61.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.108 0.48 . . . . 0.0 111.189 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -70.27 -46.21 64.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.896 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 38' ' ' LEU . 10.8 tp -61.47 -38.58 80.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.306 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.08 -39.88 93.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.227 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 43.9 t0 . . . . . 0 C--N 1.322 -0.606 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.533 -179.966 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.2 t . . . . . 0 C--O 1.23 0.068 0 CA-C-O 120.749 0.309 . . . . 0.0 110.404 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.76 91.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.483 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.65 -48.64 74.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.621 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 71.9 p -64.61 -40.29 95.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.739 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.404 ' O ' ' CB ' ' B' ' 36' ' ' LEU . 95.9 mt -64.76 -42.98 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.603 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 70.3 mt -60.95 -44.35 97.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.856 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.42 -52.06 33.31 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.472 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.13 -44.7 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.31 . . . . 0.0 110.841 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.404 ' CB ' ' O ' ' B' ' 32' ' ' ILE . 56.9 tp -62.44 -44.88 95.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.962 0.411 . . . . 0.0 110.946 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.622 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -61.88 -40.23 94.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.372 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.638 HD21 ' ND1' ' A' ' 37' ' ' HIS . 13.7 mt -61.48 -38.81 88.62 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.057 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.1 -44.32 98.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 120.186 -0.606 . . . . 0.0 110.278 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.31 -41.36 61.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.147 0.498 . . . . 0.0 111.291 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -70.34 -46.32 64.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.855 -179.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.557 HG22 ' O ' ' B' ' 38' ' ' LEU . 10.6 tp -61.26 -38.78 80.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.379 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.9 -39.95 93.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.248 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 42.5 t0 . . . . . 0 C--N 1.324 -0.525 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.506 -179.997 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 93.1 t . . . . . 0 N--CA 1.455 -0.189 0 CA-C-O 120.746 0.308 . . . . 0.0 110.506 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.74 -40.68 93.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.491 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.79 -48.94 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.633 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 73.0 p -64.35 -40.44 95.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.794 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.405 ' O ' ' CB ' ' C' ' 36' ' ' LEU . 96.3 mt -64.67 -42.9 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.646 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.01 -44.26 97.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.788 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.6 -51.84 33.82 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.408 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.48 -44.52 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.7 0.286 . . . . 0.0 110.786 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' C' ' 32' ' ' ILE . 56.4 tp -62.57 -44.81 95.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.995 0.426 . . . . 0.0 111.056 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.661 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -62.12 -39.93 94.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.317 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.622 HD21 ' ND1' ' B' ' 37' ' ' HIS . 13.5 mt -61.67 -38.78 89.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.995 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.33 -44.25 98.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.299 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.0 mt -74.44 -41.62 60.54 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.159 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -69.87 -46.51 65.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.876 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.567 HG22 ' O ' ' C' ' 38' ' ' LEU . 10.7 tp -61.47 -38.34 79.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.33 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 28.1 mt -62.24 -39.74 93.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.147 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 43.2 t0 . . . . . 0 C--N 1.321 -0.643 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.555 -179.999 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 90.7 t . . . . . 0 C--O 1.233 0.194 0 CA-C-O 120.907 0.384 . . . . 0.0 110.475 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.0 -44.88 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.42 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.39 91.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.53 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.96 -49.15 72.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.705 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 74.3 p -64.26 -40.2 95.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.725 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.404 ' O ' ' CB ' ' D' ' 36' ' ' LEU . 96.1 mt -64.83 -42.86 96.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.658 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 71.0 mt -60.98 -44.58 98.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.77 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.19 -52.05 34.45 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.299 -179.532 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.43 -44.48 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.94 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . 0.404 ' CB ' ' O ' ' D' ' 32' ' ' ILE . 57.4 tp -62.47 -44.59 96.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.064 0.459 . . . . 0.0 111.034 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.661 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.6 t60 -62.43 -39.78 94.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.373 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.661 HD21 ' ND1' ' C' ' 37' ' ' HIS . 13.4 mt -61.84 -38.93 90.03 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.886 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.06 -44.31 98.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.339 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 94.0 mt -74.38 -41.23 61.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.102 0.477 . . . . 0.0 111.256 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -70.34 -46.49 64.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.827 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.566 HG22 ' O ' ' D' ' 38' ' ' LEU . 10.8 tp -61.32 -38.51 80.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.246 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 29.2 mt -62.12 -39.96 94.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.239 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 43.3 t0 . . . . . 0 C--N 1.324 -0.502 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.535 179.998 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.0 t . . . . . 0 C--O 1.234 0.276 0 CA-C-O 121.027 0.441 . . . . 0.0 110.598 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.2 t -65.49 -43.86 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.253 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.49 -38.7 90.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.579 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.67 -49.89 71.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.559 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.1 m -62.59 -41.78 99.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.769 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.58 -42.4 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.546 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.541 HG23 HD11 ' B' ' 38' ' ' LEU . 70.7 mt -61.24 -43.94 97.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.753 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.78 -53.5 37.5 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 120.638 -0.792 . . . . 0.0 111.207 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.92 -44.44 92.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.837 0.351 . . . . 0.0 110.949 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.07 -44.74 96.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.008 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.694 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -63.5 -39.29 94.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.293 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.629 ' O ' HG22 ' A' ' 42' ' ' ILE . 11.7 mt -61.54 -39.75 92.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.178 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.02 -44.22 98.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.364 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.1 mt -73.31 -42.8 61.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.028 0.442 . . . . 0.0 110.987 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -69.11 -48.17 63.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.769 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.9 tt -61.76 -35.79 69.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.936 0.398 . . . . 0.0 110.077 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.66 -43.01 99.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.345 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 . . . . . 0 C--N 1.325 -0.482 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.713 -179.803 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 86.8 t . . . . . 0 C--O 1.231 0.122 0 CA-C-O 120.83 0.348 . . . . 0.0 110.262 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.64 90.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.484 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.68 -49.97 71.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.584 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 51.9 m -62.51 -41.79 99.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.763 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.55 -42.36 95.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.54 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.52 HG23 HD11 ' C' ' 38' ' ' LEU . 69.2 mt -61.2 -44.25 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.768 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.42 -53.52 38.56 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 120.538 -0.839 . . . . 0.0 111.267 -179.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.88 -44.49 92.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.02 -44.6 96.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.662 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -63.81 -39.18 93.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.358 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.694 HD21 ' ND1' ' A' ' 37' ' ' HIS . 11.3 mt -61.49 -39.73 91.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.123 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.96 -44.28 98.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.409 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.6 mt -73.48 -42.66 61.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.986 0.422 . . . . 0.0 111.043 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -69.07 -47.9 64.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.796 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.638 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.6 tt -62.37 -35.6 70.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.886 0.374 . . . . 0.0 110.067 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 45.4 tp -61.78 -42.94 99.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.207 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.0 m-20 . . . . . 0 C--N 1.324 -0.501 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.772 -179.762 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 88.9 t . . . . . 0 N--CA 1.458 -0.046 0 CA-C-O 120.911 0.386 . . . . 0.0 110.291 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.24 92.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.508 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.0 -50.24 69.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.632 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 55.0 m -62.21 -42.02 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.744 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.42 -42.51 96.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.496 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.523 HG23 HD11 ' D' ' 38' ' ' LEU . 71.4 mt -60.91 -44.07 97.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.793 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.73 -53.68 36.41 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.183 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.8 -44.41 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.14 -44.99 95.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.666 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.8 t60 -63.35 -39.12 93.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.328 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.662 HD21 ' ND1' ' B' ' 37' ' ' HIS . 11.6 mt -61.49 -39.91 92.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.26 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.86 -44.22 98.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.415 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 50.8 mt -73.48 -42.83 61.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.026 0.441 . . . . 0.0 111.06 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -68.83 -48.03 64.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.791 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.64 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.8 tt -62.16 -35.59 69.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.042 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.91 -42.84 99.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.243 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 . . . . . 0 C--N 1.325 -0.479 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.751 -179.802 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 92.2 t . . . . . 0 C--O 1.234 0.253 0 CA-C-O 120.972 0.415 . . . . 0.0 110.525 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.6 -43.86 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.275 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.6 90.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.52 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.57 -50.22 70.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.573 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 51.6 m -62.35 -41.71 98.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.808 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.59 -42.36 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.479 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.508 HG23 HD11 ' A' ' 38' ' ' LEU . 69.6 mt -61.23 -44.07 97.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.79 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.56 -53.58 37.7 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.3 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.86 -44.6 92.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.01 -44.76 96.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.61 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.8 t60 -63.49 -39.32 94.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.273 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.666 HD21 ' ND1' ' C' ' 37' ' ' HIS . 11.4 mt -61.47 -39.87 92.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.091 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 94.9 mt -61.93 -44.3 98.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.433 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 51.3 mt -73.24 -42.52 62.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.009 0.433 . . . . 0.0 111.005 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -69.12 -48.52 62.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.818 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.636 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.8 tt -61.72 -35.53 68.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.028 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 45.4 tp -61.97 -43.0 99.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.257 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 . . . . . 0 C--N 1.325 -0.461 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.701 -179.769 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.0 t . . . . . 0 C--O 1.235 0.315 0 CA-C-O 121.082 0.468 . . . . 0.0 111.112 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 29' ' ' ALA . 28.3 m -66.55 -43.06 90.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.083 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.466 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -56.51 -40.99 75.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.011 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.25 -43.24 82.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.54 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.1 m -60.24 -46.02 91.22 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.78 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.452 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 1.2 mp -67.03 -41.32 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.767 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.15 -45.04 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.919 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.06 -50.97 36.53 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.372 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.39 -43.2 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.64 0.257 . . . . 0.0 111.485 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.91 -43.7 98.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.758 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.573 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.1 t60 -62.11 -41.87 98.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.871 0.367 . . . . 0.0 110.543 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.578 HD21 ' ND1' ' D' ' 37' ' ' HIS . 9.1 mt -61.82 -39.98 93.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.358 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.3 -45.1 99.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.476 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.24 -44.43 65.33 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.512 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.418 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 65.3 t90 -68.92 -46.28 68.68 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.975 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.476 HG22 ' O ' ' A' ' 38' ' ' LEU . 3.8 tp -64.02 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 43.9 tp -64.67 -39.36 93.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.284 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.5 t0 . . . . . 0 C--N 1.329 -0.311 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.294 -179.567 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.461 HG23 ' N ' ' B' ' 29' ' ' ALA . 28.2 m . . . . . 0 CA--C 1.517 -0.298 0 N-CA-C 110.018 -0.364 . . . . 0.0 110.018 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.461 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -56.63 -40.86 76.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.081 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.27 -43.28 82.94 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.494 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -60.32 -46.01 91.4 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.448 ' N ' ' CD1' ' B' ' 32' ' ' ILE . 1.2 mp -66.9 -41.47 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.722 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 71.8 mt -60.0 -45.12 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.906 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.07 -51.0 36.23 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.322 -179.678 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.29 -43.16 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.553 0.216 . . . . 0.0 111.576 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.78 -43.74 98.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.813 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.583 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.1 t60 -62.07 -42.0 98.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.483 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.573 HD21 ' ND1' ' A' ' 37' ' ' HIS . 8.9 mt -61.82 -39.9 93.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.351 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.39 -45.02 99.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.411 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.32 -44.55 64.92 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.839 -0.345 . . . . 0.0 111.387 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 65.3 t90 -68.91 -46.29 68.69 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.933 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.47 HG22 ' O ' ' B' ' 38' ' ' LEU . 3.9 tp -63.97 -40.67 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.411 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 43.9 tp -64.75 -39.32 93.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.207 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 42.7 t0 . . . . . 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.239 -179.47 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.459 HG23 ' N ' ' C' ' 29' ' ' ALA . 28.3 m . . . . . 0 CA--C 1.517 -0.291 0 CA-C-O 120.856 0.36 . . . . 0.0 110.065 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.459 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -56.58 -40.95 76.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.986 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.25 -43.26 82.79 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.452 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 70.7 m -60.3 -46.02 91.34 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.83 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.456 ' CD1' ' N ' ' C' ' 32' ' ' ILE . 1.2 mp -67.09 -41.32 86.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.692 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.03 -45.16 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.869 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.12 -50.99 36.02 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.304 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.24 -43.22 95.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.592 0.235 . . . . 0.0 111.538 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.83 -43.83 98.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.77 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.588 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -62.02 -41.98 98.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.446 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.583 HD21 ' ND1' ' B' ' 37' ' ' HIS . 8.8 mt -61.86 -39.9 93.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.354 -179.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.36 -44.93 99.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.514 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.43 -44.55 64.63 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.434 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 65.0 t90 -68.86 -46.28 68.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.87 -179.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.482 HG22 ' O ' ' C' ' 38' ' ' LEU . 3.8 tp -63.93 -40.75 90.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 43.8 tp -64.72 -39.36 93.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.177 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 42.5 t0 . . . . . 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.223 -179.548 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 88.8 t . . . . . 0 C--O 1.235 0.321 0 CA-C-O 120.961 0.41 . . . . 0.0 111.192 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . 0.455 HG23 ' N ' ' D' ' 29' ' ' ALA . 28.2 m -66.63 -42.97 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.071 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.455 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -56.62 -40.87 76.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.985 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.43 82.77 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.45 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 69.9 m -60.18 -46.12 90.8 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.759 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.446 ' N ' ' CD1' ' D' ' 32' ' ' ILE . 1.2 mp -66.94 -41.34 87.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.759 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.03 -45.16 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.914 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.1 -51.0 36.09 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.341 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.21 -43.19 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.684 0.278 . . . . 0.0 111.596 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.86 -43.86 98.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.715 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.578 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -61.97 -42.0 98.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.0 0.428 . . . . 0.0 110.501 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.588 HD21 ' ND1' ' C' ' 37' ' ' HIS . 8.9 mt -61.81 -39.95 93.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.384 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.33 -45.01 99.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.434 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.34 -44.53 64.89 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.472 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.415 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 65.1 t90 -68.76 -46.5 68.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.889 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.484 HG22 ' O ' ' D' ' 38' ' ' LEU . 3.9 tp -63.85 -40.78 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 43.1 tp -64.7 -39.4 93.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.176 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 42.4 t0 . . . . . 0 C--N 1.33 -0.244 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.328 -179.559 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 28' ' ' VAL . 4.6 m . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.909 0.385 . . . . 0.0 110.669 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.449 ' N ' HG23 ' A' ' 27' ' ' VAL . 84.7 t -61.02 -44.41 98.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.304 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.2 87.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.15 -47.74 74.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.9 m -61.0 -42.47 98.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.493 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.89 -42.26 95.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.438 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.527 HG23 HD11 ' B' ' 38' ' ' LEU . 80.7 mt -61.36 -44.18 98.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.72 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.63 -52.42 48.89 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.202 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.02 -44.64 92.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.59 -46.61 87.52 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.149 0.499 . . . . 0.0 110.946 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.542 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.3 t60 -59.76 -40.41 88.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.194 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.513 HD11 HG23 ' D' ' 33' ' ' ILE . 14.6 mt -61.67 -39.79 92.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . 0.48 ' O ' HD13 ' A' ' 43' ' ' LEU . 93.7 mt -59.0 -49.27 83.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.219 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -69.57 -42.83 73.98 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.619 -0.433 . . . . 0.0 111.668 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -67.22 -39.81 86.29 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.34 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 52.4 mt -62.75 -45.99 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.557 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 39' ' ' ILE . 8.6 mp -65.74 -37.63 86.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.477 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.0 t0 . . . . . 0 C--N 1.328 -0.336 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.311 -179.517 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.5 t . . . . . 0 C--O 1.231 0.106 0 CA-C-O 120.783 0.325 . . . . 0.0 110.366 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.08 87.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.15 -47.8 74.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.465 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 62.3 m -60.91 -42.63 98.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.561 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.75 -42.35 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.48 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.538 HG23 HD11 ' C' ' 38' ' ' LEU . 79.4 mt -61.25 -44.23 98.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.823 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.6 -52.3 49.82 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.084 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.28 -44.49 91.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.117 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.78 -46.43 88.03 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.024 0.44 . . . . 0.0 110.882 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.505 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.1 t60 -59.73 -40.59 88.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.118 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.542 HD21 ' ND1' ' A' ' 37' ' ' HIS . 14.5 mt -61.5 -39.9 92.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . 0.468 ' O ' HD13 ' B' ' 43' ' ' LEU . 94.7 mt -58.79 -49.36 83.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.215 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 mt -69.78 -42.84 73.27 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.521 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -67.0 -39.89 87.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.416 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 52.1 mt -62.78 -46.14 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.467 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.468 HD13 ' O ' ' B' ' 39' ' ' ILE . 8.6 mp -65.72 -37.45 86.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.456 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 . . . . . 0 C--N 1.328 -0.338 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.095 -179.208 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 86.6 t . . . . . 0 N--CA 1.455 -0.179 0 CA-C-O 120.822 0.344 . . . . 0.0 110.452 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -37.97 86.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.394 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.92 74.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.499 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 61.7 m -60.9 -42.53 98.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.553 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.8 -42.3 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.43 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.523 HG23 HD11 ' D' ' 38' ' ' LEU . 79.7 mt -61.44 -44.06 97.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.733 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.63 -52.44 48.75 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.06 -179.617 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.06 -44.59 91.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.216 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.71 -46.56 87.57 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.082 0.467 . . . . 0.0 110.823 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.485 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.3 t60 -59.8 -40.36 88.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.21 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.538 HD11 HG23 ' B' ' 33' ' ' ILE . 14.5 mt -61.66 -39.75 92.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . 0.482 ' O ' HD13 ' C' ' 43' ' ' LEU . 93.9 mt -58.93 -49.26 83.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.19 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.2 mt -69.6 -42.95 73.75 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.549 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -67.11 -39.92 86.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.481 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 52.6 mt -62.67 -46.2 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 121.091 -0.243 . . . . 0.0 110.485 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.482 HD13 ' O ' ' C' ' 39' ' ' ILE . 8.6 mp -65.59 -37.6 87.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.537 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 67.1 t0 . . . . . 0 C--N 1.329 -0.325 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.163 -179.495 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . 0.434 HG23 ' N ' ' D' ' 28' ' ' VAL . 4.4 m . . . . . 0 C--O 1.233 0.228 0 CA-C-O 121.027 0.441 . . . . 0.0 110.59 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . 0.434 ' N ' HG23 ' D' ' 27' ' ' VAL . 85.5 t -60.96 -44.49 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.391 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.2 87.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.75 74.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.428 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 62.2 m -60.88 -42.59 98.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.486 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.79 -42.39 95.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.513 HG23 HD11 ' A' ' 38' ' ' LEU . 81.0 mt -61.27 -44.21 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.69 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.59 -52.34 49.55 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.409 -0.901 . . . . 0.0 111.117 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.13 -44.58 91.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.684 0.278 . . . . 0.0 111.204 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.73 -46.46 88.0 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.079 0.466 . . . . 0.0 110.859 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.472 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.1 t60 -59.69 -40.67 88.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.137 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.523 HD11 HG23 ' C' ' 33' ' ' ILE . 14.6 mt -61.54 -39.84 92.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . 0.477 ' O ' HD13 ' D' ' 43' ' ' LEU . 94.1 mt -58.84 -49.29 83.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.178 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 mt -69.64 -42.91 73.65 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.557 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -66.97 -39.93 87.34 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.558 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 53.7 mt -62.72 -45.93 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.596 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.477 HD13 ' O ' ' D' ' 39' ' ' ILE . 8.6 mp -65.8 -37.62 86.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.46 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 . . . . . 0 C--N 1.328 -0.345 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.26 -179.436 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.5 t . . . . . 0 C--O 1.234 0.241 0 CA-C-O 121.048 0.451 . . . . 0.0 110.635 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.6 t -63.76 -44.48 98.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.492 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.74 95.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.647 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.87 -50.21 66.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.575 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -62.65 -43.03 99.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.753 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.503 HG22 HD12 ' A' ' 36' ' ' LEU . 91.1 mt -62.09 -41.71 92.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.859 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.65 -43.12 86.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.7 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -49.79 74.74 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.272 -179.356 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.3 mm -63.62 -47.82 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.668 0.27 . . . . 0.0 111.146 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.503 HD12 HG22 ' A' ' 32' ' ' ILE . 44.4 mt -61.93 -43.62 98.47 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.137 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.407 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 7.6 t60 -65.34 -41.97 93.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.741 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.511 ' O ' HG22 ' A' ' 42' ' ' ILE . 2.4 mt -62.07 -40.53 96.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -61.55 -44.52 98.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.482 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.1 mt -74.35 -41.85 60.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.014 0.435 . . . . 0.0 111.184 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.408 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.4 t90 -68.28 -46.51 70.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.895 -178.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 38' ' ' LEU . 18.6 tt -61.53 -38.6 80.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.219 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 43' ' ' LEU . 1.5 tt -61.76 -41.36 97.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.196 0.522 . . . . 0.0 109.966 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 . . . . . 0 C--N 1.326 -0.415 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.486 -179.534 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 74.2 t . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.781 0.325 . . . . 0.0 110.41 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.68 96.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.521 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.78 -50.25 66.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.911 0.386 . . . . 0.0 110.658 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -62.78 -42.98 99.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.733 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.519 HG22 HD12 ' B' ' 36' ' ' LEU . 90.2 mt -62.1 -41.93 93.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 68.5 mt -58.27 -43.3 85.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.783 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.89 -49.91 73.46 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.222 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 43.2 mm -63.58 -47.6 90.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.189 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.519 HD12 HG22 ' B' ' 32' ' ' ILE . 44.1 mt -62.01 -43.76 98.14 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.141 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.411 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 7.7 t60 -65.32 -41.93 93.5 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.822 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.523 ' O ' HG22 ' B' ' 42' ' ' ILE . 2.4 mt -62.17 -40.49 96.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.741 -179.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.45 -44.63 98.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.519 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 58.5 mt -74.2 -41.87 60.71 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.022 0.439 . . . . 0.0 111.11 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.407 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 75.1 t90 -68.34 -46.45 70.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.938 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.523 HG22 ' O ' ' B' ' 38' ' ' LEU . 18.6 tt -61.54 -38.38 80.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.21 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.622 HD23 ' O ' ' B' ' 43' ' ' LEU . 1.5 tt -61.95 -41.46 98.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.18 0.514 . . . . 0.0 109.922 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 . . . . . 0 C--N 1.326 -0.451 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.461 -179.442 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 71.0 t . . . . . 0 N--CA 1.455 -0.181 0 CA-C-O 120.854 0.359 . . . . 0.0 110.603 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.71 95.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.595 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.82 -50.13 66.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.633 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -62.91 -42.9 99.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.788 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.513 HG22 HD12 ' C' ' 36' ' ' LEU . 91.5 mt -62.05 -41.82 92.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.797 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 68.6 mt -58.45 -43.24 86.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.662 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -49.81 74.53 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 120.581 -0.818 . . . . 0.0 111.244 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 43.8 mm -63.7 -47.59 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.218 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.513 HD12 HG22 ' C' ' 32' ' ' ILE . 44.0 mt -62.02 -43.55 98.59 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.12 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.402 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 7.7 t60 -65.47 -41.87 92.86 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.764 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.531 ' O ' HG22 ' C' ' 42' ' ' ILE . 2.3 mt -62.34 -40.29 95.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 79.0 mt -61.61 -44.58 98.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.523 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 59.7 mt -74.2 -42.01 60.49 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.952 0.406 . . . . 0.0 111.094 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.411 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 74.9 t90 -68.27 -46.69 69.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.848 -178.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.531 HG22 ' O ' ' C' ' 38' ' ' LEU . 18.7 tt -61.5 -38.26 79.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.193 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.622 HD23 ' O ' ' C' ' 43' ' ' LEU . 1.5 tt -62.0 -41.49 98.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.208 0.528 . . . . 0.0 109.883 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 . . . . . 0 C--N 1.326 -0.444 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.466 -179.479 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 82.1 t . . . . . 0 C--O 1.233 0.236 0 CA-C-O 120.974 0.416 . . . . 0.0 110.623 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.52 -44.51 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.506 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.67 96.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.634 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.85 -50.07 67.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.857 0.361 . . . . 0.0 110.704 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -62.83 -42.89 99.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.8 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.501 HG22 HD12 ' D' ' 36' ' ' LEU . 91.5 mt -62.13 -41.78 92.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.814 -179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 68.3 mt -58.53 -43.2 86.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.72 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -49.86 74.02 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.258 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mm -63.56 -47.62 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.208 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . 0.501 HD12 HG22 ' D' ' 32' ' ' ILE . 45.4 mt -61.87 -43.77 98.17 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.125 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.408 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 7.8 t60 -65.48 -41.78 92.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.767 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.521 ' O ' HG22 ' D' ' 42' ' ' ILE . 2.4 mt -62.36 -40.35 96.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.52 -44.63 98.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.551 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 59.0 mt -74.26 -42.01 60.34 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.132 0.492 . . . . 0.0 111.187 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.402 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 75.3 t90 -68.19 -46.61 70.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.857 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.521 HG22 ' O ' ' D' ' 38' ' ' LEU . 18.6 tt -61.49 -38.25 79.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.238 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.62 HD23 ' O ' ' D' ' 43' ' ' LEU . 1.5 tt -62.0 -41.43 98.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.234 0.54 . . . . 0.0 109.965 -179.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 99.9 m-20 . . . . . 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.446 -179.49 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.8 t . . . . . 0 C--O 1.233 0.212 0 CA-C-O 121.029 0.442 . . . . 0.0 110.346 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.42 -43.77 97.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.383 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -39.85 85.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.547 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.96 -46.39 78.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.527 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -67.08 -39.79 86.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.771 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . 0.407 ' O ' ' CB ' ' A' ' 36' ' ' LEU . 95.2 mt -64.27 -42.96 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.587 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.56 -44.65 97.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.745 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.46 -48.55 23.28 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.418 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.41 -45.52 92.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.771 0.319 . . . . 0.0 110.835 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 32' ' ' ILE . 46.9 tp -63.34 -44.94 93.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.56 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.4 t60 -59.77 -40.56 88.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.337 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.476 HD21 ' ND1' ' D' ' 37' ' ' HIS . 14.4 mt -61.4 -39.86 92.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.046 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.0 -47.19 90.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.327 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.62 -44.27 62.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.085 0.469 . . . . 0.0 111.168 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -65.52 -35.65 81.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.844 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 38' ' ' LEU . 2.6 mm -63.48 -44.68 98.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.31 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.8 mt -61.19 -40.24 93.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.551 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 55.3 t0 . . . . . 0 C--N 1.323 -0.561 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.605 -179.996 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.8 t . . . . . 0 N--CA 1.456 -0.131 0 CA-C-O 120.718 0.295 . . . . 0.0 110.358 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.2 86.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.435 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.92 77.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.506 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 78.0 p -66.63 -39.94 88.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.809 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . 0.404 ' O ' ' CB ' ' B' ' 36' ' ' LEU . 94.7 mt -64.31 -42.89 96.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.649 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 74.0 mt -60.54 -44.76 97.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.716 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.3 -48.75 23.41 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.425 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.18 -45.66 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.899 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . 0.404 ' CB ' ' O ' ' B' ' 32' ' ' ILE . 46.8 tp -63.18 -44.86 94.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.096 0.474 . . . . 0.0 110.875 -179.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.42 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.7 t60 -59.8 -40.29 87.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.312 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.56 HD21 ' ND1' ' A' ' 37' ' ' HIS . 14.7 mt -61.64 -39.77 92.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 92.9 mt -59.11 -47.13 91.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.462 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.69 -43.62 62.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.089 0.471 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -66.38 -35.02 79.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.028 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' B' ' 38' ' ' LEU . 2.6 mm -63.93 -44.74 98.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.268 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.4 mt -61.16 -40.33 93.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 55.1 t0 . . . . . 0 C--N 1.324 -0.526 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.631 179.899 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 85.9 t . . . . . 0 N--CA 1.457 -0.103 0 CA-C-O 120.771 0.319 . . . . 0.0 110.333 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.43 -40.18 85.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.475 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.72 -46.37 77.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.57 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 78.3 p -66.99 -39.87 87.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.755 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . 0.408 ' O ' ' CB ' ' C' ' 36' ' ' LEU . 94.2 mt -64.29 -42.88 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.618 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.37 -44.84 96.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.731 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.29 -48.92 22.66 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.508 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.07 -45.54 94.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.896 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' C' ' 32' ' ' ILE . 46.9 tp -63.22 -44.84 94.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.01 0.433 . . . . 0.0 110.906 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.523 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -59.88 -40.41 88.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.414 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.42 HD21 ' ND1' ' B' ' 37' ' ' HIS . 14.6 mt -61.52 -39.94 92.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 93.8 mt -58.82 -47.52 89.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 C-N-CA 120.156 -0.617 . . . . 0.0 110.406 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 87.5 mt -72.38 -44.04 63.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.07 0.462 . . . . 0.0 111.26 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -65.81 -35.45 80.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.966 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' C' ' 38' ' ' LEU . 2.6 mm -63.63 -44.85 98.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.248 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 66.8 mt -61.06 -40.53 94.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.614 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 54.6 t0 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.605 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 95.6 t . . . . . 0 N--CA 1.454 -0.229 0 CA-C-O 121.028 0.442 . . . . 0.0 110.372 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 84.2 t -61.48 -43.99 97.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -40.3 86.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.422 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.82 -46.36 78.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.532 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 77.9 p -67.21 -39.52 86.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.771 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . 0.403 ' O ' ' CB ' ' D' ' 36' ' ' LEU . 94.2 mt -64.54 -42.81 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.615 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 74.6 mt -60.43 -44.97 97.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.803 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.3 -48.8 23.15 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.365 -179.845 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.0 -45.65 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.79 0.328 . . . . 0.0 110.956 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . 0.403 ' CB ' ' O ' ' D' ' 32' ' ' ILE . 47.3 tp -63.36 -44.52 94.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.027 0.441 . . . . 0.0 110.916 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.476 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.6 t60 -60.05 -40.11 88.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.405 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.523 HD21 ' ND1' ' C' ' 37' ' ' HIS . 14.8 mt -61.76 -39.85 93.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.005 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 93.8 mt -58.93 -47.46 89.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.445 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.45 -43.83 63.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.073 0.464 . . . . 0.0 111.21 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -66.11 -35.37 80.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.939 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.405 ' CG1' ' O ' ' D' ' 38' ' ' LEU . 2.6 mm -63.61 -44.72 98.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.187 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.23 -40.29 93.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.626 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 55.5 t0 . . . . . 0 C--N 1.323 -0.563 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.552 -179.994 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.3 t . . . . . 0 C--O 1.235 0.324 0 CA-C-O 120.83 0.347 . . . . 0.0 110.84 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . 0.531 HG13 ' N ' ' A' ' 29' ' ' ALA . 7.2 p -64.21 -42.95 97.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . 0.531 ' N ' HG13 ' A' ' 28' ' ' VAL . . . -57.39 -44.23 84.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.438 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.28 -50.77 66.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.564 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.4 m -60.52 -42.75 97.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.704 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 94.0 mt -63.19 -42.48 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.428 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.529 HG23 HD11 ' B' ' 38' ' ' LEU . 72.3 mt -60.99 -43.92 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.641 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.01 -52.62 39.98 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.72 -44.42 93.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.659 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.75 -44.6 95.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.677 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -64.5 -38.91 92.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.498 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.645 HD21 ' ND1' ' D' ' 37' ' ' HIS . 11.8 mt -61.35 -39.93 92.4 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.137 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.04 -44.05 98.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.14 0.495 . . . . 0.0 110.365 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.4 mt -73.77 -41.17 62.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.944 0.402 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -70.48 -45.86 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.575 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 38' ' ' LEU . 18.2 tt -63.56 -39.9 87.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.293 -178.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . 0.446 ' N ' HG23 ' A' ' 42' ' ' ILE . 35.7 mt -62.44 -41.57 98.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.681 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 . . . . . 0 C--N 1.326 -0.423 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 -179.829 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . 0.53 HG13 ' N ' ' B' ' 29' ' ' ALA . 7.2 p . . . . . 0 CA--C 1.523 -0.08 0 CA-C-O 120.953 0.406 . . . . 0.0 110.611 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . 0.53 ' N ' HG13 ' B' ' 28' ' ' VAL . . . -57.33 -44.57 84.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.405 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.02 -50.3 66.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.646 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -61.36 -42.4 98.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.681 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.14 -42.28 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.507 HG23 HD11 ' C' ' 38' ' ' LEU . 73.7 mt -61.28 -44.01 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.625 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.74 -52.66 40.49 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.85 -44.66 92.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.942 0.401 . . . . 0.0 110.718 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.51 -44.89 95.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.055 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.673 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.3 t60 -64.12 -39.57 94.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.481 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.677 HD21 ' ND1' ' A' ' 37' ' ' HIS . 11.4 mt -60.77 -40.08 91.17 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.082 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.85 -43.89 98.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.028 0.442 . . . . 0.0 110.357 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.6 mt -73.93 -41.41 62.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.982 0.42 . . . . 0.0 110.875 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -70.05 -45.91 66.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.567 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.533 HG22 ' O ' ' B' ' 38' ' ' LEU . 18.1 tt -63.47 -40.49 89.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.326 -178.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . 0.458 ' N ' HG23 ' B' ' 42' ' ' ILE . 35.8 mt -61.86 -41.38 97.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 66.8 t0 . . . . . 0 C--N 1.325 -0.489 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.432 -179.694 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . 0.541 HG13 ' N ' ' C' ' 29' ' ' ALA . 7.5 p . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.922 0.391 . . . . 0.0 110.472 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . 0.541 ' N ' HG13 ' C' ' 28' ' ' VAL . . . -57.4 -44.31 84.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.443 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.21 -50.52 66.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.563 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -60.99 -42.85 99.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.619 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.11 -42.19 95.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.311 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.531 HG23 HD11 ' D' ' 38' ' ' LEU . 72.4 mt -61.17 -43.58 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.725 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.4 -52.63 38.27 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.493 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.6 -44.61 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.653 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.6 -44.59 95.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.658 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -64.24 -39.3 93.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.456 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.673 HD21 ' ND1' ' B' ' 37' ' ' HIS . 11.4 mt -61.28 -39.69 91.36 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.25 -43.81 98.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.938 0.399 . . . . 0.0 110.287 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 mt -73.95 -41.26 62.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.952 0.406 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 t90 -70.29 -46.26 64.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.588 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.551 HG22 ' O ' ' C' ' 38' ' ' LEU . 18.3 tt -63.18 -40.19 88.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.423 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . 0.461 ' N ' HG23 ' C' ' 42' ' ' ILE . 35.3 mt -62.13 -41.52 98.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.619 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 68.3 t0 . . . . . 0 C--N 1.326 -0.437 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.465 -179.727 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 95.1 t . . . . . 0 C--O 1.235 0.327 0 CA-C-O 120.822 0.344 . . . . 0.0 110.842 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . 0.533 HG13 ' N ' ' D' ' 29' ' ' ALA . 7.3 p -64.37 -42.94 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.581 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . 0.533 ' N ' HG13 ' D' ' 28' ' ' VAL . . . -57.54 -44.24 85.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.423 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.19 -50.36 67.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.564 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 49.1 m -61.27 -42.49 98.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.676 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.2 -42.31 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.527 HG23 HD11 ' A' ' 38' ' ' LEU . 72.7 mt -61.16 -44.04 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.568 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.93 -52.73 39.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.4 -44.93 94.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.978 0.418 . . . . 0.0 110.739 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.37 -45.02 95.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.072 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.645 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -63.8 -39.49 94.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.435 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.658 HD21 ' ND1' ' C' ' 37' ' ' HIS . 11.7 mt -61.11 -39.93 91.82 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.243 -179.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.8 -43.93 98.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.107 0.479 . . . . 0.0 110.316 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 55.2 mt -73.94 -41.43 62.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.992 0.425 . . . . 0.0 110.82 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -70.17 -45.72 66.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.634 -178.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.553 HG22 ' O ' ' D' ' 38' ' ' LEU . 18.1 tt -63.81 -39.59 85.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.342 -178.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . 0.444 ' N ' HG23 ' D' ' 42' ' ' ILE . 35.6 mt -62.78 -40.87 98.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.737 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 67.8 t0 . . . . . 0 C--N 1.325 -0.469 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.499 -179.745 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t . . . . . 0 C--O 1.231 0.094 0 CA-C-O 120.924 0.392 . . . . 0.0 110.217 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.3 t -65.97 -43.43 92.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.329 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.56 -31.02 63.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.349 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.68 -42.04 61.84 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.562 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -68.41 -44.36 75.19 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.007 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.25 -35.89 76.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.546 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' ILE . . . . . 0.592 HG23 HD11 ' B' ' 38' ' ' LEU . 31.8 mt -62.2 -45.71 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.74 -52.01 55.12 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.171 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ILE . . . . . 0.409 HD11 HD11 ' D' ' 33' ' ' ILE . 37.5 mm -68.42 -44.34 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.18 -46.38 89.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.607 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' HIS . . . . . 0.63 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -64.93 -41.49 95.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.246 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' LEU . . . . . 0.577 HD11 HG23 ' D' ' 33' ' ' ILE . 9.4 mt -60.92 -40.94 95.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.406 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.87 -44.56 99.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.227 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.76 -43.28 69.13 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.206 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' TRP . . . . . 0.415 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 71.5 t90 -69.06 -46.75 67.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.493 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.3 tt -65.24 -39.67 86.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.953 0.406 . . . . 0.0 110.291 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.12 -41.66 98.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.35 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.325 -0.468 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.482 -179.767 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.9 t . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.863 0.363 . . . . 0.0 110.349 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.67 -30.79 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.259 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.01 -41.96 61.07 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.52 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 77.6 p -68.42 -44.39 75.11 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.025 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.42 -35.76 76.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.573 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 33' ' ' ILE . . . . . 0.593 HG23 HD11 ' C' ' 38' ' ' LEU . 32.0 mt -62.23 -45.57 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.198 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.85 -52.03 54.9 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.128 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 35' ' ' ILE . . . . . 0.46 HD11 HD11 ' A' ' 33' ' ' ILE . 38.8 mm -68.31 -44.46 83.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.798 0.333 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.13 -46.38 89.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.58 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 37' ' ' HIS . . . . . 0.55 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.0 t60 -65.1 -41.34 95.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.418 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 38' ' ' LEU . . . . . 0.63 HD21 ' ND1' ' A' ' 37' ' ' HIS . 8.8 mt -60.96 -40.93 95.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.37 -179.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.99 -44.42 99.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.22 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.82 -43.39 68.69 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.145 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 41' ' ' TRP . . . . . 0.407 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 71.5 t90 -68.86 -46.8 67.54 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.647 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 42' ' ' ILE . . . . . 0.551 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.3 tt -65.22 -39.72 86.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.276 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.05 -41.62 98.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.434 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.326 -0.427 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.594 -179.772 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 92.9 t . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.943 0.402 . . . . 0.0 110.402 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.51 -30.98 63.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.314 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.76 -42.08 61.57 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.582 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 77.8 p -68.45 -44.19 75.44 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.076 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.45 -35.97 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.468 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 33' ' ' ILE . . . . . 0.567 HG23 HD11 ' D' ' 38' ' ' LEU . 32.5 mt -62.07 -45.69 98.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.154 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.49 -52.3 53.42 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.153 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 35' ' ' ILE . . . . . 0.482 HD11 HD11 ' B' ' 33' ' ' ILE . 39.2 mm -68.25 -44.41 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.71 0.291 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.12 -46.45 88.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.67 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 37' ' ' HIS . . . . . 0.619 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.9 t60 -64.97 -41.2 95.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.389 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 38' ' ' LEU . . . . . 0.593 HD11 HG23 ' B' ' 33' ' ' ILE . 9.3 mt -60.98 -41.1 95.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.304 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.8 -44.48 99.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.134 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.85 -43.3 68.76 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.177 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 71.9 t90 -68.94 -46.76 67.38 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.623 -179.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 42' ' ' ILE . . . . . 0.56 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.3 tt -65.22 -39.68 86.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.327 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.09 -41.59 98.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.418 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t70 . . . . . 0 C--N 1.326 -0.44 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.592 -179.821 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 87.7 t . . . . . 0 C--O 1.232 0.134 0 CA-C-O 120.805 0.336 . . . . 0.0 110.197 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 92.6 t -65.96 -43.45 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.369 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.6 -30.83 63.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.389 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.84 -42.07 61.38 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.533 179.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 77.9 p -68.6 -44.27 74.68 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.948 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 20.3 tt -65.22 -36.12 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.566 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 33' ' ' ILE . . . . . 0.577 HG23 HD11 ' A' ' 38' ' ' LEU . 32.0 mt -62.06 -45.72 98.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.148 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.62 -52.17 54.15 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.198 -179.595 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 35' ' ' ILE . . . . . 0.474 HD11 HD11 ' C' ' 33' ' ' ILE . 39.0 mm -68.3 -44.34 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.2 -46.24 89.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.799 0.333 . . . . 0.0 110.605 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 37' ' ' HIS . . . . . 0.557 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.9 t60 -65.13 -41.34 94.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.345 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 38' ' ' LEU . . . . . 0.619 HD21 ' ND1' ' C' ' 37' ' ' HIS . 8.8 mt -60.88 -41.0 95.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.389 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.97 -44.43 99.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.225 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.95 -43.24 68.56 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.116 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 41' ' ' TRP . . . . . 0.405 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 71.4 t90 -68.96 -46.75 67.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.603 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 42' ' ' ILE . . . . . 0.559 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.3 tt -65.31 -39.6 85.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.861 0.362 . . . . 0.0 110.351 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.17 -41.59 98.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.394 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 . . . . . 0 C--N 1.325 -0.49 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.553 -179.788 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 21.3 p . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.361 -0.607 . . . . 0.0 109.361 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.428 ' O ' ' O ' ' A' ' 23' ' ' SER . 39.0 t30 -63.48 -41.31 98.59 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.66 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -62.89 -42.53 99.81 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.516 179.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 77.7 p -67.53 -23.6 65.46 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.719 -179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.428 ' O ' ' O ' ' A' ' 20' ' ' ASN . 89.7 p -151.96 122.64 7.42 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.113 179.899 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.28 150.18 48.73 Favored Pre-proline 0 CA--C 1.536 0.422 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.517 -179.603 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.94 -20.41 51.25 Favored 'Trans proline' 0 N--CA 1.497 1.68 0 C-N-CA 122.567 2.178 . . . . 0.0 112.079 179.795 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.526 ' N ' HD12 ' A' ' 26' ' ' LEU . 9.7 mp -62.74 -42.24 99.57 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.668 -179.74 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.7 t -64.16 -44.88 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-O 120.983 0.42 . . . . 0.0 110.501 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.0 t -62.66 -43.89 98.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.252 -179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.57 94.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.591 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.51 -50.26 68.25 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.8 -0.36 . . . . 0.0 110.534 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -61.96 -42.1 98.75 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.673 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.49 -42.45 96.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.655 -179.755 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.95 -45.02 99.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.415 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.718 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.9 -50.83 38.46 Favored Glycine 0 CA--C 1.524 0.646 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.344 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -64.85 -43.95 96.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-O 120.624 0.25 . . . . 0.0 111.008 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.8 tp -61.89 -46.38 89.62 Favored 'General case' 0 C--O 1.234 0.288 0 CA-C-O 120.975 0.417 . . . . 0.0 110.88 -179.012 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.434 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.4 t60 -59.68 -39.55 84.88 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.212 179.743 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.435 HD21 ' ND1' ' D' ' 37' ' ' HIS . 14.2 mt -62.31 -38.01 87.75 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.814 -179.739 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 90.2 mt -59.93 -45.53 95.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.743 0 C-N-CA 119.865 -0.734 . . . . 0.0 110.13 -179.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.1 mt -73.17 -44.34 60.09 Favored 'General case' 0 C--N 1.327 -0.373 0 C-N-CA 120.538 -0.465 . . . . 0.0 111.46 179.828 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.466 ' CZ2' ' NE ' ' A' ' 45' ' ' ARG . 85.1 t90 -65.78 -40.04 91.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.378 -0.373 . . . . 0.0 110.996 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.54 -43.38 96.82 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.389 0 CA-C-N 116.488 -0.324 . . . . 0.0 110.329 179.228 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 36.6 mt -61.52 -39.84 92.48 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.426 -179.281 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.485 ' CG ' ' NH1' ' B' ' 45' ' ' ARG . 32.3 t70 -59.02 -45.91 89.53 Favored 'General case' 0 C--N 1.324 -0.531 0 C-N-CA 120.693 -0.403 . . . . 0.0 110.618 -179.972 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.476 ' NH1' ' CG ' ' D' ' 44' ' ' ASP . 89.0 mtt-85 -82.78 -14.48 54.35 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.981 179.922 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.4 -45.06 92.79 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.719 -179.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 86.0 m-85 -66.02 -44.84 83.57 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.947 -179.797 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.445 ' O ' ' O ' ' A' ' 45' ' ' ARG . 96.9 m-85 -135.01 151.09 50.49 Favored 'General case' 0 N--CA 1.465 0.32 0 CA-C-N 116.024 -0.534 . . . . 0.0 110.501 -179.789 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 14.7 mptt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.07 -0.967 . . . . 0.0 110.122 -179.95 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 22.9 p . . . . . 0 N--CA 1.49 1.545 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.425 ' O ' ' O ' ' B' ' 23' ' ' SER . 39.2 t30 -63.49 -41.29 98.56 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.636 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -63.0 -42.4 99.84 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.542 179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 78.3 p -67.43 -23.63 65.55 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.784 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 0.425 ' O ' ' O ' ' B' ' 20' ' ' ASN . 89.8 p -151.96 122.7 7.45 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.116 179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.5 150.18 48.2 Favored Pre-proline 0 CA--C 1.536 0.405 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.487 -179.621 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.8 -20.59 52.0 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 122.624 2.216 . . . . 0.0 112.061 179.772 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.534 ' N ' HD12 ' B' ' 26' ' ' LEU . 9.7 mp -62.67 -42.22 99.5 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.616 -179.721 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 92.3 t -64.05 -45.1 97.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-O 120.977 0.417 . . . . 0.0 110.539 179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 97.7 t -62.63 -43.87 98.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.325 -179.953 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.93 -40.72 94.32 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.478 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.66 -50.2 68.76 Favored 'General case' 0 C--N 1.327 -0.395 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.663 -179.729 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -61.91 -41.92 98.49 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.604 179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.56 -42.4 96.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.714 -179.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 72.0 mt -61.02 -44.99 99.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 C-N-CA 120.836 -0.346 . . . . 0.0 110.739 -179.551 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.09 -50.75 37.92 Favored Glycine 0 CA--C 1.525 0.669 0 C-N-CA 120.735 -0.745 . . . . 0.0 111.278 -179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.73 -44.01 96.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.63 0.252 . . . . 0.0 111.002 -179.65 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -61.9 -46.42 89.44 Favored 'General case' 0 C--O 1.234 0.277 0 CA-C-O 120.973 0.416 . . . . 0.0 110.922 -179.056 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.469 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.3 t60 -59.57 -39.61 84.65 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.286 179.711 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.434 HD21 ' ND1' ' A' ' 37' ' ' HIS . 14.3 mt -62.34 -38.04 87.96 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.793 -179.685 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -59.92 -45.56 95.0 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 119.846 -0.741 . . . . 0.0 110.109 -179.631 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.3 mt -73.08 -44.48 60.42 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.561 -0.456 . . . . 0.0 111.482 179.778 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.483 ' CZ2' ' NE ' ' B' ' 45' ' ' ARG . 85.1 t90 -65.71 -39.98 91.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.404 -0.362 . . . . 0.0 111.05 -179.605 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.52 -43.31 96.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.502 -0.317 . . . . 0.0 110.363 179.176 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 36.9 mt -61.55 -39.9 92.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.448 -179.324 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.488 ' CG ' ' NH1' ' C' ' 45' ' ' ARG . 32.6 t70 -58.93 -45.61 89.99 Favored 'General case' 0 C--N 1.323 -0.546 0 C-N-CA 120.701 -0.4 . . . . 0.0 110.676 -179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.485 ' NH1' ' CG ' ' A' ' 44' ' ' ASP . 88.5 mtt-85 -83.13 -14.45 53.56 Favored 'General case' 0 C--N 1.331 -0.214 0 CA-C-N 116.385 -0.37 . . . . 0.0 111.021 179.888 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.32 -45.09 92.93 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.363 -0.38 . . . . 0.0 110.791 -179.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 86.4 m-85 -66.14 -44.66 83.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 -179.721 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.44 ' O ' ' O ' ' B' ' 45' ' ' ARG . 97.0 m-85 -135.08 150.96 50.34 Favored 'General case' 0 N--CA 1.465 0.317 0 CA-C-N 116.043 -0.526 . . . . 0.0 110.527 -179.768 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 14.7 mptt . . . . . 0 C--O 1.22 -0.455 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.178 -179.945 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 21.9 p . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.394 -0.595 . . . . 0.0 109.394 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . 0.429 ' O ' ' O ' ' C' ' 23' ' ' SER . 38.7 t30 -63.4 -41.31 98.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.61 -179.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 99.8 m-20 -62.93 -42.47 99.81 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.527 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.1 p -67.54 -23.47 65.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.761 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . 0.429 ' O ' ' O ' ' C' ' 20' ' ' ASN . 90.5 p -151.99 122.67 7.42 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.291 -0.413 . . . . 0.0 110.096 179.982 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.5 150.13 48.11 Favored Pre-proline 0 CA--C 1.535 0.394 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.499 -179.669 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 43.2 Cg_endo -66.8 -20.48 52.1 Favored 'Trans proline' 0 N--CA 1.497 1.679 0 C-N-CA 122.605 2.204 . . . . 0.0 112.056 179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.532 ' N ' HD12 ' C' ' 26' ' ' LEU . 9.7 mp -62.68 -42.26 99.53 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.602 -179.71 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 87.7 t -64.1 -44.95 97.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-O 120.935 0.398 . . . . 0.0 110.523 179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 96.3 t -62.64 -43.93 98.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.339 -180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.02 -40.55 94.01 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.559 179.973 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.6 -50.25 68.51 Favored 'General case' 0 C--N 1.327 -0.404 0 C-N-CA 120.806 -0.358 . . . . 0.0 110.585 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 51.6 m -62.0 -42.05 98.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.338 -0.392 . . . . 0.0 110.667 179.774 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.49 -42.4 96.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.718 -179.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 71.6 mt -60.9 -45.06 98.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 C-N-CA 120.891 -0.324 . . . . 0.0 110.757 -179.605 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . 1.079 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -68.15 -50.67 38.08 Favored Glycine 0 CA--C 1.524 0.647 0 C-N-CA 120.75 -0.738 . . . . 0.0 111.377 -179.854 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.79 -43.87 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-O 120.671 0.272 . . . . 0.0 111.008 -179.633 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.97 -46.46 89.17 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.91 0.386 . . . . 0.0 110.874 -179.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.447 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.3 t60 -59.65 -39.45 84.45 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 115.951 -0.568 . . . . 0.0 110.266 179.69 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.469 HD21 ' ND1' ' B' ' 37' ' ' HIS . 14.1 mt -62.34 -38.03 87.92 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.822 -179.766 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.0 mt -59.94 -45.56 95.06 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.796 0 C-N-CA 119.875 -0.73 . . . . 0.0 110.084 -179.618 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 86.2 mt -73.15 -44.46 60.04 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.541 -0.464 . . . . 0.0 111.458 179.845 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.481 ' CZ2' ' NE ' ' C' ' 45' ' ' ARG . 85.2 t90 -65.69 -39.96 91.81 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.434 -0.348 . . . . 0.0 111.019 -179.599 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.48 -43.39 96.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.505 -0.316 . . . . 0.0 110.277 179.194 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.65 -39.82 92.71 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.456 -179.19 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.474 ' CG ' ' NH1' ' D' ' 45' ' ' ARG . 32.8 t70 -58.94 -45.55 90.14 Favored 'General case' 0 C--N 1.324 -0.533 0 C-N-CA 120.672 -0.411 . . . . 0.0 110.649 179.955 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.488 ' NH1' ' CG ' ' B' ' 44' ' ' ASP . 88.5 mtt-85 -83.18 -14.4 53.51 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.996 179.896 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.46 -45.03 92.69 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.758 -179.685 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 85.7 m-85 -66.25 -44.42 83.77 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.89 -179.73 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.45 ' O ' ' O ' ' C' ' 45' ' ' ARG . 96.9 m-85 -135.32 151.12 50.22 Favored 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.587 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 14.7 mptt . . . . . 0 C--O 1.22 -0.463 0 CA-C-O 118.063 -0.97 . . . . 0.0 110.136 -179.937 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 24.6 p . . . . . 0 N--CA 1.49 1.549 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . 0.42 ' O ' ' O ' ' D' ' 23' ' ' SER . 39.3 t30 -63.44 -41.35 98.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.618 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.7 m-20 -63.05 -42.33 99.69 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.565 179.897 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -67.77 -23.35 65.22 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.742 -179.899 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . 0.42 ' O ' ' O ' ' D' ' 20' ' ' ASN . 92.5 p -152.14 122.67 7.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.076 179.989 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -87.61 150.24 48.09 Favored Pre-proline 0 CA--C 1.535 0.399 0 CA-C-N 116.31 -0.404 . . . . 0.0 110.494 -179.592 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 43.4 Cg_endo -66.86 -20.49 51.69 Favored 'Trans proline' 0 N--CA 1.497 1.7 0 C-N-CA 122.585 2.19 . . . . 0.0 112.091 179.803 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.539 ' N ' HD12 ' D' ' 26' ' ' LEU . 9.7 mp -62.7 -42.19 99.51 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.625 -179.728 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.3 t -64.17 -44.92 97.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 120.912 0.386 . . . . 0.0 110.503 179.902 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.3 t -62.75 -43.81 99.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.328 -179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.13 -40.67 94.66 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.554 179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.56 -50.19 68.55 Favored 'General case' 0 C--N 1.327 -0.409 0 C-N-CA 120.816 -0.354 . . . . 0.0 110.551 -179.809 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 53.7 m -61.99 -42.02 98.68 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.611 179.773 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.56 -42.4 96.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.742 -179.832 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 72.3 mt -61.0 -45.07 99.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.917 -0.313 . . . . 0.0 110.718 -179.583 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.01 -50.71 38.68 Favored Glycine 0 CA--C 1.524 0.606 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.29 -179.806 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -64.87 -43.91 96.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 C-N-CA 121.082 -0.247 . . . . 0.0 111.023 -179.629 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.95 -46.41 89.41 Favored 'General case' 0 C--O 1.235 0.312 0 CA-C-O 120.907 0.384 . . . . 0.0 110.859 -179.02 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.435 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.2 t60 -59.58 -39.58 84.59 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.216 179.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.447 HD21 ' ND1' ' C' ' 37' ' ' HIS . 14.2 mt -62.38 -38.02 87.97 Favored 'General case' 0 C--O 1.22 -0.472 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.863 -179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.6 mt -59.91 -45.47 95.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.808 0 C-N-CA 119.815 -0.754 . . . . 0.0 110.084 -179.564 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 87.3 mt -73.17 -44.53 59.76 Favored 'General case' 0 C--N 1.327 -0.398 0 C-N-CA 120.587 -0.445 . . . . 0.0 111.451 179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.475 ' CZ2' ' NE ' ' D' ' 45' ' ' ARG . 85.2 t90 -65.64 -40.04 92.08 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.984 -179.521 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 4.9 mm -64.46 -43.31 96.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.459 -0.337 . . . . 0.0 110.362 179.201 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 36.8 mt -61.73 -39.74 92.61 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.413 -179.187 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.476 ' CG ' ' NH1' ' A' ' 45' ' ' ARG . 32.9 t70 -58.93 -45.58 90.05 Favored 'General case' 0 C--N 1.324 -0.529 0 C-N-CA 120.745 -0.382 . . . . 0.0 110.598 179.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.475 ' NE ' ' CZ2' ' D' ' 41' ' ' TRP . 89.1 mtt-85 -83.31 -14.34 53.2 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.449 -0.341 . . . . 0.0 110.991 179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 6.5 tt -63.45 -45.06 92.61 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.385 -0.371 . . . . 0.0 110.727 -179.668 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 85.9 m-85 -66.15 -44.58 83.74 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.899 -179.735 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.451 ' O ' ' O ' ' D' ' 45' ' ' ARG . 96.9 m-85 -135.17 151.05 50.3 Favored 'General case' 0 N--CA 1.465 0.29 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.566 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 14.7 mptt . . . . . 0 C--O 1.22 -0.452 0 CA-C-O 118.059 -0.972 . . . . 0.0 110.174 -179.919 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 1.079 'BR ' ' HA3' ' C' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 51.3 p . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 56.74 41.92 27.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.541 179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -71.82 -10.68 60.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.664 179.97 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -60.73 -44.17 96.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.64 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 67.1 m -147.21 123.33 10.81 Favored 'General case' 0 C--N 1.332 -0.167 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.138 179.68 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.35 151.5 37.49 Favored Pre-proline 0 CA--C 1.535 0.381 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.375 -179.575 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 46.1 Cg_endo -67.96 -19.87 45.51 Favored 'Trans proline' 0 N--CA 1.495 1.586 0 C-N-CA 122.436 2.091 . . . . 0.0 112.133 179.957 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.516 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.1 mp -62.64 -42.08 99.4 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.524 -179.705 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.9 t -62.72 -47.69 91.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.99 0.424 . . . . 0.0 110.51 -179.836 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.9 t -65.6 -43.8 93.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.191 179.862 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.92 -40.62 96.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.561 -179.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.55 -49.36 72.87 Favored 'General case' 0 C--N 1.327 -0.383 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.475 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -62.11 -41.78 98.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.383 -0.371 . . . . 0.0 110.509 179.637 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.82 -42.34 95.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.597 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 73.2 mt -61.43 -44.56 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 120.926 -0.31 . . . . 0.0 110.932 -179.586 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.11 -51.75 42.22 Favored Glycine 0 CA--C 1.526 0.737 0 C-N-CA 120.646 -0.788 . . . . 0.0 111.336 -179.735 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.92 -44.52 92.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.727 0.298 . . . . 0.0 111.232 -179.467 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.44 -44.42 94.57 Favored 'General case' 0 C--N 1.332 -0.189 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.639 -179.388 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.606 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.2 t60 -60.34 -40.84 92.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.127 179.714 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.651 HD21 ' ND1' ' D' ' 37' ' ' HIS . 11.9 mt -61.23 -39.36 90.0 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.152 -179.463 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.25 -44.31 98.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 119.95 -0.7 . . . . 0.0 109.893 -179.353 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.46 ' N ' HD22 ' A' ' 40' ' ' LEU . 4.0 mm? -72.43 -43.41 63.85 Favored 'General case' 0 CA--C 1.539 0.543 0 C-N-CA 120.48 -0.488 . . . . 0.0 111.348 179.532 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 73.8 t90 -69.31 -43.11 74.43 Favored 'General case' 0 N--CA 1.468 0.454 0 N-CA-C 112.377 0.51 . . . . 0.0 112.377 -178.74 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.513 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.9 tt -63.84 -41.02 91.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.53 0 C-N-CA 120.668 -0.413 . . . . 0.0 110.323 -179.138 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.554 HD13 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -61.97 -44.13 97.4 Favored 'General case' 0 CA--C 1.535 0.376 0 CA-C-O 120.791 0.329 . . . . 0.0 110.219 -179.569 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -62.9 -42.23 99.71 Favored 'General case' 0 C--N 1.331 -0.222 0 C-N-CA 120.669 -0.412 . . . . 0.0 110.332 179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 65.9 ttp85 -78.78 -17.03 56.41 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.998 -0.547 . . . . 0.0 111.007 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 57.9 tp -62.63 -42.52 99.64 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.802 0.334 . . . . 0.0 110.446 -179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -99.54 24.4 8.25 Favored 'General case' 0 N--CA 1.465 0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.162 -179.632 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -45.14 161.23 0.03 OUTLIER 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.472 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 118.064 -0.969 . . . . 0.0 110.562 -179.725 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 51.8 p . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.41 -0.589 . . . . 0.0 109.41 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 56.78 41.84 27.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.638 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -71.91 -10.38 59.69 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.645 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.06 -44.09 97.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.555 -179.874 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 66.8 m -147.14 123.13 10.73 Favored 'General case' 0 C--N 1.332 -0.181 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.14 179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.22 151.55 35.77 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.307 -179.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 47.2 Cg_endo -67.98 -19.96 45.28 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 122.423 2.082 . . . . 0.0 112.09 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.517 ' N ' HD12 ' B' ' 26' ' ' LEU . 10.1 mp -62.56 -42.12 99.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.468 -179.686 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 77.6 t -62.54 -47.87 90.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.253 0 CA-C-O 120.998 0.427 . . . . 0.0 110.484 -179.817 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 93.3 t -65.55 -43.77 94.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 115.927 -0.579 . . . . 0.0 110.266 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.12 -40.41 95.81 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.551 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.57 -49.46 72.66 Favored 'General case' 0 C--N 1.327 -0.401 0 C-N-CA 120.644 -0.422 . . . . 0.0 110.415 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 50.6 m -62.03 -41.85 98.53 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.52 179.656 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.79 -42.33 95.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.714 -179.857 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.55 -44.42 98.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.946 -0.302 . . . . 0.0 110.804 -179.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.28 -51.64 42.13 Favored Glycine 0 CA--C 1.526 0.733 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.325 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.93 -44.61 92.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-O 120.703 0.287 . . . . 0.0 111.244 -179.504 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.5 tp -63.32 -44.42 95.01 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.624 -179.379 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.655 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.2 t60 -60.38 -40.77 92.02 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.102 179.783 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.606 HD21 ' ND1' ' A' ' 37' ' ' HIS . 12.1 mt -61.42 -39.33 90.36 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.094 -0.503 . . . . 0.0 111.092 -179.363 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.21 -44.35 99.0 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.482 0 C-N-CA 119.933 -0.707 . . . . 0.0 109.851 -179.253 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.451 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.0 mm? -72.36 -43.35 64.15 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 120.532 -0.467 . . . . 0.0 111.406 179.449 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -69.49 -43.12 73.79 Favored 'General case' 0 N--CA 1.468 0.435 0 N-CA-C 112.352 0.501 . . . . 0.0 112.352 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.519 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.9 tt -63.65 -41.13 91.56 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 C-N-CA 120.541 -0.463 . . . . 0.0 110.435 -179.227 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.548 ' O ' HD13 ' B' ' 43' ' ' LEU . 0.2 OUTLIER -61.74 -44.2 97.36 Favored 'General case' 0 CA--C 1.534 0.356 0 CA-C-O 120.895 0.379 . . . . 0.0 110.255 -179.602 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -63.03 -42.2 99.7 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.702 -0.399 . . . . 0.0 110.369 179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -78.71 -16.94 56.64 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.924 -179.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.74 -42.49 99.69 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.808 0.337 . . . . 0.0 110.488 -179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -99.61 24.42 8.27 Favored 'General case' 0 N--CA 1.466 0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.196 -179.667 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -45.19 161.15 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.564 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.485 179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.22 -0.496 0 CA-C-O 118.022 -0.99 . . . . 0.0 110.514 -179.723 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 51.6 p . . . . . 0 N--CA 1.49 1.572 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 10.8 t-20 56.67 41.84 27.79 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.686 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -71.78 -10.64 60.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.613 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -60.78 -44.21 97.09 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.644 -179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 67.8 m -147.09 123.27 10.85 Favored 'General case' 0 N--CA 1.463 0.18 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.131 179.764 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.36 151.48 37.73 Favored Pre-proline 0 CA--C 1.535 0.383 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.385 -179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_endo -67.91 -19.94 45.73 Favored 'Trans proline' 0 N--CA 1.496 1.634 0 C-N-CA 122.399 2.066 . . . . 0.0 112.1 179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.525 ' N ' HD12 ' C' ' 26' ' ' LEU . 10.2 mp -62.6 -42.09 99.37 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.473 -179.652 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 72.6 t -62.69 -47.75 91.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.242 0 CA-C-O 120.956 0.407 . . . . 0.0 110.432 -179.824 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 93.2 t -65.55 -43.84 94.08 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.033 -0.53 . . . . 0.0 110.18 179.901 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.03 -40.46 95.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.573 -179.819 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.54 -49.48 72.53 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.398 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 50.4 m -62.04 -41.79 98.5 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.565 179.711 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.88 -42.28 95.29 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.693 -179.871 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 73.5 mt -61.49 -44.48 98.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.998 -0.281 . . . . 0.0 110.813 -179.585 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . 0.909 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -66.2 -51.75 41.75 Favored Glycine 0 CA--C 1.526 0.761 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.369 -179.717 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.89 -44.58 92.58 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-O 120.669 0.271 . . . . 0.0 111.256 -179.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.8 tp -63.31 -44.47 94.88 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-O 120.893 0.378 . . . . 0.0 110.64 -179.393 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.61 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.1 t60 -60.37 -40.75 91.92 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.06 179.811 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.655 HD21 ' ND1' ' B' ' 37' ' ' HIS . 11.9 mt -61.42 -39.29 90.25 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.078 -0.51 . . . . 0.0 111.114 -179.344 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.22 -44.37 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 119.972 -0.691 . . . . 0.0 109.92 -179.367 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.461 ' N ' HD22 ' C' ' 40' ' ' LEU . 4.0 mm? -72.31 -43.48 64.1 Favored 'General case' 0 CA--C 1.539 0.537 0 C-N-CA 120.56 -0.456 . . . . 0.0 111.367 179.494 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 73.4 t90 -69.39 -43.02 74.35 Favored 'General case' 0 N--CA 1.469 0.498 0 N-CA-C 112.403 0.52 . . . . 0.0 112.403 -178.709 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.519 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.8 tt -63.8 -41.01 91.13 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.417 -179.23 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.547 ' O ' HD13 ' C' ' 43' ' ' LEU . 0.2 OUTLIER -62.02 -44.21 97.2 Favored 'General case' 0 CA--C 1.535 0.39 0 CA-C-N 116.441 -0.345 . . . . 0.0 110.17 -179.549 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 25.5 t70 -62.81 -42.16 99.6 Favored 'General case' 0 C--N 1.331 -0.204 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.363 179.854 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -78.85 -16.87 56.52 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.969 -179.873 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.76 -42.45 99.69 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.828 0.347 . . . . 0.0 110.432 -179.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -99.56 24.35 8.33 Favored 'General case' 0 N--CA 1.465 0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.09 -179.536 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 5.8 p90 -45.16 161.16 0.04 OUTLIER 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.448 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.219 -0.527 0 CA-C-O 117.993 -1.003 . . . . 0.0 110.449 -179.691 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 50.8 p . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 10.7 t-20 56.75 41.96 27.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.641 179.911 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 97.2 m-20 -72.03 -10.48 59.84 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.583 -179.937 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -60.85 -44.23 97.26 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.637 179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 67.3 m -147.07 123.09 10.75 Favored 'General case' 0 C--N 1.332 -0.164 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.162 179.81 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -57.24 151.51 36.17 Favored Pre-proline 0 C--N 1.328 -0.368 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.392 -179.669 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 47.7 Cg_endo -67.97 -19.94 45.37 Favored 'Trans proline' 0 N--CA 1.496 1.64 0 C-N-CA 122.451 2.101 . . . . 0.0 112.105 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.503 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.1 mp -62.51 -42.05 99.25 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.524 -179.758 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 73.7 t -62.77 -47.61 92.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.891 0.376 . . . . 0.0 110.585 -179.841 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 93.6 t -65.56 -43.81 94.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.287 179.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.87 -40.63 96.06 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 115.981 -0.554 . . . . 0.0 110.586 -179.963 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.59 -49.4 72.86 Favored 'General case' 0 C--N 1.327 -0.38 0 C-N-CA 120.64 -0.424 . . . . 0.0 110.407 -179.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 50.9 m -62.06 -41.77 98.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.595 179.644 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.92 -42.25 95.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.669 -179.847 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.45 -44.56 98.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.605 -0.27 . . . . 0.0 110.892 -179.658 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.12 -51.78 41.94 Favored Glycine 0 CA--C 1.526 0.77 0 C-N-CA 120.679 -0.772 . . . . 0.0 111.38 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.82 -44.62 92.83 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.689 0.281 . . . . 0.0 111.256 -179.523 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -63.34 -44.44 94.86 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.316 -0.402 . . . . 0.0 110.637 -179.394 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.651 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.2 t60 -60.38 -40.79 92.15 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.071 179.776 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.61 HD21 ' ND1' ' C' ' 37' ' ' HIS . 12.1 mt -61.42 -39.33 90.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.074 -0.512 . . . . 0.0 111.097 -179.358 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.27 -44.33 99.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 C-N-CA 119.89 -0.724 . . . . 0.0 109.911 -179.34 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.45 HD22 ' N ' ' D' ' 40' ' ' LEU . 4.0 mm? -72.28 -43.33 64.41 Favored 'General case' 0 CA--C 1.54 0.558 0 C-N-CA 120.475 -0.49 . . . . 0.0 111.391 179.478 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 73.3 t90 -69.55 -42.98 73.85 Favored 'General case' 0 N--CA 1.468 0.434 0 N-CA-C 112.407 0.521 . . . . 0.0 112.407 -178.692 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.51 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.9 tt -63.88 -40.91 90.76 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.44 -0.504 . . . . 0.0 110.402 -179.186 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.556 HD13 ' O ' ' D' ' 43' ' ' LEU . 0.2 OUTLIER -61.82 -44.3 97.13 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.902 0.382 . . . . 0.0 110.235 -179.626 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 26.1 t70 -62.92 -42.16 99.7 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.649 -0.421 . . . . 0.0 110.385 179.877 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 66.0 ttp85 -78.83 -16.9 56.51 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.895 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.59 -42.68 99.71 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.876 0.369 . . . . 0.0 110.429 -179.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 91.1 m-85 -99.53 24.37 8.27 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.141 -179.553 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 5.7 p90 -45.17 161.11 0.04 OUTLIER 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.599 179.904 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 99.1 mttt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.011 -0.995 . . . . 0.0 110.518 -179.657 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 0.909 'BR ' ' HA3' ' C' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.381 -0.6 . . . . 0.0 109.381 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 56.41 41.74 28.51 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.659 179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -74.93 -7.41 53.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.591 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 41.8 t -61.46 -44.05 97.78 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.832 -179.913 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 32.2 t -82.61 92.18 7.09 Favored 'General case' 0 C--N 1.33 -0.281 0 N-CA-C 109.686 -0.486 . . . . 0.0 109.686 179.682 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 25.6 m-20 -70.02 151.03 96.21 Favored Pre-proline 0 C--N 1.326 -0.441 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.568 -179.37 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.8 Cg_exo -43.82 -29.48 2.49 Favored 'Trans proline' 0 N--CA 1.493 1.487 0 C-N-CA 122.201 1.934 . . . . 0.0 112.465 179.211 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.528 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.7 mp -61.55 -42.83 99.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.574 -179.2 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.3 t -63.58 -47.86 89.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-O 121.005 0.431 . . . . 0.0 110.503 179.982 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 84.1 t -64.57 -44.38 96.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 115.972 -0.558 . . . . 0.0 110.326 179.789 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.42 -40.12 95.49 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.462 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.49 -50.02 68.77 Favored 'General case' 0 C--N 1.327 -0.374 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.519 -179.837 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 39.0 t -62.91 -42.67 99.87 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.372 -0.377 . . . . 0.0 110.588 179.705 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.12 -42.4 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.642 -179.612 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 69.2 mt -60.38 -44.79 96.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.359 0 CA-C-N 116.531 -0.304 . . . . 0.0 110.815 -179.578 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.65 -51.91 38.2 Favored Glycine 0 CA--C 1.527 0.83 0 C-N-CA 120.591 -0.814 . . . . 0.0 111.381 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.28 -43.43 95.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-O 120.679 0.276 . . . . 0.0 111.237 -179.663 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.19 -46.38 90.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.112 -178.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.56 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.7 t60 -59.85 -40.1 87.43 Favored 'General case' 0 C--N 1.324 -0.542 0 C-N-CA 120.721 -0.391 . . . . 0.0 110.098 179.486 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.614 ' O ' HG22 ' A' ' 42' ' ' ILE . 9.2 mt -60.86 -39.19 88.2 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.089 -179.517 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.18 -44.54 99.19 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.477 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.103 -179.279 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.473 ' N ' HD12 ' A' ' 40' ' ' LEU . 11.1 mp -72.81 -44.66 61.21 Favored 'General case' 0 C--N 1.325 -0.48 0 C-N-CA 120.507 -0.477 . . . . 0.0 111.187 179.597 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 76.9 t90 -66.45 -46.44 76.41 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.499 -0.319 . . . . 0.0 111.504 -179.066 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.3 tt -65.9 -32.64 59.03 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.906 -0.318 . . . . 0.0 110.412 -179.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 43.1 tp -60.56 -45.99 91.85 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.317 -0.402 . . . . 0.0 110.502 -179.541 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.54 ' OD1' ' N ' ' A' ' 45' ' ' ARG . 2.2 p30 -64.92 -35.87 82.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 121.054 0.454 . . . . 0.0 110.371 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.54 ' N ' ' OD1' ' A' ' 44' ' ' ASP . 72.5 ttt180 -63.02 -36.48 83.71 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 115.892 -0.595 . . . . 0.0 110.817 -179.876 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.629 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.4 tt -59.72 -44.96 93.52 Favored 'General case' 0 CA--C 1.532 0.282 0 CA-C-O 120.904 0.383 . . . . 0.0 110.28 -178.726 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 71.4 m-85 -61.08 -42.78 99.14 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.799 -0.36 . . . . 0.0 110.408 179.625 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 54.0 p90 -152.35 156.12 38.96 Favored 'General case' 0 C--N 1.331 -0.198 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.537 179.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 C--O 1.22 -0.474 0 CA-C-O 117.99 -1.005 . . . . 0.0 110.526 179.973 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 14.5 m . . . . . 0 N--CA 1.491 1.575 0 N-CA-C 109.322 -0.622 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 12.2 t-20 56.5 41.67 28.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.589 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -74.96 -7.36 53.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.571 179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 41.2 t -61.61 -43.94 97.92 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 33.8 t -82.63 92.32 7.12 Favored 'General case' 0 C--N 1.328 -0.347 0 N-CA-C 109.673 -0.491 . . . . 0.0 109.673 179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -70.15 150.93 96.07 Favored Pre-proline 0 C--N 1.326 -0.444 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.578 -179.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -43.69 -29.62 2.41 Favored 'Trans proline' 0 N--CA 1.492 1.399 0 C-N-CA 122.303 2.002 . . . . 0.0 112.389 179.237 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.528 ' N ' HD12 ' B' ' 26' ' ' LEU . 10.7 mp -61.49 -42.78 99.32 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.527 -179.15 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 82.3 t -63.73 -47.69 89.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.967 0.413 . . . . 0.0 110.512 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 84.5 t -64.64 -44.31 96.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 115.954 -0.566 . . . . 0.0 110.348 179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.48 -39.96 95.12 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.523 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.6 -50.02 69.04 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.747 -0.381 . . . . 0.0 110.457 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 38.6 t -62.88 -42.74 99.88 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.851 0.358 . . . . 0.0 110.622 179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.13 -42.33 96.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.636 -179.591 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 69.5 mt -60.59 -44.74 97.44 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.995 -0.282 . . . . 0.0 110.707 -179.52 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.5 -51.95 38.67 Favored Glycine 0 CA--C 1.527 0.8 0 C-N-CA 120.664 -0.779 . . . . 0.0 111.463 -179.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.28 -43.51 95.14 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.73 0.3 . . . . 0.0 111.26 -179.714 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.17 -46.38 90.72 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-N 116.26 -0.427 . . . . 0.0 111.068 -178.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.556 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -59.9 -40.03 87.41 Favored 'General case' 0 C--N 1.323 -0.569 0 C-N-CA 120.714 -0.394 . . . . 0.0 110.047 179.607 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.621 ' O ' HG22 ' B' ' 42' ' ' ILE . 9.0 mt -60.72 -39.27 88.0 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.111 -179.604 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.1 -44.64 99.27 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.368 -0.533 . . . . 0.0 110.144 -179.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.468 ' N ' HD12 ' B' ' 40' ' ' LEU . 11.0 mp -72.88 -44.64 61.07 Favored 'General case' 0 C--N 1.327 -0.386 0 C-N-CA 120.454 -0.498 . . . . 0.0 111.138 179.709 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.414 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 77.0 t90 -66.17 -46.73 76.37 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.531 -179.165 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.621 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.3 tt -65.88 -32.51 58.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.383 0 CA-C-O 120.846 0.355 . . . . 0.0 110.487 -179.648 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.58 -45.89 92.26 Favored 'General case' 0 C--O 1.231 0.089 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.599 -179.617 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.541 ' OD1' ' N ' ' B' ' 45' ' ' ARG . 2.2 p30 -65.02 -35.8 82.35 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.457 -0.497 . . . . 0.0 110.266 -179.893 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.541 ' N ' ' OD1' ' B' ' 44' ' ' ASP . 72.6 ttt180 -62.97 -36.4 83.39 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.898 -179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.611 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.3 tt -59.75 -44.88 93.62 Favored 'General case' 0 CA--C 1.534 0.336 0 CA-C-O 120.864 0.364 . . . . 0.0 110.371 -178.757 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 71.6 m-85 -61.12 -42.86 99.3 Favored 'General case' 0 C--N 1.329 -0.292 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.368 179.614 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.404 ' O ' ' O ' ' B' ' 45' ' ' ARG . 54.1 p90 -152.26 156.03 38.89 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.521 179.794 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.978 -1.01 . . . . 0.0 110.483 179.916 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 14.8 m . . . . . 0 N--CA 1.49 1.531 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 12.3 t-20 56.53 41.65 28.35 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.608 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 96.9 m-20 -74.96 -7.36 53.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.609 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 41.1 t -61.56 -43.96 97.9 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.917 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 32.2 t -82.77 92.32 7.21 Favored 'General case' 0 C--N 1.33 -0.26 0 N-CA-C 109.715 -0.476 . . . . 0.0 109.715 179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 26.1 m-20 -69.96 151.03 96.29 Favored Pre-proline 0 CA--C 1.537 0.462 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.584 -179.374 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -43.82 -29.45 2.47 Favored 'Trans proline' 0 N--CA 1.492 1.409 0 C-N-CA 122.193 1.929 . . . . 0.0 112.516 179.152 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.534 ' N ' HD12 ' C' ' 26' ' ' LEU . 10.7 mp -61.69 -42.6 99.15 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.562 -179.122 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 83.3 t -63.75 -47.74 89.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.966 0.412 . . . . 0.0 110.505 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 83.5 t -64.71 -44.4 96.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.283 179.813 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.38 -39.99 95.02 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.551 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.08 68.74 Favored 'General case' 0 C--N 1.328 -0.349 0 C-N-CA 120.683 -0.407 . . . . 0.0 110.453 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 38.9 t -62.84 -42.72 99.85 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.632 179.724 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.11 -42.27 95.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.245 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.635 -179.641 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 69.0 mt -60.56 -44.7 97.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.822 -179.557 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.59 -52.02 37.64 Favored Glycine 0 CA--C 1.526 0.775 0 C-N-CA 120.729 -0.748 . . . . 0.0 111.337 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 96.9 mt -65.17 -43.55 95.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-O 120.735 0.302 . . . . 0.0 111.163 -179.574 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.5 tt -61.19 -46.41 90.58 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.314 -0.403 . . . . 0.0 111.059 -178.801 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.594 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -59.87 -40.05 87.35 Favored 'General case' 0 C--N 1.324 -0.501 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.078 179.537 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.622 ' O ' HG22 ' C' ' 42' ' ' ILE . 9.3 mt -60.85 -39.21 88.24 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.027 -179.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.23 -44.49 99.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 C-N-CA 120.272 -0.571 . . . . 0.0 110.175 -179.305 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.472 HD12 ' N ' ' C' ' 40' ' ' LEU . 11.1 mp -72.87 -44.81 60.89 Favored 'General case' 0 C--N 1.326 -0.422 0 C-N-CA 120.594 -0.442 . . . . 0.0 110.999 179.754 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 76.8 t90 -66.19 -46.57 76.84 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.452 -0.34 . . . . 0.0 111.504 -179.06 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.622 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.4 tt -65.88 -32.63 58.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 CA-C-N 116.495 -0.32 . . . . 0.0 110.374 -179.651 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 43.6 tp -60.58 -45.95 92.06 Favored 'General case' 0 C--N 1.332 -0.172 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.571 -179.569 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' C' ' 45' ' ' ARG . 2.2 p30 -65.0 -35.77 82.27 Favored 'General case' 0 C--N 1.33 -0.246 0 C-N-CA 120.467 -0.493 . . . . 0.0 110.426 -179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.526 ' N ' ' OD1' ' C' ' 44' ' ' ASP . 72.8 ttt180 -63.03 -36.45 83.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.916 -179.922 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.632 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.4 tt -59.68 -44.9 93.44 Favored 'General case' 0 CA--C 1.534 0.351 0 CA-C-O 120.871 0.367 . . . . 0.0 110.369 -178.795 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 71.2 m-85 -61.15 -42.82 99.24 Favored 'General case' 0 C--N 1.329 -0.315 0 C-N-CA 120.712 -0.395 . . . . 0.0 110.357 179.602 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.412 ' O ' ' O ' ' C' ' 45' ' ' ARG . 53.9 p90 -152.31 156.17 39.1 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.62 179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.102 -0.951 . . . . 0.0 110.454 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 14.7 m . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.329 -0.619 . . . . 0.0 109.329 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 12.1 t-20 56.46 41.61 28.56 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.56 -179.965 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 97.0 m-20 -74.99 -7.39 53.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.488 -179.931 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 41.2 t -61.52 -43.92 98.0 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.859 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 32.4 t -82.78 92.57 7.26 Favored 'General case' 0 C--N 1.329 -0.295 0 N-CA-C 109.672 -0.492 . . . . 0.0 109.672 179.634 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 25.4 m-20 -70.21 150.86 95.99 Favored Pre-proline 0 C--N 1.326 -0.439 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.529 -179.391 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 71.9 Cg_exo -43.67 -29.52 2.34 Favored 'Trans proline' 0 N--CA 1.492 1.438 0 C-N-CA 122.269 1.98 . . . . 0.0 112.453 179.169 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.533 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.7 mp -61.58 -42.85 99.45 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.368 -0.378 . . . . 0.0 110.547 -179.11 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 83.4 t -63.6 -47.68 90.24 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-O 120.977 0.418 . . . . 0.0 110.511 179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 82.3 t -64.74 -44.34 96.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.26 179.839 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.52 -40.03 95.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.481 -179.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.423 ' O ' 'BR ' ' C' ' 100' ' ' 3LW . . . -54.43 -50.03 68.59 Favored 'General case' 0 C--N 1.327 -0.379 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.573 -179.91 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 38.7 t -62.91 -42.62 99.85 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.752 179.608 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.16 -42.32 96.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.615 -179.686 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 69.6 mt -60.55 -44.75 97.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.835 -179.547 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . 0.596 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -66.51 -52.04 37.92 Favored Glycine 0 CA--C 1.529 0.919 0 C-N-CA 120.686 -0.769 . . . . 0.0 111.374 -179.852 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.13 -43.52 95.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-O 120.766 0.317 . . . . 0.0 111.254 -179.675 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.4 tt -61.17 -46.5 90.27 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.377 -0.374 . . . . 0.0 111.037 -178.841 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.532 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.7 t60 -60.0 -39.89 87.32 Favored 'General case' 0 C--N 1.322 -0.591 0 C-N-CA 120.722 -0.391 . . . . 0.0 110.101 179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.624 ' O ' HG22 ' D' ' 42' ' ' ILE . 8.9 mt -60.79 -39.26 88.25 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.064 -179.655 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.16 -44.44 99.07 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.481 0 C-N-CA 120.158 -0.617 . . . . 0.0 110.226 -179.304 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.47 ' N ' HD12 ' D' ' 40' ' ' LEU . 11.0 mp -72.96 -44.64 60.88 Favored 'General case' 0 CA--C 1.535 0.384 0 C-N-CA 120.469 -0.492 . . . . 0.0 110.979 179.72 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.416 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 77.4 t90 -66.14 -46.63 76.81 Favored 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.495 -0.32 . . . . 0.0 111.563 -179.114 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.624 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.3 tt -66.02 -32.55 58.61 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.415 -179.626 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 43.2 tp -60.56 -45.95 91.99 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.528 -179.588 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' D' ' 45' ' ' ARG . 2.2 p30 -65.0 -35.76 82.24 Favored 'General case' 0 C--N 1.329 -0.312 0 C-N-CA 120.451 -0.5 . . . . 0.0 110.332 -179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.532 ' N ' ' OD1' ' D' ' 44' ' ' ASP . 72.7 ttt180 -63.04 -36.54 83.9 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.99 -0.55 . . . . 0.0 110.796 -179.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.627 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.4 tt -59.73 -44.86 93.58 Favored 'General case' 0 CA--C 1.534 0.34 0 CA-C-N 116.498 -0.319 . . . . 0.0 110.258 -178.682 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 70.8 m-85 -61.15 -42.82 99.24 Favored 'General case' 0 C--N 1.329 -0.324 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.342 179.655 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' D' ' 45' ' ' ARG . 54.0 p90 -152.3 156.21 39.19 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.533 179.79 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 22.7 pttp . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 118.039 -0.981 . . . . 0.0 110.55 179.977 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 0.596 'BR ' ' HA3' ' D' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 68.6 m . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.251 -0.648 . . . . 0.0 109.251 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 96.6 m-20 -85.03 142.25 29.72 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.285 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 36.1 p30 -82.59 -1.6 51.29 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.289 -0.414 . . . . 0.0 110.557 -179.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -61.87 -43.87 97.97 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.707 179.85 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 13.0 m -83.67 94.34 8.1 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.055 0.455 . . . . 0.0 110.463 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -61.89 152.68 75.74 Favored Pre-proline 0 C--N 1.325 -0.463 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.55 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.0 Cg_exo -44.15 -36.11 8.49 Favored 'Trans proline' 0 N--CA 1.49 1.32 0 C-N-CA 122.427 2.085 . . . . 0.0 112.338 179.259 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.553 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.6 mp -62.29 -41.9 98.89 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.404 -179.678 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 83.0 t -62.81 -47.17 94.14 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-O 120.902 0.382 . . . . 0.0 110.53 -179.82 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.7 t -64.49 -44.38 96.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.417 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.65 -38.8 90.36 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.072 -0.513 . . . . 0.0 110.718 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.62 -49.46 67.79 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.574 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.0 p -64.46 -41.26 96.63 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.789 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 95.8 mt -63.74 -42.42 95.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.537 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.441 HG23 HD11 ' B' ' 38' ' ' LEU . 71.1 mt -61.13 -43.99 97.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.785 -179.618 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.85 -52.56 41.13 Favored Glycine 0 CA--C 1.525 0.695 0 N-CA-C 111.303 -0.719 . . . . 0.0 111.303 -179.543 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.39 -44.11 90.91 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.411 0 CA-C-O 120.691 0.282 . . . . 0.0 110.77 -179.813 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.0 tp -61.49 -46.84 88.32 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.215 -178.76 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.632 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.4 t60 -61.9 -39.02 90.54 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.49 -179.731 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.628 HD21 ' ND1' ' D' ' 37' ' ' HIS . 11.9 mt -61.45 -40.21 93.66 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.371 -179.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.66 -43.34 96.94 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.895 0 C-N-CA 120.546 -0.462 . . . . 0.0 110.08 -179.313 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.451 ' N ' HD22 ' A' ' 40' ' ' LEU . 4.2 mm? -73.39 -44.24 58.9 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-O 121.092 0.473 . . . . 0.0 111.227 179.785 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.409 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 75.5 t90 -67.89 -46.76 70.73 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.543 -179.076 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.614 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.5 tt -64.27 -34.52 69.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.69 0 CA-C-N 116.071 -0.513 . . . . 0.0 110.359 -179.309 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 47.3 tp -61.34 -42.8 99.29 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.331 -179.498 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.526 ' CG ' HH12 ' B' ' 45' ' ' ARG . 64.1 t0 -60.83 -43.2 98.56 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.427 -179.801 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.527 HH12 ' CG ' ' D' ' 44' ' ' ASP . 60.3 ttt85 -68.14 -20.78 64.92 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.629 179.727 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.607 HD23 ' O ' ' A' ' 46' ' ' LEU . 1.6 tt -61.87 -44.17 97.36 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.351 0.596 . . . . 0.0 110.291 -179.106 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -61.0 -42.18 97.93 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.749 -179.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' A' ' 45' ' ' ARG . 28.1 m-85 -89.4 128.97 35.98 Favored 'General case' 0 C--N 1.328 -0.37 0 CA-C-O 120.947 0.403 . . . . 0.0 110.392 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 61.3 tttp . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.542 179.883 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 67.7 m . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.331 -0.618 . . . . 0.0 109.331 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 96.2 m-20 -84.24 142.37 30.32 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.417 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 36.0 p30 -82.93 -1.61 52.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.525 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 12.0 t -62.01 -43.71 98.25 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.586 179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.9 m -83.99 94.39 8.28 Favored 'General case' 0 C--O 1.234 0.243 0 CA-C-O 121.041 0.448 . . . . 0.0 110.37 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.9 m-20 -61.93 152.71 75.89 Favored Pre-proline 0 C--N 1.325 -0.462 0 CA-C-N 115.809 -0.632 . . . . 0.0 110.61 -179.255 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 73.9 Cg_exo -43.94 -36.24 8.01 Favored 'Trans proline' 0 N--CA 1.49 1.299 0 C-N-CA 122.404 2.069 . . . . 0.0 112.409 179.165 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.549 ' N ' HD12 ' B' ' 26' ' ' LEU . 10.5 mp -62.14 -41.75 98.58 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.323 -0.399 . . . . 0.0 110.376 -179.692 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.3 t -63.12 -47.03 94.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.539 -179.78 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.5 t -64.51 -44.54 96.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.378 179.948 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.45 -38.5 90.03 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.601 -179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.11 -49.25 69.59 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 116.356 -0.384 . . . . 0.0 110.7 -179.748 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -64.73 -40.93 96.17 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.727 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 95.9 mt -63.99 -42.56 96.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.519 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.441 HG23 HD11 ' C' ' 38' ' ' LEU . 70.3 mt -60.94 -44.08 97.26 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.672 -179.579 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.57 -52.98 38.24 Favored Glycine 0 CA--C 1.524 0.65 0 C-N-CA 120.693 -0.765 . . . . 0.0 111.337 -179.599 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 98.0 mt -66.03 -44.25 92.19 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.812 0.339 . . . . 0.0 110.9 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.9 tp -61.23 -47.35 86.49 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.291 -0.413 . . . . 0.0 111.165 -178.749 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.6 t60 -61.28 -39.19 89.52 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.597 -179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.632 HD21 ' ND1' ' A' ' 37' ' ' HIS . 12.0 mt -61.27 -40.3 93.62 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.498 -179.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.6 -43.25 96.7 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 CA-C-O 121.11 0.481 . . . . 0.0 110.15 -179.332 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.458 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.2 mm? -73.6 -44.04 58.15 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.015 0.436 . . . . 0.0 111.174 179.792 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.8 t90 -67.99 -46.58 70.9 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.503 -179.052 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.616 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.8 tt -64.47 -34.25 68.26 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.68 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.28 -179.246 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 47.4 tp -61.69 -42.74 99.35 Favored 'General case' 0 N--CA 1.453 -0.316 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.299 -179.419 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.547 ' CG ' HH12 ' C' ' 45' ' ' ARG . 65.3 t0 -61.05 -42.61 98.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.459 -179.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.526 HH12 ' CG ' ' A' ' 44' ' ' ASP . 59.9 ttt85 -68.61 -21.04 64.52 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.589 179.588 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.612 HD23 ' O ' ' B' ' 46' ' ' LEU . 1.7 tt -61.61 -44.32 97.21 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 121.39 0.614 . . . . 0.0 110.274 -179.162 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -60.87 -42.16 97.34 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.816 -179.783 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.438 ' O ' ' O ' ' B' ' 45' ' ' ARG . 28.4 m-85 -89.35 129.35 35.9 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.382 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 61.5 tttp . . . . . 0 C--O 1.221 -0.42 0 CA-C-O 118.036 -0.983 . . . . 0.0 110.446 179.929 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 67.1 m . . . . . 0 N--CA 1.49 1.571 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 96.4 m-20 -84.13 142.13 30.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.437 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 36.9 p30 -82.92 -1.71 52.98 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.513 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -62.07 -43.19 99.38 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.571 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 13.0 m -84.41 94.6 8.54 Favored 'General case' 0 CA--C 1.52 -0.201 0 CA-C-O 121.034 0.445 . . . . 0.0 110.447 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 7.0 m-20 -62.1 152.96 76.3 Favored Pre-proline 0 C--N 1.325 -0.493 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.616 -179.298 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 72.6 Cg_exo -44.24 -36.11 8.74 Favored 'Trans proline' 0 N--CA 1.492 1.431 0 C-N-CA 122.342 2.028 . . . . 0.0 112.265 179.379 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.562 ' N ' HD12 ' C' ' 26' ' ' LEU . 10.4 mp -62.28 -41.71 98.72 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.455 -179.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.98 -47.23 93.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.934 0.397 . . . . 0.0 110.592 -179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 89.7 t -64.46 -44.56 97.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.373 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.46 -38.54 90.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.677 179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.02 -49.27 69.28 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.633 -179.779 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 78.4 p -64.48 -41.35 96.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.808 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.78 -42.46 95.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.438 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.666 ' CG2' 'BR ' ' C' ' 100' ' ' 3LW . 69.3 mt -60.88 -44.26 97.43 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.531 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.734 -179.561 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.49 -52.61 41.8 Favored Glycine 0 CA--C 1.523 0.579 0 C-N-CA 120.763 -0.732 . . . . 0.0 111.469 -179.608 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.9 mt -66.49 -44.15 90.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.713 0.292 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 55.7 tp -61.22 -47.16 87.37 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.927 0.394 . . . . 0.0 111.205 -178.801 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.631 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.4 t60 -61.65 -39.18 90.42 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.621 -179.752 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.613 ' O ' HG22 ' C' ' 42' ' ' ILE . 11.8 mt -61.31 -40.07 92.81 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.372 -179.27 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.9 mt -61.83 -43.33 97.18 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.786 0 CA-C-O 121.106 0.479 . . . . 0.0 110.217 -179.423 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.457 ' N ' HD22 ' C' ' 40' ' ' LEU . 4.2 mm? -73.45 -43.8 59.55 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-O 121.087 0.47 . . . . 0.0 111.186 179.808 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.407 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 75.9 t90 -68.31 -46.78 69.37 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.486 -179.093 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.613 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.7 tt -64.26 -34.17 67.33 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.757 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.236 -179.291 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 48.4 tp -61.68 -42.93 99.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.266 -179.462 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.522 ' CG ' HH12 ' D' ' 45' ' ' ARG . 66.1 t0 -60.82 -43.18 98.55 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.342 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.547 HH12 ' CG ' ' B' ' 44' ' ' ASP . 60.1 ttt85 -68.21 -20.86 64.87 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.566 179.701 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.618 HD23 ' O ' ' C' ' 46' ' ' LEU . 1.6 tt -61.66 -44.25 97.32 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 121.463 0.649 . . . . 0.0 110.318 -179.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 80.7 m-85 -61.13 -42.03 97.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.047 -0.524 . . . . 0.0 110.77 -179.799 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.435 ' O ' ' O ' ' C' ' 45' ' ' ARG . 28.4 m-85 -89.58 128.93 36.09 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.398 -0.364 . . . . 0.0 110.378 -179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 61.4 tttp . . . . . 0 C--N 1.327 -0.395 0 CA-C-O 117.953 -1.023 . . . . 0.0 110.494 179.939 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 65.3 m . . . . . 0 N--CA 1.491 1.606 0 N-CA-C 109.259 -0.645 . . . . 0.0 109.259 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 96.7 m-20 -84.81 142.15 29.98 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.458 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 36.3 p30 -82.5 -1.61 50.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.458 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -62.03 -43.64 98.4 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.69 179.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 11.6 m -84.12 94.4 8.34 Favored 'General case' 0 C--O 1.234 0.263 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.447 -179.764 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 6.6 m-20 -61.84 152.92 74.61 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.551 -179.181 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 74.7 Cg_exo -44.39 -35.89 8.96 Favored 'Trans proline' 0 N--CA 1.493 1.45 0 C-N-CA 122.308 2.006 . . . . 0.0 112.27 179.333 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.551 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.4 mp -62.5 -41.81 99.07 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.373 -179.653 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 88.3 t -62.89 -47.32 93.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.506 -179.768 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.1 t -64.59 -44.23 96.76 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.426 179.992 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -65.55 -38.4 89.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.711 179.904 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.29 -49.65 69.13 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.403 -0.362 . . . . 0.0 110.694 -179.722 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -63.99 -41.35 97.54 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.914 0.388 . . . . 0.0 110.783 179.863 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.1 mt -63.81 -42.6 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.474 179.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.461 HG23 HD11 ' A' ' 38' ' ' LEU . 69.1 mt -60.87 -44.04 96.92 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.538 0 CA-C-N 116.487 -0.324 . . . . 0.0 110.773 -179.586 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . 0.412 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -64.81 -52.51 41.7 Favored Glycine 0 CA--C 1.525 0.699 0 C-N-CA 120.667 -0.778 . . . . 0.0 111.374 -179.554 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -66.39 -44.3 90.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-O 120.801 0.334 . . . . 0.0 110.872 -179.821 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 56.2 tp -61.17 -47.37 86.49 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.124 -178.774 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.628 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -61.27 -39.49 90.58 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.456 -179.754 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.631 HD21 ' ND1' ' C' ' 37' ' ' HIS . 11.9 mt -61.08 -40.3 93.17 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.474 -179.213 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.0 mt -61.6 -43.41 96.96 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.92 0 CA-C-O 121.045 0.45 . . . . 0.0 110.08 -179.412 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.461 HD22 ' N ' ' D' ' 40' ' ' LEU . 4.2 mm? -73.39 -43.93 59.56 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-O 121.144 0.497 . . . . 0.0 111.226 179.79 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.412 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 75.6 t90 -68.09 -47.02 69.35 Favored 'General case' 0 C--N 1.322 -0.59 0 CA-C-N 115.869 -0.605 . . . . 0.0 111.451 -178.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.625 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.6 tt -64.14 -34.33 68.13 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.309 -179.265 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 48.8 tp -61.48 -42.95 99.57 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.0 -0.546 . . . . 0.0 110.412 -179.582 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.527 ' CG ' HH12 ' A' ' 45' ' ' ARG . 64.2 t0 -60.72 -43.29 98.02 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.394 -179.74 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.522 HH12 ' CG ' ' C' ' 44' ' ' ASP . 60.3 ttt85 -68.08 -20.7 64.97 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.659 179.704 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.604 HD23 ' O ' ' D' ' 46' ' ' LEU . 1.6 tt -61.76 -44.32 97.13 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.326 0.584 . . . . 0.0 110.291 -179.134 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 81.8 m-85 -60.93 -42.15 97.59 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.812 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' D' ' 45' ' ' ARG . 29.0 m-85 -89.39 129.08 35.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.427 -179.905 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 61.5 tttp . . . . . 0 C--O 1.221 -0.446 0 CA-C-O 118.081 -0.961 . . . . 0.0 110.491 179.991 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 0.666 'BR ' ' CG2' ' C' ' 33' ' ' ILE . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 76.9 p . . . . . 0 N--CA 1.491 1.596 0 N-CA-C 109.415 -0.587 . . . . 0.0 109.415 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.524 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 22.5 p30 -64.11 -35.29 80.27 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.528 179.927 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' A' ' 22' ' ' SER . 43.9 p-10 -63.83 -34.01 76.96 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.613 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.532 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 38.3 t -61.18 -43.39 98.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.875 -179.736 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 48.0 t -117.93 102.1 8.8 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.092 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.43 152.94 96.24 Favored Pre-proline 0 C--N 1.323 -0.549 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.674 -179.588 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -47.48 -36.11 23.26 Favored 'Trans proline' 0 N--CA 1.494 1.546 0 C-N-CA 122.255 1.97 . . . . 0.0 112.186 178.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 93.3 mt -62.21 -43.07 99.66 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.773 0.321 . . . . 0.0 110.635 -179.232 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 82.0 t -63.73 -48.59 85.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.382 0 CA-C-O 121.213 0.53 . . . . 0.0 110.465 179.734 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 81.9 t -62.81 -47.14 94.27 Favored 'Isoleucine or valine' 0 N--CA 1.453 -0.276 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.269 179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.04 -41.55 64.88 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.426 -179.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.38 79.49 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.789 -0.365 . . . . 0.0 110.511 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.2 m -61.31 -46.29 90.91 Favored 'General case' 0 C--N 1.33 -0.271 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.877 -179.997 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.511 ' N ' HD12 ' A' ' 32' ' ' ILE . 1.4 mp -66.76 -42.48 89.44 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.576 179.439 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 67.5 mt -58.32 -47.97 86.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.488 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.84 -178.705 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.3 -48.87 35.66 Favored Glycine 0 CA--C 1.524 0.604 0 C-N-CA 120.755 -0.736 . . . . 0.0 111.472 -179.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -64.13 -44.58 97.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.678 0.275 . . . . 0.0 110.913 -179.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.73 -44.69 95.56 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.952 -179.047 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.415 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -59.57 -41.07 89.33 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.29 -179.585 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.402 ' O ' ' CG1' ' A' ' 42' ' ' ILE . 18.7 mt -62.18 -40.2 95.24 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.0 -179.46 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 95.1 mt -59.23 -48.71 85.98 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.728 0 C-N-CA 120.113 -0.635 . . . . 0.0 110.662 -179.083 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.684 HD11 ' CZ ' ' B' ' 45' ' ' ARG . 52.7 tp -72.27 -44.3 63.02 Favored 'General case' 0 C--N 1.324 -0.506 0 C-N-CA 120.516 -0.474 . . . . 0.0 111.062 -179.723 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -64.44 -36.51 84.4 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.709 -179.181 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' A' ' 38' ' ' LEU . 2.8 mm -63.2 -43.52 98.83 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.48 0 N-CA-C 109.885 -0.413 . . . . 0.0 109.885 -179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 52.3 tp -60.58 -40.63 92.44 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.461 -179.002 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.415 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 67.6 t0 -60.18 -36.23 77.14 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.519 -179.628 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.622 ' CZ ' HD11 ' D' ' 40' ' ' LEU . 60.5 ttt85 -60.11 -42.51 94.85 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.593 -179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 9.0 mt -61.6 -44.56 96.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.919 0.39 . . . . 0.0 110.766 -179.439 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -69.33 -40.57 77.52 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.566 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.487 ' CE2' ' OXT' ' B' ' 49' ' ' LYS . 87.1 m-85 -128.94 130.76 47.16 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.458 -179.977 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 87.3 tttt . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.347 179.914 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 74.9 p . . . . . 0 N--CA 1.491 1.61 0 N-CA-C 109.405 -0.591 . . . . 0.0 109.405 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.53 ' OD1' ' N ' ' B' ' 21' ' ' ASP . 22.5 p30 -64.3 -35.51 81.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.484 -179.96 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.53 ' N ' ' OD1' ' B' ' 20' ' ' ASN . 43.3 p-10 -63.64 -33.93 76.72 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.607 -179.907 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.525 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 38.7 t -61.15 -43.62 98.59 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.8 -179.663 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 48.2 t -117.81 102.23 8.94 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-O 120.98 0.419 . . . . 0.0 110.111 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -69.42 153.15 96.08 Favored Pre-proline 0 C--N 1.323 -0.545 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.698 -179.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_exo -47.57 -36.13 23.94 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.201 1.934 . . . . 0.0 112.304 178.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.3 mt -62.25 -43.14 99.5 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.596 -179.217 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.0 t -64.08 -48.19 86.94 Favored 'Isoleucine or valine' 0 C--O 1.238 0.466 0 CA-C-O 121.177 0.513 . . . . 0.0 110.358 179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 78.8 t -62.96 -47.02 94.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.025 -0.534 . . . . 0.0 110.215 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -53.04 -41.93 65.25 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.358 -0.383 . . . . 0.0 110.578 -179.801 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.46 -42.56 78.39 Favored 'General case' 0 C--N 1.325 -0.472 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.589 179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 55.9 m -61.03 -46.15 91.91 Favored 'General case' 0 C--N 1.33 -0.277 0 C-N-CA 120.605 -0.438 . . . . 0.0 110.902 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.499 ' N ' HD12 ' B' ' 32' ' ' ILE . 1.4 mp -67.32 -42.14 87.27 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.188 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.452 179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 68.1 mt -58.49 -47.69 87.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 C-N-CA 120.573 -0.451 . . . . 0.0 110.746 -178.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 1.037 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -70.55 -48.84 34.03 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.456 -179.471 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.24 -44.55 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-O 120.735 0.302 . . . . 0.0 110.885 -179.278 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.76 -44.65 95.63 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.947 -179.003 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.433 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -59.63 -41.06 89.62 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.35 -179.603 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.415 HD21 ' ND1' ' A' ' 37' ' ' HIS . 18.6 mt -62.22 -40.07 94.89 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.084 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 93.1 mt -59.19 -48.78 85.73 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.673 0 C-N-CA 120.06 -0.656 . . . . 0.0 110.674 -179.164 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.672 HD11 ' CZ ' ' C' ' 45' ' ' ARG . 54.3 tp -72.4 -44.17 62.86 Favored 'General case' 0 C--N 1.324 -0.512 0 C-N-CA 120.455 -0.498 . . . . 0.0 111.042 -179.718 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -64.39 -36.56 84.56 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.722 -179.148 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.39 -43.58 98.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.539 0 N-CA-C 109.755 -0.461 . . . . 0.0 109.755 -179.87 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 53.2 tp -60.3 -40.67 91.33 Favored 'General case' 0 C--N 1.326 -0.441 0 C-N-CA 120.655 -0.418 . . . . 0.0 110.452 -179.082 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.429 ' O ' ' OD1' ' B' ' 44' ' ' ASP . 67.5 t0 -60.3 -36.28 77.53 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.423 -179.581 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.684 ' CZ ' HD11 ' A' ' 40' ' ' LEU . 60.6 ttt85 -60.19 -42.59 95.37 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.61 -179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 8.7 mt -61.38 -44.59 96.9 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.907 0.384 . . . . 0.0 110.759 -179.483 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 9.3 m-85 -69.29 -40.93 77.42 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.496 -179.904 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.516 ' CE2' ' OXT' ' C' ' 49' ' ' LYS . 87.4 m-85 -128.55 131.1 48.22 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.396 -179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . 0.487 ' OXT' ' CE2' ' A' ' 48' ' ' PHE . 87.2 tttt . . . . . 0 C--O 1.22 -0.477 0 CA-C-O 118.072 -0.966 . . . . 0.0 110.372 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 72.6 p . . . . . 0 N--CA 1.49 1.535 0 N-CA-C 109.462 -0.57 . . . . 0.0 109.462 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . 0.524 ' OD1' ' N ' ' C' ' 21' ' ' ASP . 22.5 p30 -64.29 -35.3 80.38 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.493 179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.532 ' OD1' ' N ' ' C' ' 22' ' ' SER . 44.3 p-10 -63.96 -33.68 76.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.578 -179.928 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . 0.532 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 39.0 t -61.29 -43.7 98.45 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.807 -179.798 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 46.5 t -117.83 101.89 8.66 Favored 'General case' 0 N--CA 1.464 0.258 0 CA-C-O 121.033 0.444 . . . . 0.0 110.076 -179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.11 153.32 96.16 Favored Pre-proline 0 C--N 1.325 -0.484 0 CA-C-N 115.976 -0.557 . . . . 0.0 110.682 -179.526 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -47.8 -36.21 25.74 Favored 'Trans proline' 0 N--CA 1.493 1.458 0 C-N-CA 122.295 1.997 . . . . 0.0 112.196 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.9 mt -62.17 -43.12 99.53 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.442 -0.345 . . . . 0.0 110.634 -179.223 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 73.3 t -63.8 -48.41 86.54 Favored 'Isoleucine or valine' 0 C--O 1.237 0.436 0 CA-C-O 121.102 0.477 . . . . 0.0 110.295 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 80.1 t -62.93 -47.68 91.66 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.168 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.37 -41.72 63.35 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.49 -179.776 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.66 -42.64 79.32 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.782 -0.367 . . . . 0.0 110.537 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 56.8 m -61.03 -46.14 91.94 Favored 'General case' 0 C--N 1.331 -0.225 0 C-N-CA 120.54 -0.464 . . . . 0.0 110.991 179.975 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.5 ' N ' HD12 ' C' ' 32' ' ' ILE . 1.4 mp -67.04 -42.35 88.41 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.187 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.471 179.548 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.43 -47.81 86.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.493 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.828 -178.795 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.43 -48.78 35.21 Favored Glycine 0 CA--C 1.523 0.588 0 C-N-CA 120.707 -0.758 . . . . 0.0 111.48 -179.536 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.26 -44.66 97.41 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.637 0.256 . . . . 0.0 111.012 -179.394 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.2 tp -62.61 -44.8 95.39 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.854 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.434 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.7 t60 -59.41 -41.12 88.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.425 -179.717 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.433 HD21 ' ND1' ' B' ' 37' ' ' HIS . 18.7 mt -62.11 -40.33 95.5 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.03 -179.469 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 92.7 mt -59.13 -48.84 85.44 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 C-N-CA 120.128 -0.629 . . . . 0.0 110.551 -178.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.673 HD11 ' CZ ' ' D' ' 45' ' ' ARG . 53.9 tp -72.15 -44.55 62.93 Favored 'General case' 0 C--N 1.325 -0.491 0 C-N-CA 120.497 -0.481 . . . . 0.0 111.019 -179.704 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 76.9 t90 -63.98 -36.76 85.02 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.804 -179.175 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.25 -43.57 98.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.47 0 CA-C-N 116.188 -0.46 . . . . 0.0 109.804 -179.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 52.9 tp -60.44 -40.63 91.8 Favored 'General case' 0 C--N 1.325 -0.459 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.319 -179.055 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.421 ' O ' ' OD1' ' C' ' 44' ' ' ASP . 67.3 t0 -60.11 -36.29 77.12 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.542 -179.63 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.672 ' CZ ' HD11 ' B' ' 40' ' ' LEU . 60.6 ttt85 -60.32 -42.48 95.67 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.672 -179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 8.8 mt -61.57 -44.47 96.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.407 -0.361 . . . . 0.0 110.695 -179.502 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 9.5 m-85 -69.25 -40.77 77.68 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.477 -179.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.443 ' CE2' ' OXT' ' D' ' 49' ' ' LYS . 87.7 m-85 -128.87 131.1 47.63 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.431 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . 0.516 ' OXT' ' CE2' ' B' ' 48' ' ' PHE . 87.3 tttt . . . . . 0 C--O 1.22 -0.461 0 CA-C-O 118.058 -0.972 . . . . 0.0 110.33 179.927 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 78.2 p . . . . . 0 N--CA 1.49 1.54 0 N-CA-C 109.389 -0.597 . . . . 0.0 109.389 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . 0.517 ' OD1' ' N ' ' D' ' 21' ' ' ASP . 22.6 p30 -63.89 -35.59 81.14 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.575 179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . 0.522 ' OD1' ' N ' ' D' ' 22' ' ' SER . 43.6 p-10 -63.67 -33.82 76.47 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.54 -179.934 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . 0.522 ' N ' ' OD1' ' D' ' 21' ' ' ASP . 39.1 t -61.18 -43.53 98.74 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.914 -179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 48.5 t -117.99 102.16 8.84 Favored 'General case' 0 N--CA 1.466 0.338 0 CA-C-O 120.984 0.421 . . . . 0.0 110.104 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -69.29 153.02 96.31 Favored Pre-proline 0 C--N 1.324 -0.509 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.711 -179.572 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 74.9 Cg_exo -47.53 -36.02 23.41 Favored 'Trans proline' 0 N--CA 1.494 1.549 0 C-N-CA 122.269 1.979 . . . . 0.0 112.249 178.903 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 93.1 mt -62.29 -43.33 99.08 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.613 -179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 81.1 t -63.82 -48.44 86.35 Favored 'Isoleucine or valine' 0 C--O 1.236 0.38 0 CA-C-O 121.099 0.476 . . . . 0.0 110.447 179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 78.6 t -62.79 -47.34 93.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.365 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.2 179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -52.94 -41.33 64.38 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.49 -179.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.04 -42.46 80.53 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.77 -0.372 . . . . 0.0 110.56 -179.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 53.5 m -61.0 -46.09 92.18 Favored 'General case' 0 C--N 1.33 -0.265 0 C-N-CA 120.691 -0.404 . . . . 0.0 110.884 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.516 ' N ' HD12 ' D' ' 32' ' ' ILE . 1.4 mp -67.21 -42.17 87.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.582 179.547 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 67.4 mt -58.56 -47.45 88.46 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 C-N-CA 120.484 -0.486 . . . . 0.0 110.93 -178.855 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.73 -48.64 33.8 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 120.636 -0.793 . . . . 0.0 111.478 -179.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -64.38 -44.65 97.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.682 0.277 . . . . 0.0 110.892 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.74 -44.7 95.53 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.925 -178.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.407 ' CD2' ' C ' ' D' ' 37' ' ' HIS . 7.5 t60 -59.43 -41.21 89.06 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.401 -179.715 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.434 HD21 ' ND1' ' C' ' 37' ' ' HIS . 18.4 mt -62.03 -40.1 94.57 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.03 -0.532 . . . . 0.0 111.182 -179.536 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 93.7 mt -59.21 -48.7 85.99 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.703 0 C-N-CA 120.163 -0.615 . . . . 0.0 110.612 -179.099 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.622 HD11 ' CZ ' ' A' ' 45' ' ' ARG . 52.9 tp -72.45 -44.28 62.58 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.557 -0.457 . . . . 0.0 111.032 -179.693 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 76.8 t90 -64.29 -36.67 84.86 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.78 -179.149 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -63.19 -43.9 99.04 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-N 116.153 -0.476 . . . . 0.0 109.847 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 52.7 tp -60.21 -40.52 90.4 Favored 'General case' 0 C--N 1.325 -0.464 0 C-N-CA 120.588 -0.445 . . . . 0.0 110.451 -179.07 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.425 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 67.6 t0 -60.3 -36.2 77.35 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.458 -179.627 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.673 ' CZ ' HD11 ' C' ' 40' ' ' LEU . 60.6 ttt85 -60.21 -42.6 95.49 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.351 -0.386 . . . . 0.0 110.628 -179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 8.8 mt -61.58 -44.38 97.12 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.365 -0.379 . . . . 0.0 110.628 -179.457 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 9.4 m-85 -69.39 -40.72 77.22 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.497 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.431 ' O ' ' O ' ' D' ' 45' ' ' ARG . 86.6 m-85 -128.83 131.22 47.7 Favored 'General case' 0 N--CA 1.463 0.202 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.411 179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . 0.443 ' OXT' ' CE2' ' C' ' 48' ' ' PHE . 87.4 tttt . . . . . 0 C--O 1.22 -0.465 0 CA-C-O 117.983 -1.008 . . . . 0.0 110.388 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 1.037 'BR ' ' HA3' ' B' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 19.9 p . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.376 -0.601 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' A' ' 21' ' ' ASP . 40.3 p30 -65.59 -28.44 69.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.579 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.532 ' N ' ' OD1' ' A' ' 20' ' ' ASN . 99.3 m-20 -62.5 -42.81 99.75 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.654 179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 36.9 t -62.13 -43.08 99.62 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.448 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.4 t 44.77 91.43 0.01 OUTLIER 'General case' 0 C--N 1.332 -0.166 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.312 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.6 m-20 -50.45 148.79 6.24 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.343 -0.39 . . . . 0.0 110.608 -179.319 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -68.68 -17.1 42.75 Favored 'Trans proline' 0 N--CA 1.495 1.614 0 C-N-CA 122.463 2.109 . . . . 0.0 111.958 179.84 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.529 ' N ' HD12 ' A' ' 26' ' ' LEU . 9.0 mp -62.1 -43.27 99.2 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.435 -0.348 . . . . 0.0 110.616 -179.411 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 89.9 t -64.49 -48.95 82.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.919 0.39 . . . . 0.0 110.732 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 95.2 t -65.33 -44.18 94.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.004 -0.544 . . . . 0.0 110.364 179.997 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.66 -39.81 95.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.483 179.996 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.65 -49.91 69.45 Favored 'General case' 0 C--N 1.326 -0.423 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.291 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.7 t -62.32 -42.99 99.83 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.319 -0.401 . . . . 0.0 110.784 179.45 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.03 -42.36 96.37 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.739 -179.602 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.485 HG23 HD11 ' B' ' 38' ' ' LEU . 75.3 mt -61.14 -44.4 98.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.91 -179.693 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.47 -52.5 39.09 Favored Glycine 0 CA--C 1.527 0.819 0 C-N-CA 120.565 -0.826 . . . . 0.0 111.377 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.83 -44.37 92.88 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.232 0 CA-C-O 120.704 0.288 . . . . 0.0 111.298 -179.604 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -63.15 -45.88 89.81 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.887 0.375 . . . . 0.0 110.695 -179.327 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.621 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.9 t60 -60.15 -40.48 90.01 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.232 179.753 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' D' ' 37' ' ' HIS . 11.1 mt -60.52 -40.07 90.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.171 -179.063 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -62.46 -44.81 99.64 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.568 0 C-N-CA 120.295 -0.562 . . . . 0.0 110.0 -179.089 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.448 ' N ' HD22 ' A' ' 40' ' ' LEU . 4.1 mm? -70.51 -43.49 69.55 Favored 'General case' 0 C--N 1.33 -0.247 0 C-N-CA 120.769 -0.373 . . . . 0.0 111.173 179.443 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.418 ' CH2' ' NH1' ' A' ' 45' ' ' ARG . 73.5 t90 -69.27 -46.91 66.07 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.567 -0.288 . . . . 0.0 111.693 -179.12 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.531 HG22 ' O ' ' A' ' 38' ' ' LEU . 15.1 tt -65.2 -40.79 89.87 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.194 -179.662 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.413 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 49.4 tp -62.73 -40.88 98.6 Favored 'General case' 0 C--N 1.331 -0.231 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.524 179.871 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -56.4 -45.84 80.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.411 -179.682 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' A' ' 48' ' ' PHE . 82.6 mtp180 -64.41 -20.86 66.42 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.373 -0.376 . . . . 0.0 110.685 179.779 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.63 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.5 tt -61.49 -45.52 93.9 Favored 'General case' 0 CA--C 1.534 0.329 0 CA-C-O 120.886 0.374 . . . . 0.0 110.149 -179.3 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -62.29 -45.17 94.45 Favored 'General case' 0 C--N 1.331 -0.221 0 CA-C-N 116.497 -0.319 . . . . 0.0 110.74 179.743 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' A' ' 45' ' ' ARG . 97.0 m-85 -130.77 135.8 48.11 Favored 'General case' 0 N--CA 1.467 0.398 0 CA-C-N 116.322 -0.399 . . . . 0.0 110.495 179.868 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.219 -0.51 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.592 -179.867 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 20.3 p . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.433 -0.58 . . . . 0.0 109.433 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.532 ' OD1' ' N ' ' B' ' 21' ' ' ASP . 40.2 p30 -65.52 -28.49 69.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.608 179.979 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.532 ' N ' ' OD1' ' B' ' 20' ' ' ASN . 99.4 m-20 -62.51 -42.78 99.73 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.662 179.936 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 36.9 t -62.1 -43.1 99.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.454 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 2.3 t 44.77 91.56 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.191 -179.835 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -50.5 148.79 6.34 Favored Pre-proline 0 CA--C 1.534 0.345 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.574 -179.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -68.65 -17.09 42.9 Favored 'Trans proline' 0 N--CA 1.497 1.692 0 C-N-CA 122.477 2.118 . . . . 0.0 112.001 179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.529 ' N ' HD12 ' B' ' 26' ' ' LEU . 9.1 mp -62.11 -43.3 99.14 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.591 -179.404 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.5 -48.75 83.72 Favored 'Isoleucine or valine' 0 C--O 1.233 0.236 0 CA-C-O 120.982 0.42 . . . . 0.0 110.782 -179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.9 t -65.45 -44.09 94.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.381 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.77 -39.9 95.63 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.985 -0.552 . . . . 0.0 110.363 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.48 -50.03 68.72 Favored 'General case' 0 C--N 1.328 -0.332 0 C-N-CA 120.708 -0.397 . . . . 0.0 110.332 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -62.38 -42.91 99.79 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.797 179.509 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.06 -42.37 96.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.186 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.72 -179.628 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.454 HG23 HD11 ' C' ' 38' ' ' LEU . 75.2 mt -61.1 -44.47 98.36 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.439 0 C-N-CA 120.861 -0.336 . . . . 0.0 110.832 -179.679 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.61 -52.42 39.21 Favored Glycine 0 CA--C 1.528 0.866 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.281 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.75 -44.6 93.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-O 120.664 0.268 . . . . 0.0 111.158 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.93 -45.98 89.94 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.708 -179.301 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.611 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -60.23 -40.39 90.02 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.265 179.761 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.621 HD21 ' ND1' ' A' ' 37' ' ' HIS . 11.1 mt -60.59 -40.02 90.22 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 -179.079 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.38 -44.83 99.63 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 C-N-CA 120.255 -0.578 . . . . 0.0 110.102 -179.282 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.439 HD22 ' N ' ' B' ' 40' ' ' LEU . 4.1 mm? -70.56 -43.66 69.02 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.875 -0.33 . . . . 0.0 111.231 179.427 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.42 ' CH2' ' NH1' ' B' ' 45' ' ' ARG . 73.5 t90 -68.99 -47.1 66.38 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-N 116.58 -0.282 . . . . 0.0 111.635 -179.292 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.531 HG22 ' O ' ' B' ' 38' ' ' LEU . 15.1 tt -65.04 -40.92 90.6 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.405 0 C-N-CA 120.776 -0.37 . . . . 0.0 110.28 -179.633 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.414 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 49.0 tp -62.77 -40.89 98.67 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.428 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 68.0 t0 -56.72 -45.42 81.92 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.369 -179.493 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.436 ' O ' ' O ' ' B' ' 48' ' ' PHE . 82.4 mtp180 -64.57 -20.9 66.52 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.69 179.702 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.622 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.4 tt -61.47 -45.52 93.93 Favored 'General case' 0 CA--C 1.533 0.322 0 CA-C-O 120.89 0.376 . . . . 0.0 110.137 -179.314 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -62.22 -45.2 94.41 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.839 0.352 . . . . 0.0 110.788 179.751 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.436 ' O ' ' O ' ' B' ' 45' ' ' ARG . 97.0 m-85 -130.79 135.79 48.08 Favored 'General case' 0 N--CA 1.466 0.335 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.505 179.86 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.22 -0.485 0 CA-C-O 117.981 -1.009 . . . . 0.0 110.535 -179.889 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 19.9 p . . . . . 0 N--CA 1.491 1.604 0 N-CA-C 109.34 -0.615 . . . . 0.0 109.34 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . 0.531 ' OD1' ' N ' ' C' ' 21' ' ' ASP . 40.2 p30 -65.56 -28.43 69.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.562 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.531 ' N ' ' OD1' ' C' ' 20' ' ' ASN . 99.3 m-20 -62.57 -42.71 99.72 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.632 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 37.1 t -62.13 -43.2 99.36 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.407 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 2.4 t 44.86 91.46 0.01 OUTLIER 'General case' 0 C--N 1.333 -0.144 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.216 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 8.5 m-20 -50.37 148.72 6.19 Favored Pre-proline 0 CA--C 1.535 0.388 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.601 -179.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -68.63 -17.24 42.98 Favored 'Trans proline' 0 N--CA 1.495 1.613 0 C-N-CA 122.394 2.063 . . . . 0.0 111.98 179.843 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.534 ' N ' HD12 ' C' ' 26' ' ' LEU . 9.0 mp -61.92 -43.35 99.01 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.624 -179.441 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.56 -48.75 83.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.945 0.402 . . . . 0.0 110.732 -179.905 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.4 t -65.42 -44.17 94.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.405 179.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.59 -39.96 95.38 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.453 179.976 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.54 -50.13 68.64 Favored 'General case' 0 C--N 1.329 -0.32 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.222 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -62.22 -42.99 99.81 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.803 179.54 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -62.85 -42.55 96.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.833 -179.727 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.443 HG23 HD11 ' D' ' 38' ' ' LEU . 75.7 mt -61.12 -44.39 98.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.82 -0.352 . . . . 0.0 110.821 -179.641 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . 0.902 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -65.42 -52.6 38.45 Favored Glycine 0 CA--C 1.528 0.89 0 C-N-CA 120.697 -0.763 . . . . 0.0 111.353 -179.89 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.81 -44.51 92.91 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.276 0 CA-C-O 120.677 0.275 . . . . 0.0 111.197 -179.567 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.1 tp -62.99 -46.04 89.58 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 120.9 0.381 . . . . 0.0 110.75 -179.338 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -60.12 -40.32 89.32 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.236 179.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.611 HD21 ' ND1' ' B' ' 37' ' ' HIS . 11.0 mt -60.59 -40.06 90.36 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.241 -179.139 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.33 -45.0 99.8 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.591 0 C-N-CA 120.286 -0.566 . . . . 0.0 109.987 -179.176 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.45 ' N ' HD22 ' C' ' 40' ' ' LEU . 4.1 mm? -70.46 -43.37 69.98 Favored 'General case' 0 CA--C 1.532 0.288 0 CA-C-N 116.339 -0.391 . . . . 0.0 111.205 179.496 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.41 ' CH2' ' NH1' ' C' ' 45' ' ' ARG . 73.3 t90 -69.29 -47.04 65.72 Favored 'General case' 0 C--O 1.232 0.181 0 N-CA-C 111.709 0.262 . . . . 0.0 111.709 -179.218 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.537 HG22 ' O ' ' C' ' 38' ' ' LEU . 15.1 tt -65.0 -40.85 90.46 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-O 120.928 0.394 . . . . 0.0 110.303 -179.755 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.403 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 48.5 tp -62.79 -40.86 98.62 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.457 179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -56.68 -45.59 81.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.357 -179.466 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.434 ' O ' ' O ' ' C' ' 48' ' ' PHE . 82.5 mtp180 -64.52 -20.87 66.48 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.665 179.736 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.629 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.5 tt -61.43 -45.61 93.57 Favored 'General case' 0 CA--C 1.534 0.334 0 CA-C-O 120.92 0.391 . . . . 0.0 110.158 -179.337 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 76.2 m-85 -62.18 -45.15 94.7 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.448 -0.342 . . . . 0.0 110.804 179.724 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' C' ' 45' ' ' ARG . 97.0 m-85 -130.94 135.8 47.99 Favored 'General case' 0 N--CA 1.466 0.354 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.414 179.876 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 99.2 mttt . . . . . 0 C--O 1.221 -0.443 0 CA-C-O 118.018 -0.991 . . . . 0.0 110.526 -179.869 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 19.9 p . . . . . 0 N--CA 1.488 1.474 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . 0.533 ' OD1' ' N ' ' D' ' 21' ' ' ASP . 40.5 p30 -65.4 -28.54 69.33 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.599 179.946 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . 0.533 ' N ' ' OD1' ' D' ' 20' ' ' ASN . 99.4 m-20 -62.55 -42.69 99.7 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.565 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 37.1 t -62.16 -43.22 99.31 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.391 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 2.4 t 44.85 91.38 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.211 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.32 -179.758 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 8.4 m-20 -50.43 148.78 6.22 Favored Pre-proline 0 CA--C 1.534 0.353 0 CA-C-N 116.367 -0.379 . . . . 0.0 110.629 -179.295 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 52.6 Cg_endo -68.67 -17.13 42.81 Favored 'Trans proline' 0 N--CA 1.497 1.685 0 C-N-CA 122.418 2.079 . . . . 0.0 111.959 179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.537 ' N ' HD12 ' D' ' 26' ' ' LEU . 9.1 mp -62.1 -43.26 99.22 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.524 -0.307 . . . . 0.0 110.564 -179.388 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 91.1 t -64.43 -48.94 83.03 Favored 'Isoleucine or valine' 0 C--O 1.234 0.275 0 CA-C-O 120.94 0.4 . . . . 0.0 110.701 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 95.3 t -65.36 -44.25 94.7 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.35 -179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -39.92 95.32 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.457 -179.963 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.61 -49.94 69.26 Favored 'General case' 0 C--N 1.326 -0.43 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.244 -179.91 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 11.8 t -62.4 -42.98 99.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.722 179.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.09 -42.34 96.24 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.235 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.704 -179.574 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.463 HG23 HD11 ' A' ' 38' ' ' LEU . 75.0 mt -60.97 -44.52 98.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 C-N-CA 120.895 -0.322 . . . . 0.0 110.912 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.52 -52.43 39.49 Favored Glycine 0 CA--C 1.526 0.747 0 C-N-CA 120.552 -0.832 . . . . 0.0 111.316 -179.773 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.87 -44.5 92.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-O 120.656 0.265 . . . . 0.0 111.212 -179.564 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.2 tp -62.92 -46.02 89.76 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.809 0.338 . . . . 0.0 110.726 -179.411 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -60.25 -40.46 90.38 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.233 179.792 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' C' ' 37' ' ' HIS . 11.3 mt -60.41 -40.0 89.43 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.163 -179.134 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -62.55 -44.82 99.69 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 C-N-CA 120.29 -0.564 . . . . 0.0 110.084 -179.204 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.439 HD22 ' N ' ' D' ' 40' ' ' LEU . 4.1 mm? -70.38 -43.57 69.82 Favored 'General case' 0 C--N 1.33 -0.274 0 C-N-CA 120.81 -0.356 . . . . 0.0 111.218 179.38 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.421 ' CH2' ' NH1' ' D' ' 45' ' ' ARG . 73.5 t90 -69.24 -46.97 66.02 Favored 'General case' 0 C--O 1.234 0.258 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.768 -179.189 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.538 HG22 ' O ' ' D' ' 38' ' ' LEU . 15.1 tt -64.99 -40.92 90.69 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.919 0.39 . . . . 0.0 110.302 -179.75 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 49.5 tp -62.68 -40.84 98.35 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.561 179.885 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 68.1 t0 -56.81 -45.36 82.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.356 -179.464 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' D' ' 48' ' ' PHE . 82.4 mtp180 -64.63 -20.87 66.53 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.663 179.665 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.614 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.5 tt -61.39 -45.51 94.07 Favored 'General case' 0 CA--C 1.534 0.358 0 CA-C-O 120.974 0.416 . . . . 0.0 110.147 -179.298 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 76.0 m-85 -62.4 -45.02 95.02 Favored 'General case' 0 C--O 1.232 0.18 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.708 179.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.429 ' O ' ' O ' ' D' ' 45' ' ' ARG . 97.0 m-85 -130.89 135.68 47.91 Favored 'General case' 0 N--CA 1.466 0.363 0 CA-C-N 116.399 -0.364 . . . . 0.0 110.457 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 99.3 mttt . . . . . 0 C--O 1.22 -0.453 0 CA-C-O 118.018 -0.992 . . . . 0.0 110.565 -179.92 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 0.902 'BR ' ' HA3' ' C' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 45.9 t . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.392 -0.595 . . . . 0.0 109.392 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 19.0 t-20 -64.41 -40.84 96.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.643 179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -63.33 -42.63 98.97 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.518 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 38.8 t -60.55 -43.83 96.8 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.556 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 97.3 p -71.42 88.6 0.9 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.472 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' A' ' 26' ' ' LEU . 0.8 OUTLIER -61.48 150.87 79.43 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.623 -179.323 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 72.3 Cg_exo -40.41 -22.9 0.12 Allowed 'Trans proline' 0 C--N 1.315 -1.199 0 C-N-CA 122.449 2.1 . . . . 0.0 112.35 179.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.539 HD22 ' N ' ' A' ' 26' ' ' LEU . 3.9 mm? -62.2 -43.08 99.64 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.65 -179.346 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 81.6 t -63.52 -48.86 85.01 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.663 -179.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 89.1 t -66.35 -45.08 90.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.549 -179.815 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.58 -44.39 85.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.631 -179.505 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.77 -47.66 79.64 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.476 -0.329 . . . . 0.0 110.872 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.3 p -63.09 -39.97 96.27 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.809 -179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 91.8 mt -63.94 -43.32 97.67 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.623 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 80.8 mt -57.47 -44.27 84.39 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.754 0 C-N-CA 120.786 -0.365 . . . . 0.0 110.786 -178.893 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.6 -46.45 47.26 Favored Glycine 0 CA--C 1.525 0.667 0 C-N-CA 120.913 -0.66 . . . . 0.0 111.659 -179.554 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.99 -50.75 78.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.76 0.314 . . . . 0.0 111.196 -179.132 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.24 -43.07 99.09 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-N 116.352 -0.386 . . . . 0.0 111.234 -179.444 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.609 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -60.28 -40.44 90.42 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-N 116.014 -0.539 . . . . 0.0 110.416 -179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.662 HD21 ' ND1' ' D' ' 37' ' ' HIS . 12.9 mt -61.25 -40.11 92.83 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.295 -0.411 . . . . 0.0 111.085 -179.318 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -61.07 -44.87 99.15 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.952 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.284 -179.28 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 93.8 mt -72.74 -44.16 62.01 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.04 0.448 . . . . 0.0 110.805 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -65.43 -36.01 82.65 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.702 -0.681 . . . . 0.0 110.813 -179.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mm -63.65 -44.67 98.57 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.804 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.463 -179.581 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 73.0 mt -61.98 -41.14 97.69 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.575 -179.075 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 62.4 t0 -58.13 -45.69 86.9 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.555 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.442 ' O ' ' O ' ' A' ' 48' ' ' PHE . 72.6 ttt180 -65.56 -23.2 66.8 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.876 0.369 . . . . 0.0 110.516 -179.753 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.642 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.2 tt -63.11 -45.2 93.14 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 121.13 0.49 . . . . 0.0 110.384 -179.373 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 88.3 m-85 -60.76 -44.96 96.08 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.711 -179.582 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' A' ' 45' ' ' ARG . 96.6 m-85 -126.56 130.76 51.18 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.478 179.885 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--O 1.22 -0.483 0 CA-C-O 118.021 -0.99 . . . . 0.0 110.353 -179.97 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.5 t . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.315 -0.624 . . . . 0.0 109.315 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 18.7 t-20 -64.58 -40.86 96.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.619 179.877 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -63.42 -42.79 98.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.495 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 40.4 t -60.45 -43.78 96.51 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.54 -179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 92.3 p -71.37 88.24 0.87 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.625 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.449 ' O ' ' N ' ' B' ' 26' ' ' LEU . 0.8 OUTLIER -61.08 150.97 77.02 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.683 -179.302 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_exo -40.61 -23.11 0.13 Allowed 'Trans proline' 0 C--N 1.314 -1.275 0 C-N-CA 122.632 2.221 . . . . 0.0 112.184 179.255 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.533 ' N ' HD22 ' B' ' 26' ' ' LEU . 3.9 mm? -61.93 -42.9 99.63 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.702 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 82.8 t -63.55 -48.73 85.59 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.652 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.6 t -66.69 -44.75 89.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.052 -0.522 . . . . 0.0 110.648 -179.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -58.04 -44.09 87.21 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.707 -179.53 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . 0.412 ' O ' 'BR ' ' C' ' 100' ' ' 3LW . . . -56.81 -47.6 79.9 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.797 -179.847 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 78.0 p -63.28 -40.35 97.12 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 89.4 mt -63.61 -43.68 98.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.413 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 80.4 mt -57.09 -44.51 83.23 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.765 0 C-N-CA 120.751 -0.38 . . . . 0.0 110.855 -178.954 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.671 ' CA ' 'BR ' ' C' ' 100' ' ' 3LW . . . -70.2 -46.51 49.93 Favored Glycine 0 CA--C 1.524 0.639 0 C-N-CA 120.859 -0.686 . . . . 0.0 111.643 -179.564 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -63.16 -50.22 80.09 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-O 120.841 0.353 . . . . 0.0 111.293 -179.048 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.8 -42.61 97.69 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-N 116.342 -0.39 . . . . 0.0 111.206 -179.421 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.644 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.3 t60 -60.72 -40.51 92.62 Favored 'General case' 0 C--N 1.316 -0.853 0 CA-C-N 115.974 -0.557 . . . . 0.0 110.274 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.609 HD21 ' ND1' ' A' ' 37' ' ' HIS . 12.9 mt -61.04 -40.18 92.64 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.306 -0.406 . . . . 0.0 111.051 -179.41 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.25 -44.89 99.25 Favored 'Isoleucine or valine' 0 C--N 1.313 -1.019 0 C-N-CA 120.407 -0.517 . . . . 0.0 110.233 -179.188 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 95.6 mt -72.87 -44.22 61.61 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.032 0.444 . . . . 0.0 110.796 -179.92 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 74.5 t90 -65.43 -35.56 81.3 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.72 -179.743 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mm -63.93 -44.72 98.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.39 -179.598 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 74.4 mt -61.97 -41.13 97.67 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.601 -179.045 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 63.9 t0 -58.14 -45.65 87.0 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.566 -179.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' B' ' 48' ' ' PHE . 72.7 ttt180 -65.44 -23.71 67.0 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.91 0.386 . . . . 0.0 110.576 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.643 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.2 tt -62.77 -45.41 92.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-O 121.17 0.51 . . . . 0.0 110.325 -179.292 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 88.0 m-85 -60.5 -45.11 94.97 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.669 -179.541 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' B' ' 45' ' ' ARG . 96.6 m-85 -126.48 130.38 50.52 Favored 'General case' 0 N--CA 1.467 0.397 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.5 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 117.991 -1.004 . . . . 0.0 110.359 179.938 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.489 1.507 0 N-CA-C 109.322 -0.621 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 19.1 t-20 -64.5 -41.01 96.7 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.626 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 68.2 t0 -63.17 -42.34 99.37 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.633 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 39.2 t -61.04 -43.46 98.85 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.527 179.973 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 99.8 p -71.61 88.47 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.504 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . 0.462 ' O ' ' N ' ' C' ' 26' ' ' LEU . 0.8 OUTLIER -61.38 150.89 78.84 Favored Pre-proline 0 C--N 1.326 -0.425 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.585 -179.252 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 78.3 Cg_exo -40.34 -22.99 0.12 Allowed 'Trans proline' 0 N--CA 1.488 1.157 0 C-N-CA 122.532 2.155 . . . . 0.0 112.279 179.107 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.532 HD22 ' N ' ' C' ' 26' ' ' LEU . 3.9 mm? -62.11 -43.2 99.35 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.299 -0.41 . . . . 0.0 110.68 -179.395 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 78.6 t -63.32 -49.09 84.37 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.606 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.544 -179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 93.1 t -66.25 -45.02 90.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.552 -179.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.76 -44.15 85.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.709 -179.468 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.83 -47.83 79.43 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-N 116.423 -0.353 . . . . 0.0 110.82 -179.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -62.93 -40.36 97.41 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.772 -179.872 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 91.0 mt -63.59 -43.31 98.17 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.497 179.939 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 79.2 mt -57.62 -44.35 85.19 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.733 0 C-N-CA 120.59 -0.444 . . . . 0.0 110.901 -179.012 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.42 -46.38 49.01 Favored Glycine 0 CA--C 1.525 0.712 0 C-N-CA 120.962 -0.637 . . . . 0.0 111.541 -179.454 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.06 -50.36 79.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.893 0.377 . . . . 0.0 111.346 -179.137 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.66 -42.65 98.07 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.289 -0.414 . . . . 0.0 111.125 -179.429 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.667 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -60.67 -40.29 91.57 Favored 'General case' 0 C--N 1.318 -0.776 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.387 -179.711 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.644 HD21 ' ND1' ' B' ' 37' ' ' HIS . 12.8 mt -61.37 -39.92 92.4 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.989 -179.412 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -61.41 -45.1 99.31 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.955 0 C-N-CA 120.329 -0.548 . . . . 0.0 110.312 -179.16 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.9 mt -72.65 -44.26 62.1 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.987 0.423 . . . . 0.0 110.723 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -65.27 -35.95 82.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 115.83 -0.623 . . . . 0.0 110.772 -179.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.5 mm -63.71 -44.63 98.44 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.799 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.464 -179.652 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.86 -41.21 97.55 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.068 -0.515 . . . . 0.0 110.65 -179.066 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 62.7 t0 -58.24 -45.64 87.41 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.535 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.445 ' O ' ' O ' ' C' ' 48' ' ' PHE . 73.6 ttt180 -65.57 -23.45 66.85 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.9 0.381 . . . . 0.0 110.457 -179.683 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.647 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.2 tt -62.88 -45.01 94.54 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.217 0.532 . . . . 0.0 110.308 -179.365 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 87.8 m-85 -60.97 -44.66 97.02 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.703 -179.512 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.445 ' O ' ' O ' ' C' ' 45' ' ' ARG . 96.6 m-85 -127.04 130.86 50.77 Favored 'General case' 0 N--CA 1.467 0.393 0 CA-C-O 120.925 0.393 . . . . 0.0 110.348 179.864 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.025 -0.988 . . . . 0.0 110.415 -179.959 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 47.0 t . . . . . 0 N--CA 1.489 1.51 0 N-CA-C 109.386 -0.598 . . . . 0.0 109.386 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 18.4 t-20 -64.71 -40.7 95.8 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.542 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -63.58 -42.72 98.29 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.584 -179.831 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 41.1 t -60.44 -43.66 96.58 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.589 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 93.9 p -71.58 88.7 0.95 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.442 -179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . 0.461 ' O ' ' N ' ' D' ' 26' ' ' LEU . 0.8 OUTLIER -61.42 151.05 78.5 Favored Pre-proline 0 C--N 1.325 -0.479 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.766 -179.354 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_exo -40.82 -22.72 0.13 Allowed 'Trans proline' 0 C--N 1.314 -1.271 0 C-N-CA 122.628 2.218 . . . . 0.0 112.144 179.215 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.521 ' N ' HD22 ' D' ' 26' ' ' LEU . 3.9 mm? -62.01 -43.37 98.98 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.726 -179.594 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 79.2 t -63.36 -48.84 85.39 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.596 -179.67 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 89.0 t -66.34 -45.16 90.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.586 -179.769 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -57.47 -44.65 85.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.574 -179.521 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.33 -47.95 77.72 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.807 -179.711 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 76.7 p -62.9 -40.54 97.88 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.914 -179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 90.0 mt -63.56 -43.58 98.32 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.552 179.852 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 80.5 mt -57.26 -44.17 83.35 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 120.648 -0.421 . . . . 0.0 110.94 -179.005 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -70.55 -46.52 47.22 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 120.887 -0.673 . . . . 0.0 111.694 -179.624 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -62.93 -50.57 79.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.374 0 CA-C-O 120.872 0.367 . . . . 0.0 111.215 -179.099 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -63.49 -42.96 98.52 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-N 116.339 -0.392 . . . . 0.0 111.217 -179.347 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.662 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.5 t60 -60.27 -40.56 90.81 Favored 'General case' 0 C--N 1.317 -0.83 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.228 -179.733 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.667 HD21 ' ND1' ' C' ' 37' ' ' HIS . 13.2 mt -61.13 -40.08 92.47 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 116.325 -0.398 . . . . 0.0 111.144 -179.331 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.9 mt -61.15 -44.92 99.29 Favored 'Isoleucine or valine' 0 C--N 1.313 -0.978 0 C-N-CA 120.414 -0.514 . . . . 0.0 110.309 -179.251 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 94.4 mt -72.73 -44.15 62.05 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.186 0.517 . . . . 0.0 110.893 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 74.8 t90 -65.56 -35.64 81.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.806 -179.792 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.6 mm -63.93 -44.77 98.06 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.732 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.316 -179.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 73.8 mt -61.85 -41.26 97.61 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.624 -178.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -58.26 -45.4 87.91 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.608 -179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.426 ' O ' ' O ' ' D' ' 48' ' ' PHE . 72.7 ttt180 -65.57 -23.7 66.91 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.912 0.387 . . . . 0.0 110.453 -179.807 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.635 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.2 tt -62.89 -44.96 94.68 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 121.212 0.529 . . . . 0.0 110.341 -179.302 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 88.5 m-85 -60.96 -44.6 97.07 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.685 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.426 ' O ' ' O ' ' D' ' 45' ' ' ARG . 96.6 m-85 -126.95 130.31 49.83 Favored 'General case' 0 N--CA 1.466 0.362 0 CA-C-N 116.376 -0.375 . . . . 0.0 110.423 -179.991 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.978 -1.011 . . . . 0.0 110.458 179.904 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 0.671 'BR ' ' CA ' ' B' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.49 1.575 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 44.5 t30 -63.44 -40.08 96.21 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.664 -179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 44.3 t0 -62.2 -37.92 87.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.577 -179.975 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 59.5 m -59.9 -42.64 94.3 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.623 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 58.5 m -143.24 114.11 7.66 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.935 0.398 . . . . 0.0 110.273 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -77.54 150.51 79.49 Favored Pre-proline 0 C--N 1.328 -0.362 0 CA-C-N 115.916 -0.584 . . . . 0.0 110.525 -179.476 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.09 -14.52 38.38 Favored 'Trans proline' 0 N--CA 1.495 1.597 0 C-N-CA 122.902 2.402 . . . . 0.0 112.04 179.468 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 91.1 mt -59.17 -43.6 92.14 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.906 -178.749 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.462 HG23 ' N ' ' A' ' 28' ' ' VAL . 3.2 m -65.87 -41.78 90.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.535 0 CA-C-O 121.184 0.516 . . . . 0.0 110.53 179.798 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.462 ' N ' HG23 ' A' ' 27' ' ' VAL . 87.9 t -62.17 -44.23 98.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.725 -0.67 . . . . 0.0 110.249 -179.502 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.62 -37.39 86.1 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.225 179.676 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.03 -48.3 70.64 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.597 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 77.1 p -66.05 -40.4 90.94 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.984 179.875 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.11 -42.36 94.18 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.714 179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 66.8 mt -59.45 -43.89 91.55 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.414 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.573 -179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.78 -48.19 79.21 Favored Glycine 0 CA--C 1.522 0.491 0 N-CA-C 110.842 -0.903 . . . . 0.0 110.842 -179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.403 ' O ' ' CD1' ' A' ' 39' ' ' ILE . 4.8 mm -65.99 -48.41 81.84 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.396 0 C-N-CA 120.624 -0.43 . . . . 0.0 110.997 -179.567 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 52.9 tp -59.53 -45.42 91.8 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.057 0.456 . . . . 0.0 111.226 -178.781 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.526 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.7 t60 -59.22 -37.53 77.73 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.303 -179.623 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . . . . . . . . . 13.6 mt -61.38 -41.0 96.4 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.927 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.403 ' CD1' ' O ' ' A' ' 35' ' ' ILE . 1.7 mp -59.62 -45.06 94.57 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.13 0 C-N-CA 119.832 -0.747 . . . . 0.0 110.201 -179.794 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 86.5 mt -72.0 -43.82 64.46 Favored 'General case' 0 C--N 1.319 -0.727 0 C-N-CA 120.396 -0.522 . . . . 0.0 111.231 -179.435 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 79.6 t90 -67.34 -39.88 85.84 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.929 -0.578 . . . . 0.0 111.032 -179.523 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 4.3 mm -63.34 -43.75 98.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.725 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.174 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 55.9 tp -62.55 -39.71 94.49 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.853 -0.612 . . . . 0.0 110.28 -179.305 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 61.9 t0 -53.42 -45.34 69.36 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.23 -179.455 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 82.2 mtp180 -59.71 -31.23 69.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.469 179.803 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.614 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.4 tt -59.46 -47.52 85.15 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.081 0.467 . . . . 0.0 110.226 -178.99 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 59.1 m-85 -61.08 -45.89 92.87 Favored 'General case' 0 C--N 1.325 -0.476 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.65 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -137.28 141.68 41.94 Favored 'General case' 0 C--N 1.331 -0.229 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.253 179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 59.8 mttp . . . . . 0 C--O 1.219 -0.541 0 CA-C-O 118.045 -0.978 . . . . 0.0 110.461 179.876 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.6 t . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 43.9 t30 -63.33 -40.23 96.74 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.539 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -62.15 -38.19 88.06 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.511 -179.946 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 60.1 m -59.67 -42.62 93.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.616 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 58.6 m -143.24 114.21 7.72 Favored 'General case' 0 CA--C 1.518 -0.258 0 CA-C-O 120.913 0.387 . . . . 0.0 110.304 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.404 ' O ' HG22 ' B' ' 27' ' ' VAL . 28.4 m-20 -77.63 150.69 79.41 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.524 -179.408 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.18 -14.64 38.29 Favored 'Trans proline' 0 N--CA 1.496 1.618 0 C-N-CA 122.837 2.358 . . . . 0.0 112.069 179.33 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 90.4 mt -59.18 -43.47 92.15 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.824 -178.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.469 HG23 ' N ' ' B' ' 28' ' ' VAL . 3.2 m -65.86 -41.95 91.1 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-O 121.306 0.575 . . . . 0.0 110.636 179.75 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.469 ' N ' HG23 ' B' ' 27' ' ' VAL . 83.5 t -62.24 -44.06 98.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 115.7 -0.682 . . . . 0.0 110.246 -179.586 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.92 -37.38 86.76 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.044 -0.526 . . . . 0.0 110.359 179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.9 -47.98 70.58 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 116.389 -0.369 . . . . 0.0 110.601 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 78.0 p -66.28 -40.83 90.33 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.014 179.855 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -64.55 -42.45 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.733 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 67.1 mt -59.42 -43.79 91.2 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.633 -179.471 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.872 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -63.88 -48.51 75.67 Favored Glycine 0 CA--C 1.522 0.526 0 N-CA-C 110.815 -0.914 . . . . 0.0 110.815 -179.957 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mm -65.61 -48.57 82.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.606 -0.438 . . . . 0.0 110.97 -179.604 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 52.5 tp -59.56 -45.03 93.03 Favored 'General case' 0 C--N 1.322 -0.612 0 C-N-CA 120.619 -0.432 . . . . 0.0 111.114 -178.738 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.429 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 8.2 t60 -59.44 -37.83 79.13 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.288 -179.655 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.526 HD21 ' ND1' ' A' ' 37' ' ' HIS . 13.6 mt -61.19 -40.77 95.16 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.844 -179.774 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.78 -45.46 94.68 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.143 0 C-N-CA 119.767 -0.773 . . . . 0.0 110.163 -179.692 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 85.6 mt -71.77 -43.89 64.95 Favored 'General case' 0 C--N 1.319 -0.729 0 C-N-CA 120.438 -0.505 . . . . 0.0 111.074 -179.262 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.425 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 79.2 t90 -67.09 -39.99 86.85 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.992 -0.549 . . . . 0.0 110.948 -179.434 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' B' ' 38' ' ' LEU . 4.2 mm -63.42 -43.63 98.55 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.641 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.209 179.883 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.5 tp -62.54 -39.61 94.14 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.238 -179.331 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 62.8 t0 -53.53 -45.31 69.74 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.236 -179.46 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 82.4 mtp180 -59.73 -31.03 69.24 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.671 179.718 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.606 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.4 tt -59.68 -47.12 86.89 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 121.106 0.479 . . . . 0.0 110.287 -179.101 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -61.46 -45.9 92.31 Favored 'General case' 0 C--N 1.326 -0.437 0 C-N-CA 120.612 -0.435 . . . . 0.0 110.695 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -137.16 141.44 42.2 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.333 179.91 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 60.0 mttp . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 118.027 -0.987 . . . . 0.0 110.432 179.813 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 14.2 t . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.436 -0.579 . . . . 0.0 109.436 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 43.8 t30 -63.0 -40.09 96.74 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.658 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 44.5 t0 -62.15 -38.05 87.54 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.618 179.977 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 61.6 m -59.79 -42.56 93.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.561 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 58.5 m -143.33 114.23 7.69 Favored 'General case' 0 CA--C 1.519 -0.249 0 CA-C-O 120.946 0.403 . . . . 0.0 110.291 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -77.62 150.54 79.29 Favored Pre-proline 0 C--N 1.328 -0.359 0 CA-C-N 115.945 -0.57 . . . . 0.0 110.435 -179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 51.7 Cg_endo -69.03 -14.63 38.78 Favored 'Trans proline' 0 N--CA 1.496 1.622 0 C-N-CA 122.821 2.347 . . . . 0.0 112.039 179.391 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 90.9 mt -59.2 -44.06 92.24 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 116.437 -0.347 . . . . 0.0 110.888 -178.685 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.464 HG23 ' N ' ' C' ' 28' ' ' VAL . 3.0 m -65.36 -42.06 92.74 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.116 0.484 . . . . 0.0 110.497 179.778 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.464 ' N ' HG23 ' C' ' 27' ' ' VAL . 81.2 t -61.78 -44.8 99.33 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 115.803 -0.635 . . . . 0.0 110.217 -179.64 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.16 -37.5 85.46 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.341 179.766 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.97 -48.15 70.64 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.64 -179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 77.8 p -65.99 -40.61 91.33 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 120.927 0.394 . . . . 0.0 110.91 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.8 -42.38 94.75 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.731 179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 68.3 mt -59.4 -43.86 91.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.528 -179.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.69 -48.49 76.74 Favored Glycine 0 CA--C 1.521 0.438 0 N-CA-C 110.925 -0.87 . . . . 0.0 110.925 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 4.6 mm -65.71 -48.59 81.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 C-N-CA 120.658 -0.417 . . . . 0.0 110.928 -179.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 52.1 tp -59.4 -45.16 92.25 Favored 'General case' 0 C--N 1.322 -0.61 0 C-N-CA 120.636 -0.426 . . . . 0.0 111.158 -178.66 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.511 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.7 t60 -59.42 -37.75 78.86 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.337 -179.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.406 ' O ' ' CG1' ' C' ' 42' ' ' ILE . 13.6 mt -61.34 -40.87 95.85 Favored 'General case' 0 C--O 1.22 -0.465 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.8 -179.758 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.58 -45.32 94.18 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.122 0 C-N-CA 119.861 -0.736 . . . . 0.0 110.143 -179.757 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.94 -43.88 64.53 Favored 'General case' 0 C--N 1.319 -0.724 0 C-N-CA 120.439 -0.505 . . . . 0.0 111.07 -179.347 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 79.5 t90 -67.12 -39.97 86.73 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.082 -179.445 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.406 ' CG1' ' O ' ' C' ' 38' ' ' LEU . 4.3 mm -63.4 -43.69 98.6 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.187 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 55.6 tp -62.55 -39.82 94.85 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.296 -179.383 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 62.9 t0 -53.25 -45.48 68.79 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.281 -179.488 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 82.3 mtp180 -59.59 -31.42 69.44 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.526 179.782 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.606 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.4 tt -59.32 -47.35 85.72 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 121.065 0.46 . . . . 0.0 110.232 -179.014 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 58.9 m-85 -61.18 -45.89 92.73 Favored 'General case' 0 C--N 1.326 -0.438 0 C-N-CA 120.647 -0.421 . . . . 0.0 110.735 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -137.22 141.54 42.07 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.286 179.913 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 60.1 mttp . . . . . 0 C--O 1.221 -0.44 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.46 179.901 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 13.9 t . . . . . 0 N--CA 1.489 1.497 0 N-CA-C 109.485 -0.561 . . . . 0.0 109.485 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 43.4 t30 -62.91 -39.96 96.14 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.476 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -62.4 -38.24 88.87 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.557 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 60.0 m -59.72 -42.15 92.45 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.688 -179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 58.3 m -143.61 114.09 7.5 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.346 179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 29.5 m-20 -77.76 150.42 78.69 Favored Pre-proline 0 C--N 1.328 -0.363 0 CA-C-N 115.964 -0.562 . . . . 0.0 110.475 -179.403 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -68.8 -14.75 39.65 Favored 'Trans proline' 0 N--CA 1.496 1.667 0 C-N-CA 122.866 2.378 . . . . 0.0 112.103 179.362 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 91.2 mt -59.13 -43.75 91.99 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.364 -0.38 . . . . 0.0 110.824 -178.746 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.472 HG23 ' N ' ' D' ' 28' ' ' VAL . 3.1 m -65.44 -42.42 93.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.587 0 CA-C-O 121.129 0.49 . . . . 0.0 110.51 179.783 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . 0.472 ' N ' HG23 ' D' ' 27' ' ' VAL . 84.5 t -61.79 -44.79 99.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 115.797 -0.638 . . . . 0.0 110.244 -179.584 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.84 -37.69 85.44 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.391 179.668 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.81 -48.54 69.77 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.637 -179.877 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 74.1 p -65.54 -40.99 93.54 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.297 -0.41 . . . . 0.0 111.033 179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.61 -42.27 94.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.377 0 CA-C-N 116.021 -0.536 . . . . 0.0 110.678 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 68.8 mt -59.54 -43.82 91.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 116.412 -0.358 . . . . 0.0 110.622 -179.589 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.05 -47.82 81.7 Favored Glycine 0 CA--C 1.522 0.506 0 N-CA-C 110.834 -0.906 . . . . 0.0 110.834 -179.93 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 4.3 mm -66.29 -48.4 81.2 Favored 'Isoleucine or valine' 0 C--O 1.223 -0.333 0 C-N-CA 120.641 -0.424 . . . . 0.0 111.002 -179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.4 tp -59.79 -44.8 93.77 Favored 'General case' 0 C--N 1.323 -0.564 0 C-N-CA 120.634 -0.426 . . . . 0.0 111.131 -178.712 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.423 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 8.4 t60 -59.39 -37.91 79.15 Favored 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.936 -0.574 . . . . 0.0 110.275 -179.731 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.511 HD21 ' ND1' ' C' ' 37' ' ' HIS . 13.6 mt -61.28 -40.65 94.91 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.818 -179.754 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 1.7 mp -59.73 -45.32 94.67 Favored 'Isoleucine or valine' 0 C--N 1.31 -1.146 0 C-N-CA 119.924 -0.71 . . . . 0.0 110.16 -179.796 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 85.9 mt -72.17 -43.8 64.02 Favored 'General case' 0 C--N 1.318 -0.778 0 C-N-CA 120.436 -0.506 . . . . 0.0 111.075 -179.272 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.429 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 79.2 t90 -67.19 -40.12 86.48 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.979 -179.447 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.405 ' CG1' ' O ' ' D' ' 38' ' ' LEU . 4.2 mm -63.28 -43.58 98.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.218 179.945 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.5 -39.86 94.84 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.876 -0.602 . . . . 0.0 110.234 -179.409 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 62.5 t0 -53.19 -45.77 68.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.166 -179.465 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.409 ' O ' ' O ' ' D' ' 48' ' ' PHE . 82.3 mtp180 -59.31 -31.34 69.06 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.649 179.727 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.606 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.4 tt -59.35 -47.52 85.12 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.156 0.503 . . . . 0.0 110.31 -179.043 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 59.3 m-85 -61.21 -45.55 94.09 Favored 'General case' 0 C--N 1.325 -0.462 0 C-N-CA 120.69 -0.404 . . . . 0.0 110.553 -179.825 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.409 ' O ' ' O ' ' D' ' 45' ' ' ARG . 98.5 m-85 -137.44 142.03 41.62 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.232 179.872 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 59.6 mttp . . . . . 0 C--O 1.221 -0.439 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.492 179.912 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 0.872 'BR ' ' HA3' ' B' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.305 -0.628 . . . . 0.0 109.305 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -83.55 116.22 22.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.586 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -72.32 -11.2 60.6 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.537 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 66.2 m -60.17 -38.24 82.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.456 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p 74.6 132.94 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.181 -179.662 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.423 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 1.1 p-10 -75.8 150.26 83.78 Favored Pre-proline 0 CA--C 1.535 0.378 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.741 -179.481 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -70.04 -16.39 36.36 Favored 'Trans proline' 0 N--CA 1.494 1.527 0 C-N-CA 122.478 2.118 . . . . 0.0 112.017 179.62 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 53.5 mt -61.57 -45.82 92.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.92 -179.022 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.419 HG12 ' H ' ' A' ' 27' ' ' VAL . 2.7 p -71.12 -35.37 58.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.933 0.397 . . . . 0.0 110.621 179.295 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t -63.59 -45.57 97.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.431 -179.857 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.7 -37.86 89.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.462 179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.424 ' HB1' ' S ' ' C' ' 100' ' ' 3LW . . . -53.85 -50.29 66.57 Favored 'General case' 0 C--N 1.328 -0.326 0 C-N-CA 120.872 -0.331 . . . . 0.0 110.662 -179.61 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 62.7 m -61.72 -42.58 99.14 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.705 179.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.01 -42.7 96.53 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.766 -179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.3 mt -61.85 -44.51 98.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.503 -0.317 . . . . 0.0 110.842 -179.278 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.87 -51.5 39.83 Favored Glycine 0 CA--C 1.526 0.74 0 N-CA-C 111.203 -0.759 . . . . 0.0 111.203 -179.849 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.9 -43.48 96.28 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.228 0 CA-C-O 120.7 0.286 . . . . 0.0 111.048 -179.807 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.46 -45.86 92.51 Favored 'General case' 0 C--O 1.235 0.311 0 CA-C-O 120.913 0.387 . . . . 0.0 110.613 -179.265 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.588 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.2 t60 -61.1 -40.18 92.75 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.32 179.723 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.578 HD21 ' ND1' ' D' ' 37' ' ' HIS . 9.6 mt -60.98 -39.08 88.26 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.861 -179.367 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.8 mt -60.79 -46.8 95.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.649 0 C-N-CA 120.061 -0.655 . . . . 0.0 110.056 -179.429 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.8 mt -70.15 -44.7 68.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.455 -0.339 . . . . 0.0 111.333 179.59 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 82.2 t90 -66.41 -36.67 83.42 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.418 -0.355 . . . . 0.0 111.116 -179.477 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.7 -44.29 98.5 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 109.716 -0.476 . . . . 0.0 109.716 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 78.6 mt -61.11 -40.19 92.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.336 -0.393 . . . . 0.0 110.489 -179.553 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 65.9 t0 -56.62 -44.05 80.83 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-O 120.863 0.364 . . . . 0.0 110.331 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.406 ' O ' ' O ' ' A' ' 48' ' ' PHE . 60.2 ttt85 -60.89 -40.67 93.94 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.884 179.664 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.617 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.2 tt -60.41 -45.68 92.73 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.97 0.414 . . . . 0.0 110.21 -179.044 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 58.1 m-85 -61.8 -44.86 96.03 Favored 'General case' 0 C--N 1.331 -0.231 0 C-N-CA 120.729 -0.388 . . . . 0.0 110.467 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.406 ' O ' ' O ' ' A' ' 45' ' ' ARG . 98.4 m-85 -136.96 140.04 41.93 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.388 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.906 -1.045 . . . . 0.0 110.532 179.835 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 29.0 t . . . . . 0 N--CA 1.489 1.517 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -83.43 116.3 22.45 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.581 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -72.47 -11.31 60.62 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.57 -179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.404 ' O ' ' OG ' ' B' ' 23' ' ' SER . 66.2 m -59.99 -38.37 82.4 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.511 179.889 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 0.404 ' OG ' ' O ' ' B' ' 22' ' ' SER . 3.0 p 74.81 133.19 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.141 -179.739 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 1.1 p-10 -75.92 150.21 83.46 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.668 -179.436 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 56.5 Cg_endo -70.01 -16.45 36.5 Favored 'Trans proline' 0 N--CA 1.495 1.576 0 C-N-CA 122.438 2.092 . . . . 0.0 111.946 179.642 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 53.7 mt -61.57 -45.76 92.76 Favored 'General case' 0 C--N 1.331 -0.215 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.789 -178.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 2.7 p -71.02 -35.71 60.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.932 0.396 . . . . 0.0 110.737 179.363 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 98.9 t -63.44 -45.43 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.448 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.78 88.78 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.555 179.787 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.01 -50.11 67.36 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 120.867 -0.333 . . . . 0.0 110.559 -179.567 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 66.4 m -61.81 -42.57 99.19 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.915 0.388 . . . . 0.0 110.649 179.805 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.8 mt -63.88 -42.83 97.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.772 -179.786 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 73.9 mt -61.67 -44.75 99.2 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.334 -0.394 . . . . 0.0 110.801 -179.262 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.69 -51.41 41.55 Favored Glycine 0 CA--C 1.526 0.768 0 N-CA-C 111.192 -0.763 . . . . 0.0 111.192 -179.79 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.7 mt -64.96 -43.58 96.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.723 0.297 . . . . 0.0 110.917 -179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.43 -45.86 92.53 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-O 120.918 0.39 . . . . 0.0 110.659 -179.248 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.59 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -61.16 -40.27 93.23 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.282 179.708 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.588 HD21 ' ND1' ' A' ' 37' ' ' HIS . 10.0 mt -60.89 -38.97 87.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 -179.356 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.97 -46.83 95.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.677 0 C-N-CA 120.079 -0.648 . . . . 0.0 110.106 -179.526 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.5 mt -70.29 -44.62 67.98 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.453 -0.339 . . . . 0.0 111.315 179.718 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.423 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 81.9 t90 -66.33 -36.81 83.86 Favored 'General case' 0 CA--C 1.531 0.222 0 CA-C-N 116.456 -0.338 . . . . 0.0 111.018 -179.566 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.62 -44.19 98.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 109.872 -0.418 . . . . 0.0 109.872 179.944 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 77.9 mt -61.28 -40.22 93.31 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.376 -179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -56.69 -43.81 80.88 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.76 0.314 . . . . 0.0 110.31 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' B' ' 48' ' ' PHE . 60.1 ttt85 -61.0 -40.61 94.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.799 179.645 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.625 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.2 tt -60.66 -45.5 93.88 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.853 0.359 . . . . 0.0 110.185 -178.915 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 58.5 m-85 -61.79 -44.87 96.01 Favored 'General case' 0 C--N 1.331 -0.216 0 C-N-CA 120.725 -0.39 . . . . 0.0 110.472 179.611 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' B' ' 45' ' ' ARG . 98.5 m-85 -136.89 140.12 42.11 Favored 'General case' 0 N--CA 1.463 0.216 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.495 179.734 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt . . . . . 0 C--O 1.22 -0.45 0 CA-C-O 117.872 -1.061 . . . . 0.0 110.536 179.824 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 29.8 t . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.365 -0.606 . . . . 0.0 109.365 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -83.5 116.17 22.42 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.538 -179.911 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 97.3 m-20 -72.41 -11.29 60.62 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.621 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 66.1 m -59.91 -38.45 82.37 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.523 179.848 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 2.9 p 74.88 132.95 0.05 OUTLIER 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.147 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . 0.435 ' OD1' ' N ' ' C' ' 24' ' ' ASP . 1.2 p-10 -75.77 150.09 83.72 Favored Pre-proline 0 CA--C 1.535 0.395 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.785 -179.528 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.83 -16.45 37.25 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.552 2.168 . . . . 0.0 111.965 179.648 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 53.6 mt -61.66 -45.77 92.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.913 -178.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.424 HG12 ' H ' ' C' ' 27' ' ' VAL . 2.7 p -71.1 -35.4 58.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-O 120.989 0.423 . . . . 0.0 110.589 179.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 99.2 t -63.64 -45.55 97.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.391 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.77 -37.76 88.69 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.488 179.844 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.0 -50.15 67.24 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.814 -0.355 . . . . 0.0 110.717 -179.659 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 66.2 m -61.79 -42.61 99.21 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.625 179.76 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.04 -42.65 96.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.754 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 74.1 mt -61.81 -44.64 99.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.808 -179.344 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.72 -51.41 41.37 Favored Glycine 0 CA--C 1.525 0.683 0 C-N-CA 120.746 -0.74 . . . . 0.0 111.323 -179.92 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -64.96 -43.55 96.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.727 0.299 . . . . 0.0 110.934 -179.688 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.49 -45.71 93.1 Favored 'General case' 0 C--O 1.234 0.271 0 CA-C-O 120.935 0.397 . . . . 0.0 110.68 -179.249 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.591 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.2 t60 -61.29 -40.12 92.95 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.237 179.77 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.59 HD21 ' ND1' ' B' ' 37' ' ' HIS . 10.0 mt -60.95 -39.11 88.26 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.849 -179.447 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.0 mt -60.77 -46.82 95.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 C-N-CA 120.055 -0.658 . . . . 0.0 110.102 -179.487 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.8 mt -70.23 -44.52 68.4 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.384 -0.371 . . . . 0.0 111.288 179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.427 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 82.5 t90 -66.47 -36.77 83.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 116.356 -0.384 . . . . 0.0 111.167 -179.524 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.62 -44.19 98.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.824 -0.436 . . . . 0.0 109.824 179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 78.2 mt -61.1 -40.42 93.69 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.468 -179.644 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 65.2 t0 -56.68 -43.8 80.8 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.829 0.347 . . . . 0.0 110.24 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.42 ' O ' ' O ' ' C' ' 48' ' ' PHE . 60.2 ttt85 -60.99 -40.78 94.78 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.742 179.601 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.628 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.2 tt -60.54 -45.49 93.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.838 0.351 . . . . 0.0 110.269 -178.937 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 58.8 m-85 -61.8 -44.83 96.09 Favored 'General case' 0 C--N 1.329 -0.297 0 C-N-CA 120.763 -0.375 . . . . 0.0 110.514 179.577 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.42 ' O ' ' O ' ' C' ' 45' ' ' ARG . 98.5 m-85 -136.91 140.17 42.1 Favored 'General case' 0 N--CA 1.463 0.215 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.525 179.717 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.959 -1.02 . . . . 0.0 110.563 179.794 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 28.9 t . . . . . 0 N--CA 1.491 1.584 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 98.3 m-20 -83.44 116.3 22.45 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.534 -179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 97.4 m-20 -72.46 -11.18 60.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.613 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . 0.408 ' O ' ' OG ' ' D' ' 23' ' ' SER . 67.0 m -60.11 -38.36 82.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.472 179.914 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' D' ' 22' ' ' SER . 2.9 p 74.77 133.09 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.215 -179.679 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 1.2 p-10 -75.96 150.02 83.2 Favored Pre-proline 0 CA--C 1.535 0.387 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.653 -179.416 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -69.81 -16.56 37.39 Favored 'Trans proline' 0 N--CA 1.494 1.514 0 C-N-CA 122.555 2.17 . . . . 0.0 111.926 179.682 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 53.5 mt -61.57 -45.77 92.74 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.923 -178.872 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.412 HG12 ' H ' ' D' ' 27' ' ' VAL . 2.6 p -71.12 -35.63 59.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-O 120.909 0.385 . . . . 0.0 110.656 179.288 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 99.3 t -63.27 -45.57 97.95 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.361 -179.858 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -64.82 -37.78 88.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.514 179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.94 -50.14 67.12 Favored 'General case' 0 C--N 1.328 -0.343 0 C-N-CA 120.868 -0.333 . . . . 0.0 110.642 -179.641 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 62.5 m -61.77 -42.59 99.18 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-O 120.844 0.354 . . . . 0.0 110.729 179.698 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.9 mt -64.02 -42.67 96.43 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.232 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.669 -179.712 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 73.8 mt -61.73 -44.74 99.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.422 0 CA-C-N 116.454 -0.339 . . . . 0.0 110.821 -179.313 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -66.76 -51.4 41.2 Favored Glycine 0 CA--C 1.525 0.686 0 N-CA-C 111.212 -0.755 . . . . 0.0 111.212 -179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -64.93 -43.57 96.23 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-O 120.665 0.269 . . . . 0.0 111.001 -179.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -61.38 -45.85 92.65 Favored 'General case' 0 C--O 1.234 0.27 0 CA-C-O 120.909 0.385 . . . . 0.0 110.65 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.578 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -61.24 -40.24 93.31 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.31 179.67 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.591 HD21 ' ND1' ' C' ' 37' ' ' HIS . 9.9 mt -60.82 -39.04 87.51 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.791 -179.38 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 95.2 mt -60.76 -46.89 95.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 C-N-CA 120.02 -0.672 . . . . 0.0 110.154 -179.545 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 52.6 mt -70.19 -44.81 67.92 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.33 179.67 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.424 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 82.3 t90 -66.19 -36.75 83.9 Favored 'General case' 0 C--N 1.331 -0.209 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.058 -179.544 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -61.59 -44.33 98.45 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 79.0 mt -61.17 -40.27 93.27 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.445 -179.622 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 65.1 t0 -56.67 -43.96 80.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.798 0.333 . . . . 0.0 110.251 179.863 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.43 ' O ' ' O ' ' D' ' 48' ' ' PHE . 60.4 ttt85 -60.96 -40.63 94.08 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.927 179.559 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.622 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.2 tt -60.52 -45.58 93.31 Favored 'General case' 0 CA--C 1.533 0.302 0 CA-C-O 120.858 0.361 . . . . 0.0 110.209 -179.063 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 58.4 m-85 -61.7 -44.89 96.06 Favored 'General case' 0 C--N 1.329 -0.306 0 C-N-CA 120.753 -0.379 . . . . 0.0 110.504 179.602 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.43 ' O ' ' O ' ' D' ' 45' ' ' ARG . 98.4 m-85 -136.9 140.14 42.1 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.486 179.806 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 17.2 ptpt . . . . . 0 C--O 1.221 -0.417 0 CA-C-O 117.911 -1.043 . . . . 0.0 110.662 179.691 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 0.424 ' S ' ' HB1' ' A' ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 26.9 p . . . . . 0 N--CA 1.489 1.477 0 N-CA-C 109.529 -0.545 . . . . 0.0 109.529 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.436 ' O ' ' OD1' ' A' ' 21' ' ' ASP . 75.8 m-20 -63.82 -43.95 94.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.763 -179.846 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.436 ' OD1' ' O ' ' A' ' 20' ' ' ASN . 96.6 m-20 -138.13 1.58 2.25 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.273 -0.422 . . . . 0.0 110.679 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.458 ' C ' ' H ' ' A' ' 24' ' ' ASP . 96.9 p -61.42 -34.1 74.83 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.677 -179.876 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 68.0 m -76.1 33.7 0.13 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.443 -179.922 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.458 ' H ' ' C ' ' A' ' 22' ' ' SER . 26.2 m-20 -48.72 150.07 2.73 Favored Pre-proline 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.793 -179.275 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 45.4 Cg_endo -67.87 -21.55 43.92 Favored 'Trans proline' 0 N--CA 1.495 1.612 0 C-N-CA 122.645 2.23 . . . . 0.0 111.992 179.502 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.53 ' N ' HD12 ' A' ' 26' ' ' LEU . 9.4 mp -62.59 -42.39 99.53 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.426 -179.384 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 85.7 t -62.82 -46.91 95.15 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.393 0 CA-C-O 120.937 0.399 . . . . 0.0 110.544 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.6 t -64.21 -44.26 97.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.421 -179.948 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.77 -40.81 93.94 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.542 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.14 -49.14 72.55 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.339 -0.392 . . . . 0.0 110.726 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 52.8 m -61.82 -42.39 98.96 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.788 179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.28 -42.24 95.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.727 -179.764 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.552 HG23 HD11 ' B' ' 38' ' ' LEU . 79.5 mt -60.06 -42.61 90.41 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.552 -179.654 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.816 ' CA ' 'BR ' ' C' ' 100' ' ' 3LW . . . -60.52 -53.8 42.48 Favored Glycine 0 CA--C 1.526 0.769 0 C-N-CA 120.603 -0.808 . . . . 0.0 111.232 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 35.2 mm -67.68 -44.84 85.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 C-N-CA 120.944 -0.302 . . . . 0.0 110.745 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.76 -45.31 94.43 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-O 120.933 0.397 . . . . 0.0 110.929 -179.147 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.513 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.6 t60 -64.76 -40.81 95.89 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.027 -0.533 . . . . 0.0 110.469 -179.742 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.595 HD11 HG23 ' D' ' 33' ' ' ILE . 13.9 mt -61.64 -41.52 97.62 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.152 -179.537 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 79.1 mt -58.81 -48.18 86.98 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 C-N-CA 120.082 -0.647 . . . . 0.0 110.491 -179.594 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 84.2 mt -70.99 -42.78 69.2 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.94 0.4 . . . . 0.0 111.104 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 75.7 t90 -66.89 -35.43 80.0 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.021 -179.74 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.11 -43.95 99.21 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-N 115.955 -0.566 . . . . 0.0 109.853 -179.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.551 HD13 ' O ' ' A' ' 43' ' ' LEU . 0.2 OUTLIER -61.79 -43.09 99.53 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-O 121.157 0.504 . . . . 0.0 110.278 -178.399 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.413 ' O ' ' OD1' ' A' ' 44' ' ' ASP . 62.8 t0 -62.28 -39.58 93.42 Favored 'General case' 0 C--N 1.319 -0.725 0 CA-C-N 116.073 -0.512 . . . . 0.0 110.632 -179.608 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 64.0 ttt-85 -67.74 -17.02 64.41 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.515 -179.679 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 tp -61.29 -42.1 98.08 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.38 -179.328 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -95.16 39.86 1.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.97 0.414 . . . . 0.0 110.613 -179.812 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -46.3 157.24 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 115.957 -0.565 . . . . 0.0 110.37 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.476 0 CA-C-O 118.078 -0.963 . . . . 0.0 110.463 -179.945 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 26.2 p . . . . . 0 N--CA 1.489 1.514 0 N-CA-C 109.339 -0.615 . . . . 0.0 109.339 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.428 ' O ' ' OD1' ' B' ' 21' ' ' ASP . 75.9 m-20 -63.84 -43.58 95.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.7 -179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.428 ' OD1' ' O ' ' B' ' 20' ' ' ASN . 95.7 m-20 -138.2 1.5 2.23 Favored 'General case' 0 N--CA 1.465 0.289 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.619 -179.989 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.457 ' C ' ' H ' ' B' ' 24' ' ' ASP . 99.4 p -61.08 -34.49 75.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.691 -179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 68.6 m -76.08 34.51 0.13 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.433 -179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.457 ' H ' ' C ' ' B' ' 22' ' ' SER . 25.8 m-20 -49.48 150.05 3.66 Favored Pre-proline 0 C--N 1.327 -0.403 0 CA-C-N 116.077 -0.51 . . . . 0.0 110.739 -179.278 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 44.0 Cg_endo -67.71 -21.76 44.65 Favored 'Trans proline' 0 N--CA 1.496 1.642 0 C-N-CA 122.727 2.284 . . . . 0.0 111.979 179.646 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.531 ' N ' HD12 ' B' ' 26' ' ' LEU . 9.3 mp -62.55 -42.46 99.55 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.498 -179.414 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 82.8 t -62.76 -46.76 95.55 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 121.023 0.439 . . . . 0.0 110.555 -179.792 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 87.4 t -64.27 -44.4 97.34 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.255 0 CA-C-N 116.041 -0.527 . . . . 0.0 110.452 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -41.04 93.86 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.491 -179.907 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.77 -49.31 71.22 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.671 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 60.0 m -61.7 -42.52 99.05 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.846 179.839 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.29 -42.27 95.78 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.39 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.657 -179.695 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.592 HG23 HD11 ' C' ' 38' ' ' LEU . 80.8 mt -60.05 -42.84 91.18 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.5 0 CA-C-N 116.405 -0.361 . . . . 0.0 110.628 -179.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.29 -53.22 47.43 Favored Glycine 0 CA--C 1.525 0.715 0 C-N-CA 120.669 -0.777 . . . . 0.0 111.175 -179.521 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 35.9 mm -68.06 -44.8 84.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-O 120.88 0.371 . . . . 0.0 110.817 -179.821 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.4 tp -61.94 -45.18 94.83 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.972 -179.081 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.696 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.5 t60 -64.66 -40.77 96.01 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.437 -179.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.552 HD11 HG23 ' A' ' 33' ' ' ILE . 13.9 mt -61.87 -41.42 97.84 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.022 -0.535 . . . . 0.0 111.169 -179.439 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 79.8 mt -59.0 -48.03 87.95 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.813 0 C-N-CA 120.08 -0.648 . . . . 0.0 110.498 -179.652 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 85.1 mt -71.11 -43.06 68.43 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 120.968 0.413 . . . . 0.0 111.055 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.0 t90 -66.79 -35.46 80.13 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.84 -179.624 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.0 -43.97 99.39 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-N 116.15 -0.477 . . . . 0.0 109.868 -179.52 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.553 ' O ' HD13 ' B' ' 43' ' ' LEU . 0.2 OUTLIER -61.72 -42.96 99.64 Favored 'General case' 0 C--N 1.32 -0.713 0 C-N-CA 120.322 -0.551 . . . . 0.0 110.335 -178.476 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.417 ' O ' ' OD1' ' B' ' 44' ' ' ASP . 63.9 t0 -62.58 -39.29 93.22 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.67 -179.592 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 63.5 ttt-85 -67.75 -16.91 64.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.098 0.475 . . . . 0.0 110.659 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 11.0 tp -61.4 -41.96 97.97 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.515 -179.373 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 98.0 m-85 -95.37 39.67 1.12 Allowed 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.531 -179.786 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -45.93 157.33 0.12 Allowed 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.064 -0.516 . . . . 0.0 110.398 179.735 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.486 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.443 -179.941 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 33.1 p . . . . . 0 N--CA 1.49 1.541 0 N-CA-C 109.399 -0.593 . . . . 0.0 109.399 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . 0.424 ' O ' ' OD1' ' C' ' 21' ' ' ASP . 75.7 m-20 -63.81 -43.54 95.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.692 -179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.424 ' OD1' ' O ' ' C' ' 20' ' ' ASN . 96.4 m-20 -138.19 1.66 2.24 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.647 179.87 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . 0.445 ' C ' ' H ' ' C' ' 24' ' ' ASP . 94.4 p -61.46 -33.99 74.67 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.626 -179.841 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 66.4 m -76.51 34.6 0.14 Allowed 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.415 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . 0.445 ' H ' ' C ' ' C' ' 22' ' ' SER . 27.1 m-20 -49.47 150.27 3.49 Favored Pre-proline 0 C--N 1.326 -0.428 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.81 -179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 43.6 Cg_endo -67.7 -21.91 44.47 Favored 'Trans proline' 0 N--CA 1.495 1.564 0 C-N-CA 122.718 2.279 . . . . 0.0 112.025 179.488 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.526 ' N ' HD12 ' C' ' 26' ' ' LEU . 9.3 mp -62.44 -42.59 99.57 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.581 -179.435 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 84.3 t -62.75 -46.87 95.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.49 -179.807 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 88.2 t -64.12 -44.23 97.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.424 -179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.98 -40.68 94.36 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.506 -179.879 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.35 -48.97 73.42 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.659 -179.818 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 56.5 m -61.9 -42.48 99.13 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.763 179.926 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.17 -42.16 95.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.644 -179.689 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.569 HG23 HD11 ' D' ' 38' ' ' LEU . 80.7 mt -60.25 -42.8 91.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.558 -179.665 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.4 -53.57 44.44 Favored Glycine 0 CA--C 1.525 0.717 0 C-N-CA 120.598 -0.81 . . . . 0.0 111.104 -179.496 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 36.1 mm -67.76 -45.3 84.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.828 0.347 . . . . 0.0 110.853 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -61.3 -45.21 95.4 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.948 -179.125 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.592 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -64.78 -40.67 95.64 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.918 -0.583 . . . . 0.0 110.441 -179.767 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.696 HD21 ' ND1' ' B' ' 37' ' ' HIS . 13.9 mt -61.83 -41.37 97.7 Favored 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.226 -179.484 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 80.9 mt -59.06 -47.52 89.73 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.802 0 C-N-CA 120.093 -0.643 . . . . 0.0 110.407 -179.504 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 85.3 mt -71.65 -43.15 66.6 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-O 120.984 0.421 . . . . 0.0 111.13 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -66.54 -35.49 80.36 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.859 -0.609 . . . . 0.0 110.824 -179.709 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.0 -44.22 99.54 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.63 0 CA-C-N 116.122 -0.49 . . . . 0.0 109.861 -179.493 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.564 ' O ' HD13 ' C' ' 43' ' ' LEU . 0.2 OUTLIER -61.46 -43.52 98.73 Favored 'General case' 0 C--N 1.321 -0.658 0 C-N-CA 120.296 -0.561 . . . . 0.0 110.288 -178.351 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.425 ' O ' ' OD1' ' C' ' 44' ' ' ASP . 63.7 t0 -61.8 -39.29 91.2 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.634 -179.598 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 63.9 ttt-85 -67.95 -16.71 64.19 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.586 -179.733 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 tp -61.57 -42.09 98.34 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.379 -179.313 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -95.15 39.76 1.11 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.899 0.38 . . . . 0.0 110.514 -179.727 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 5.2 p90 -46.25 157.69 0.12 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.338 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 88.7 tttt . . . . . 0 C--O 1.22 -0.491 0 CA-C-O 117.942 -1.027 . . . . 0.0 110.392 -179.95 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 32.7 p . . . . . 0 N--CA 1.49 1.557 0 N-CA-C 109.313 -0.625 . . . . 0.0 109.313 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . 0.431 ' O ' ' OD1' ' D' ' 21' ' ' ASP . 76.3 m-20 -64.05 -43.63 94.91 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.66 -179.921 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . 0.431 ' OD1' ' O ' ' D' ' 20' ' ' ASN . 97.0 m-20 -138.51 2.08 2.21 Favored 'General case' 0 N--CA 1.467 0.387 0 CA-C-N 116.381 -0.372 . . . . 0.0 110.549 179.951 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . 0.453 ' C ' ' H ' ' D' ' 24' ' ' ASP . 95.8 p -61.56 -34.48 75.64 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.598 -179.879 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 67.9 m -75.95 33.93 0.12 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.466 -179.9 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . 0.453 ' H ' ' C ' ' D' ' 22' ' ' SER . 25.8 m-20 -48.83 150.23 2.73 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.702 -179.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 45.1 Cg_endo -68.01 -21.54 43.11 Favored 'Trans proline' 0 N--CA 1.495 1.589 0 C-N-CA 122.677 2.251 . . . . 0.0 112.043 179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.524 ' N ' HD12 ' D' ' 26' ' ' LEU . 9.3 mp -62.61 -42.26 99.47 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.539 -179.445 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 90.6 t -62.96 -47.08 94.5 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.526 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 90.5 t -63.88 -44.43 98.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.459 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.61 -40.97 93.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.588 -179.896 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.08 -49.04 72.68 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.667 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 58.5 m -61.73 -42.48 99.02 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.797 179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.22 -42.09 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.719 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.595 HG23 HD11 ' A' ' 38' ' ' LEU . 80.3 mt -60.24 -42.81 91.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.448 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.59 -179.628 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.54 -53.5 44.92 Favored Glycine 0 CA--C 1.525 0.682 0 N-CA-C 111.144 -0.782 . . . . 0.0 111.144 -179.477 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 35.8 mm -67.81 -45.05 85.05 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-O 120.785 0.326 . . . . 0.0 110.756 -179.769 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -61.8 -45.13 95.18 Favored 'General case' 0 C--N 1.323 -0.552 0 C-N-CA 120.642 -0.423 . . . . 0.0 110.923 -179.11 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.553 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -64.68 -40.81 96.04 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.315 -179.748 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.592 HD21 ' ND1' ' C' ' 37' ' ' HIS . 13.8 mt -61.66 -41.6 97.75 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.275 -179.454 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 80.7 mt -58.96 -47.76 88.75 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.873 0 C-N-CA 120.072 -0.651 . . . . 0.0 110.389 -179.524 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 86.1 mt -71.22 -42.85 68.41 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 120.973 0.416 . . . . 0.0 111.055 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 75.6 t90 -67.1 -35.24 79.34 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.031 -179.629 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.4 mm -63.12 -43.95 99.18 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.062 -0.517 . . . . 0.0 109.958 -179.611 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.562 HD13 ' O ' ' D' ' 43' ' ' LEU . 0.2 OUTLIER -61.73 -43.02 99.67 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.222 0.534 . . . . 0.0 110.294 -178.377 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.423 ' OD1' ' O ' ' D' ' 44' ' ' ASP . 63.0 t0 -62.43 -39.25 92.7 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.613 -179.661 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 63.6 ttt-85 -68.01 -16.9 64.24 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.505 -179.696 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 10.9 tp -61.48 -41.9 97.96 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.405 -179.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 98.1 m-85 -95.35 39.84 1.11 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.994 0.426 . . . . 0.0 110.581 -179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 5.1 p90 -46.21 157.51 0.12 Allowed 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.368 179.779 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 88.8 tttt . . . . . 0 C--O 1.218 -0.559 0 CA-C-O 117.972 -1.013 . . . . 0.0 110.493 -179.967 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 0.816 'BR ' ' CA ' ' A' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 47.1 m . . . . . 0 N--CA 1.49 1.554 0 N-CA-C 109.441 -0.577 . . . . 0.0 109.441 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 46.9 t30 -63.49 -39.87 95.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.544 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -62.04 -40.97 97.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.705 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -60.76 -44.29 96.91 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.595 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 88.1 p -149.49 121.26 8.11 Favored 'General case' 0 C--N 1.332 -0.178 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.112 179.762 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.404 ' O ' HG22 ' A' ' 27' ' ' VAL . 0.8 OUTLIER -82.66 151.59 65.08 Favored Pre-proline 0 CA--C 1.535 0.382 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.329 -179.675 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -68.41 -15.76 42.42 Favored 'Trans proline' 0 N--CA 1.496 1.661 0 C-N-CA 122.677 2.251 . . . . 0.0 112.202 179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 59.6 tp -60.18 -41.36 92.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.688 -179.29 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.404 HG22 ' O ' ' A' ' 24' ' ' ASP . 2.8 m -62.42 -37.76 79.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.996 0.427 . . . . 0.0 110.504 -179.618 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.4 t -60.72 -43.86 96.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.019 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.98 -37.19 78.89 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.288 179.714 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.75 -48.28 78.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.584 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 37.8 m -61.66 -39.95 93.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.921 0.391 . . . . 0.0 110.72 179.546 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.07 -41.74 93.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.04 -0.527 . . . . 0.0 110.674 -179.899 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.545 HG23 HD11 ' B' ' 38' ' ' LEU . 86.6 mt -60.44 -43.16 93.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 C-N-CA 120.896 -0.322 . . . . 0.0 110.605 -179.518 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.04 -51.58 58.06 Favored Glycine 0 CA--C 1.525 0.718 0 C-N-CA 120.485 -0.864 . . . . 0.0 111.027 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 42.2 mm -68.3 -44.74 83.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 O-C-N 122.734 -0.274 . . . . 0.0 111.184 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.16 -47.26 85.3 Favored 'General case' 0 C--O 1.234 0.239 0 CA-C-O 120.895 0.379 . . . . 0.0 110.603 -179.407 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.543 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.4 t60 -60.79 -40.61 93.29 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.098 179.877 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.65 HD21 ' ND1' ' D' ' 37' ' ' HIS . 13.2 mt -61.1 -40.25 93.02 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.355 -178.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.7 mt -61.3 -48.68 87.81 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.511 0 C-N-CA 119.782 -0.767 . . . . 0.0 110.356 -179.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.46 ' N ' HD12 ' A' ' 40' ' ' LEU . 11.3 mp -67.07 -43.64 82.13 Favored 'General case' 0 CA--C 1.535 0.369 0 C-N-CA 120.786 -0.366 . . . . 0.0 111.25 179.585 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 76.4 t90 -67.84 -37.15 81.52 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-O 120.574 0.226 . . . . 0.0 111.223 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.31 -45.39 98.89 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 N-CA-C 109.449 -0.575 . . . . 0.0 109.449 179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 87.1 mt -63.57 -37.76 88.53 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.835 -0.62 . . . . 0.0 110.431 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.429 ' O ' ' O ' ' A' ' 48' ' ' PHE . 30.1 t70 -53.58 -48.74 68.91 Favored 'General case' 0 C--N 1.33 -0.276 0 C-N-CA 120.788 -0.365 . . . . 0.0 110.298 -179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.3 mtp180 -65.56 -36.44 83.79 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.369 -0.378 . . . . 0.0 110.885 179.274 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 59.1 tp -61.23 -43.46 98.84 Favored 'General case' 0 C--N 1.331 -0.208 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.653 -179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -90.08 -65.71 0.99 Allowed 'General case' 0 N--CA 1.465 0.29 0 CA-C-O 120.714 0.292 . . . . 0.0 111.3 -179.534 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.429 ' O ' ' O ' ' A' ' 44' ' ' ASP . 54.2 m-85 -95.86 145.59 25.25 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.4 -179.663 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 53.0 mtmt . . . . . 0 C--O 1.22 -0.489 0 CA-C-O 118.048 -0.977 . . . . 0.0 110.47 -179.881 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 46.4 m . . . . . 0 N--CA 1.492 1.664 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 47.1 t30 -63.36 -39.94 95.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.544 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 66.9 t0 -62.16 -40.59 96.49 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.815 -179.826 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -61.02 -44.22 97.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.6 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 88.6 p -149.4 121.26 8.15 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.205 179.744 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.402 ' O ' HG22 ' B' ' 27' ' ' VAL . 0.8 OUTLIER -82.69 151.6 64.99 Favored Pre-proline 0 CA--C 1.535 0.392 0 CA-C-N 116.277 -0.42 . . . . 0.0 110.402 -179.767 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -68.36 -15.66 42.46 Favored 'Trans proline' 0 N--CA 1.495 1.587 0 C-N-CA 122.713 2.275 . . . . 0.0 112.28 179.74 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.44 -41.11 93.39 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.75 -179.357 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.402 HG22 ' O ' ' B' ' 24' ' ' ASP . 2.7 m -62.25 -37.97 79.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-O 121.092 0.473 . . . . 0.0 110.373 -179.683 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.0 t -60.75 -43.93 96.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.775 -0.648 . . . . 0.0 110.056 179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.01 -37.21 79.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.39 179.625 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.34 -48.67 76.3 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.42 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 29.5 m -61.72 -40.04 93.66 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.846 179.778 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 94.8 mt -63.01 -41.71 93.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.558 -179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.554 HG23 HD11 ' C' ' 38' ' ' LEU . 86.7 mt -60.45 -43.19 93.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 C-N-CA 120.982 -0.287 . . . . 0.0 110.561 -179.45 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.0 -51.57 58.12 Favored Glycine 0 CA--C 1.527 0.803 0 C-N-CA 120.519 -0.848 . . . . 0.0 111.012 -179.836 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 42.7 mm -68.34 -44.7 83.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.241 0 C-N-CA 120.963 -0.295 . . . . 0.0 111.161 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.6 tp -62.17 -47.32 85.03 Favored 'General case' 0 C--N 1.332 -0.174 0 CA-C-O 120.985 0.421 . . . . 0.0 110.592 -179.332 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.557 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.6 t60 -60.75 -40.5 92.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.229 179.85 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.545 HD11 HG23 ' A' ' 33' ' ' ILE . 13.5 mt -61.13 -40.3 93.28 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.125 -0.489 . . . . 0.0 111.397 -179.131 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.6 mt -61.26 -48.69 87.77 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.525 0 C-N-CA 119.913 -0.715 . . . . 0.0 110.323 -179.56 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . 0.46 ' N ' HD12 ' B' ' 40' ' ' LEU . 11.3 mp -66.94 -43.66 82.62 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 120.739 -0.385 . . . . 0.0 111.286 179.491 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 77.1 t90 -67.95 -36.97 81.0 Favored 'General case' 0 C--O 1.234 0.252 0 CA-C-N 116.652 -0.249 . . . . 0.0 111.382 -179.382 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.33 -45.35 98.97 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 N-CA-C 109.387 -0.597 . . . . 0.0 109.387 179.312 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 87.4 mt -63.56 -37.84 88.83 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.356 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.432 ' O ' ' O ' ' B' ' 48' ' ' PHE . 30.2 t70 -53.75 -48.71 69.44 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.862 -0.335 . . . . 0.0 110.274 -179.712 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -65.52 -36.42 83.76 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.396 -0.366 . . . . 0.0 110.897 179.12 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 59.0 tp -61.26 -43.45 98.85 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.693 -179.325 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 65.3 m-85 -90.11 -65.79 0.98 Allowed 'General case' 0 N--CA 1.464 0.244 0 CA-C-O 120.753 0.311 . . . . 0.0 111.184 -179.49 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.432 ' O ' ' O ' ' B' ' 44' ' ' ASP . 54.2 m-85 -95.83 145.66 25.18 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.362 -0.381 . . . . 0.0 110.348 -179.57 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt . . . . . 0 C--O 1.219 -0.507 0 CA-C-O 118.019 -0.991 . . . . 0.0 110.498 -179.891 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 47.0 m . . . . . 0 N--CA 1.49 1.559 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 46.8 t30 -63.53 -39.88 95.57 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.505 -179.986 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -62.13 -40.88 97.41 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.752 -179.888 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.7 t -60.73 -44.29 96.82 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.624 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 88.6 p -149.49 121.27 8.11 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.129 179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . 0.42 ' O ' HG22 ' C' ' 27' ' ' VAL . 0.8 OUTLIER -82.69 151.66 65.08 Favored Pre-proline 0 CA--C 1.533 0.316 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.312 -179.785 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_endo -68.35 -15.81 42.7 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.737 2.291 . . . . 0.0 112.239 179.759 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 59.1 tp -60.29 -41.23 92.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.306 -0.407 . . . . 0.0 110.712 -179.31 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.42 HG22 ' O ' ' C' ' 24' ' ' ASP . 2.9 m -62.06 -38.2 80.26 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.379 0 CA-C-O 121.021 0.439 . . . . 0.0 110.334 -179.634 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.9 t -60.52 -43.95 95.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-N 115.866 -0.606 . . . . 0.0 109.999 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.24 -36.97 78.94 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.32 179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.61 -48.58 77.15 Favored 'General case' 0 C--N 1.33 -0.255 0 C-N-CA 120.832 -0.347 . . . . 0.0 110.328 179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 36.1 m -61.47 -40.14 93.45 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.804 179.736 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.0 mt -63.1 -41.78 94.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.624 -179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.542 HG23 HD11 ' D' ' 38' ' ' LEU . 88.2 mt -60.41 -43.2 93.48 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 C-N-CA 120.999 -0.28 . . . . 0.0 110.668 -179.501 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.08 -51.53 58.33 Favored Glycine 0 CA--C 1.527 0.839 0 C-N-CA 120.511 -0.852 . . . . 0.0 111.008 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 41.1 mm -68.4 -44.62 83.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.996 -0.282 . . . . 0.0 111.146 -179.95 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.0 tp -62.23 -47.25 85.23 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-O 120.906 0.384 . . . . 0.0 110.639 -179.436 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.533 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.6 t60 -60.73 -40.59 92.94 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.318 179.728 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.557 HD21 ' ND1' ' B' ' 37' ' ' HIS . 13.5 mt -61.14 -40.15 92.73 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.054 -0.521 . . . . 0.0 111.355 -179.074 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.8 mt -61.31 -48.74 87.51 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.504 0 C-N-CA 119.806 -0.758 . . . . 0.0 110.396 -179.699 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . 0.451 HD12 ' N ' ' C' ' 40' ' ' LEU . 11.3 mp -67.0 -43.53 82.66 Favored 'General case' 0 CA--C 1.535 0.37 0 C-N-CA 120.692 -0.403 . . . . 0.0 111.21 179.612 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -67.94 -37.18 81.3 Favored 'General case' 0 C--O 1.235 0.292 0 CA-C-O 120.635 0.255 . . . . 0.0 111.311 -179.359 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.15 -45.49 98.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 179.294 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 87.3 mt -63.61 -37.7 88.32 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.357 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.434 ' O ' ' O ' ' C' ' 48' ' ' PHE . 30.4 t70 -53.77 -48.69 69.5 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.826 -0.349 . . . . 0.0 110.26 -179.75 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -65.51 -36.55 84.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.848 179.112 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 58.7 tp -61.19 -43.53 98.73 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.691 -179.366 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 65.7 m-85 -89.98 -65.79 0.98 Allowed 'General case' 0 N--CA 1.465 0.293 0 CA-C-O 120.733 0.302 . . . . 0.0 111.254 -179.565 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.434 ' O ' ' O ' ' C' ' 44' ' ' ASP . 54.5 m-85 -95.76 145.55 25.23 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.399 -179.575 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 52.9 mtmt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.916 -1.04 . . . . 0.0 110.574 -179.883 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 46.9 m . . . . . 0 N--CA 1.491 1.577 0 N-CA-C 109.341 -0.615 . . . . 0.0 109.341 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 47.0 t30 -63.48 -39.97 95.86 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.547 179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -62.21 -40.64 96.77 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.756 -179.793 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -61.05 -44.17 97.8 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.578 -179.912 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 88.2 p -149.51 121.33 8.14 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.098 179.712 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . 0.412 ' O ' HG22 ' D' ' 27' ' ' VAL . 0.8 OUTLIER -82.76 151.65 64.84 Favored Pre-proline 0 CA--C 1.535 0.372 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.347 -179.698 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 52.3 Cg_endo -68.37 -15.64 42.39 Favored 'Trans proline' 0 N--CA 1.496 1.651 0 C-N-CA 122.67 2.247 . . . . 0.0 112.273 179.755 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 58.6 tp -60.45 -41.1 93.39 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.379 -0.373 . . . . 0.0 110.676 -179.322 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.412 HG22 ' O ' ' D' ' 24' ' ' ASP . 2.9 m -62.18 -38.04 79.99 Favored 'Isoleucine or valine' 0 C--O 1.235 0.308 0 CA-C-O 121.024 0.44 . . . . 0.0 110.345 -179.773 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 97.5 t -60.77 -43.92 96.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.363 0 CA-C-N 115.903 -0.589 . . . . 0.0 110.178 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.02 -37.22 79.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.125 179.719 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.409 ' HB1' ' S ' ' C' ' 100' ' ' 3LW . . . -56.46 -48.71 76.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.356 -0.383 . . . . 0.0 110.63 -179.924 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 34.1 m -61.54 -39.98 93.02 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.684 179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 95.2 mt -63.04 -41.7 93.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.713 -179.918 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.486 HG23 HD11 ' A' ' 38' ' ' LEU . 87.9 mt -60.66 -43.01 93.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 C-N-CA 120.951 -0.3 . . . . 0.0 110.503 -179.418 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.02 -51.69 57.35 Favored Glycine 0 CA--C 1.526 0.727 0 N-CA-C 110.924 -0.871 . . . . 0.0 110.924 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 41.7 mm -68.3 -44.67 83.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 O-C-N 122.755 -0.262 . . . . 0.0 111.135 -179.884 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.23 -47.24 85.29 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-O 120.886 0.374 . . . . 0.0 110.568 -179.371 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.65 ' ND1' HD21 ' A' ' 38' ' ' LEU . 9.0 t60 -60.83 -40.5 93.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.259 179.817 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.542 HD11 HG23 ' C' ' 33' ' ' ILE . 13.4 mt -61.15 -40.33 93.45 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.316 -179.046 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.5 mt -61.26 -48.74 87.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 C-N-CA 119.847 -0.741 . . . . 0.0 110.35 -179.663 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . 0.453 ' N ' HD12 ' D' ' 40' ' ' LEU . 11.3 mp -67.01 -43.57 82.52 Favored 'General case' 0 CA--C 1.535 0.372 0 C-N-CA 120.671 -0.411 . . . . 0.0 111.26 179.58 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 76.7 t90 -67.93 -37.09 81.21 Favored 'General case' 0 C--O 1.234 0.251 0 CA-C-N 116.706 -0.224 . . . . 0.0 111.258 -179.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 3.1 mm -62.32 -45.46 98.71 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 179.34 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 87.2 mt -63.44 -37.84 88.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.45 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.425 ' O ' ' O ' ' D' ' 48' ' ' PHE . 30.1 t70 -53.64 -48.67 69.16 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.784 -0.366 . . . . 0.0 110.337 -179.787 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -65.59 -36.45 83.8 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.863 179.158 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 58.8 tp -61.11 -43.63 98.59 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.749 -179.41 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 65.6 m-85 -90.02 -65.73 0.99 Allowed 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 120.712 0.292 . . . . 0.0 111.248 -179.469 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.425 ' O ' ' O ' ' D' ' 44' ' ' ASP . 54.2 m-85 -95.79 145.63 25.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.35 -0.387 . . . . 0.0 110.398 -179.616 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 53.1 mtmt . . . . . 0 C--O 1.219 -0.518 0 CA-C-O 117.999 -1.0 . . . . 0.0 110.48 -179.932 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 0.409 ' S ' ' HB1' ' D' ' 30' ' ' ALA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.489 1.516 0 N-CA-C 109.378 -0.601 . . . . 0.0 109.378 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.19 -41.65 99.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.633 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 95.8 m-20 -63.69 -40.63 97.28 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.855 0.359 . . . . 0.0 110.878 179.979 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 83.5 p -78.84 -6.38 55.91 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.675 -179.681 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 60.7 p -61.48 -38.09 86.01 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.647 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 28.3 m-20 -67.75 147.5 98.6 Favored Pre-proline 0 CA--C 1.534 0.334 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.719 -179.147 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 56.7 Cg_endo -69.75 -17.71 37.48 Favored 'Trans proline' 0 N--CA 1.493 1.486 0 C-N-CA 122.58 2.186 . . . . 0.0 111.958 179.769 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 92.8 mt -63.08 -43.86 97.36 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.354 -0.384 . . . . 0.0 110.883 -179.027 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.2 t -65.52 -49.6 77.15 Favored 'Isoleucine or valine' 0 C--O 1.234 0.273 0 CA-C-O 121.068 0.461 . . . . 0.0 110.72 179.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.51 -45.51 92.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.554 -179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.35 -39.13 82.22 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.523 -179.515 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . 0.502 ' O ' 'BR ' ' C' ' 100' ' ' 3LW . . . -56.13 -51.05 69.34 Favored 'General case' 0 C--N 1.33 -0.269 0 C-N-CA 120.705 -0.398 . . . . 0.0 110.469 -179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 20.4 m -62.94 -37.88 88.81 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.515 179.444 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.97 -43.0 98.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.474 -179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.595 HG23 HD11 ' B' ' 38' ' ' LEU . 81.1 mt -59.7 -44.76 94.37 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 C-N-CA 120.618 -0.433 . . . . 0.0 110.468 -179.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.956 ' CA ' 'BR ' ' C' ' 100' ' ' 3LW . . . -64.37 -43.63 96.55 Favored Glycine 0 CA--C 1.527 0.815 0 C-N-CA 120.516 -0.85 . . . . 0.0 111.325 179.883 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 94.3 mt -69.48 -52.46 32.3 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.263 0 N-CA-C 111.934 0.346 . . . . 0.0 111.934 -179.234 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.85 -42.72 97.51 Favored 'General case' 0 N--CA 1.465 0.302 0 CA-C-N 116.512 -0.313 . . . . 0.0 111.116 -179.34 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.545 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -59.94 -41.39 91.74 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 109.984 -0.376 . . . . 0.0 109.984 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.662 HD11 HG23 ' D' ' 33' ' ' ILE . 14.6 mt -61.72 -39.44 91.55 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.28 -179.563 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.95 -48.85 86.19 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 C-N-CA 119.975 -0.69 . . . . 0.0 110.423 -179.385 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 91.8 mt -70.51 -43.43 69.68 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-O 120.862 0.363 . . . . 0.0 110.966 179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.533 ' CH2' ' NH1' ' A' ' 45' ' ' ARG . 79.5 t90 -65.84 -36.98 84.99 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.086 -179.711 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 2.8 mm -62.24 -44.32 98.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 N-CA-C 109.942 -0.392 . . . . 0.0 109.942 179.729 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 75.6 mt -61.12 -39.86 91.58 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.346 -0.388 . . . . 0.0 110.568 -179.559 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 64.1 t0 -57.21 -44.3 83.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.425 179.809 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.533 ' NH1' ' CH2' ' A' ' 41' ' ' TRP . 47.7 mmm-85 -60.93 -31.24 70.78 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.79 179.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.3 tt -60.16 -44.96 94.6 Favored 'General case' 0 C--N 1.33 -0.28 0 N-CA-C 109.974 -0.38 . . . . 0.0 109.974 -178.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -61.44 -45.94 92.17 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.452 -0.34 . . . . 0.0 110.673 179.499 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.428 ' O ' ' O ' ' A' ' 45' ' ' ARG . 97.0 m-85 -137.14 141.91 42.24 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 116.407 -0.36 . . . . 0.0 110.356 179.794 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.222 -0.377 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.408 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.491 1.617 0 N-CA-C 109.287 -0.635 . . . . 0.0 109.287 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . 0.4 ' O ' ' OG ' ' B' ' 23' ' ' SER . 99.1 m-20 -63.21 -41.56 99.15 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.699 179.823 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 95.1 m-20 -63.82 -40.42 96.56 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.801 180.0 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 83.4 p -78.98 -6.28 55.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.663 -179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 0.4 ' OG ' ' O ' ' B' ' 20' ' ' ASN . 60.7 p -61.47 -38.03 85.79 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.278 -0.419 . . . . 0.0 110.624 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -67.89 147.59 98.5 Favored Pre-proline 0 CA--C 1.535 0.379 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.653 -179.086 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -70.03 -17.47 36.33 Favored 'Trans proline' 0 N--CA 1.495 1.567 0 C-N-CA 122.38 2.054 . . . . 0.0 112.016 179.731 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 92.9 mt -63.0 -43.93 97.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.428 -0.351 . . . . 0.0 110.927 -179.082 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 71.0 t -65.68 -49.53 77.08 Favored 'Isoleucine or valine' 0 C--O 1.235 0.33 0 CA-C-O 120.981 0.419 . . . . 0.0 110.642 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 95.8 t -65.36 -45.56 92.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 115.977 -0.556 . . . . 0.0 110.555 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.23 -39.45 82.78 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.472 -179.517 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.88 -51.15 68.57 Favored 'General case' 0 C--N 1.328 -0.328 0 C-N-CA 120.841 -0.344 . . . . 0.0 110.406 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 20.9 m -62.99 -37.77 88.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.583 179.524 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.02 -43.19 98.92 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.409 -179.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.651 HG23 HD11 ' C' ' 38' ' ' LEU . 81.7 mt -59.48 -44.77 93.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 C-N-CA 120.601 -0.44 . . . . 0.0 110.679 -179.341 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.54 -43.39 96.64 Favored Glycine 0 CA--C 1.527 0.841 0 C-N-CA 120.441 -0.885 . . . . 0.0 111.449 179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 95.2 mt -69.49 -52.36 33.27 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.217 0 N-CA-C 111.856 0.317 . . . . 0.0 111.856 -179.392 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -63.98 -42.73 97.15 Favored 'General case' 0 N--CA 1.465 0.318 0 CA-C-N 116.501 -0.318 . . . . 0.0 111.15 -179.239 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.572 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -59.81 -41.29 90.91 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-N 116.332 -0.394 . . . . 0.0 110.084 179.914 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.595 HD11 HG23 ' A' ' 33' ' ' ILE . 14.5 mt -61.89 -39.51 92.2 Favored 'General case' 0 C--N 1.331 -0.234 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.246 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 96.1 mt -59.82 -48.97 85.62 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.709 0 C-N-CA 120.094 -0.642 . . . . 0.0 110.374 -179.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 91.3 mt -70.5 -43.49 69.58 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.948 0.404 . . . . 0.0 111.002 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.529 ' CH2' ' NH1' ' B' ' 45' ' ' ARG . 79.5 t90 -65.82 -36.83 84.57 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.151 -179.777 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mm -62.24 -44.49 99.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 N-CA-C 109.798 -0.445 . . . . 0.0 109.798 179.76 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 75.3 mt -61.09 -39.87 91.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.415 -0.357 . . . . 0.0 110.483 -179.48 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 64.5 t0 -57.16 -44.12 83.19 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.848 0.356 . . . . 0.0 110.517 179.814 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.529 ' NH1' ' CH2' ' B' ' 41' ' ' TRP . 47.9 mmm-85 -61.11 -31.31 71.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.634 179.905 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.619 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.2 tt -60.13 -44.98 94.51 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 109.978 -0.378 . . . . 0.0 109.978 -179.002 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -61.42 -45.97 92.06 Favored 'General case' 0 C--N 1.329 -0.31 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.665 179.46 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' B' ' 45' ' ' ARG . 97.0 m-85 -137.25 141.52 42.01 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.383 179.83 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 118.054 -0.974 . . . . 0.0 110.438 179.963 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 4.8 t . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.38 -0.6 . . . . 0.0 109.38 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 98.2 m-20 -63.4 -41.63 98.76 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.488 -179.87 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 94.7 m-20 -63.99 -40.42 96.35 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.82 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 83.4 p -78.79 -6.33 55.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.699 -179.849 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 60.8 p -61.58 -38.02 86.0 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.697 -179.889 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 28.5 m-20 -67.91 147.63 98.49 Favored Pre-proline 0 CA--C 1.533 0.32 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.736 -179.205 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -69.94 -17.58 36.68 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.485 2.123 . . . . 0.0 112.02 179.798 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 93.0 mt -63.06 -43.94 97.2 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.836 -179.028 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 72.5 t -65.48 -49.6 77.28 Favored 'Isoleucine or valine' 0 C--O 1.234 0.281 0 CA-C-O 121.073 0.463 . . . . 0.0 110.71 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 94.5 t -65.38 -45.5 92.98 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.226 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.544 -179.926 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.33 -39.43 83.1 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.471 -179.521 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.83 -51.37 67.71 Favored 'General case' 0 C--N 1.327 -0.375 0 C-N-CA 120.813 -0.355 . . . . 0.0 110.287 -179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 20.3 m -62.91 -37.75 88.22 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.299 -0.409 . . . . 0.0 110.612 179.568 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -63.05 -43.08 98.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.42 -179.537 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.605 HG23 HD11 ' D' ' 38' ' ' LEU . 81.3 mt -59.69 -44.69 94.19 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.536 -0.465 . . . . 0.0 110.531 -179.263 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.4 -43.58 96.57 Favored Glycine 0 CA--C 1.528 0.905 0 C-N-CA 120.474 -0.869 . . . . 0.0 111.375 179.794 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 94.7 mt -69.46 -52.32 33.68 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.222 0 N-CA-C 111.962 0.356 . . . . 0.0 111.962 -179.336 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.02 -42.77 97.02 Favored 'General case' 0 N--CA 1.466 0.347 0 CA-C-N 116.508 -0.315 . . . . 0.0 111.018 -179.288 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.565 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.8 t60 -59.74 -41.38 90.83 Favored 'General case' 0 C--N 1.325 -0.499 0 C-N-CA 120.839 -0.344 . . . . 0.0 110.097 179.984 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.651 HD11 HG23 ' B' ' 33' ' ' ILE . 14.7 mt -61.84 -39.45 91.87 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.182 -179.557 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 96.2 mt -59.9 -48.86 86.12 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.681 0 C-N-CA 120.046 -0.662 . . . . 0.0 110.431 -179.364 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 91.6 mt -70.47 -43.52 69.63 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-O 120.988 0.423 . . . . 0.0 111.069 179.921 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.526 ' CH2' ' NH1' ' C' ' 45' ' ' ARG . 79.4 t90 -65.95 -36.74 84.18 Favored 'General case' 0 C--O 1.233 0.186 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.117 -179.697 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mm -62.31 -44.41 99.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 N-CA-C 109.842 -0.429 . . . . 0.0 109.842 179.697 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 75.3 mt -61.07 -39.89 91.59 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.432 -0.349 . . . . 0.0 110.498 -179.481 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 64.4 t0 -57.18 -44.16 83.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.943 0.402 . . . . 0.0 110.453 179.856 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.526 ' NH1' ' CH2' ' C' ' 41' ' ' TRP . 47.9 mmm-85 -61.05 -31.29 70.94 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.723 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.606 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.3 tt -60.17 -44.87 94.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.892 0.377 . . . . 0.0 110.016 -178.933 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -61.54 -45.82 92.57 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.706 179.482 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' C' ' 45' ' ' ARG . 97.0 m-85 -137.24 141.7 42.03 Favored 'General case' 0 N--CA 1.464 0.266 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.42 179.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.498 0 CA-C-O 118.09 -0.957 . . . . 0.0 110.45 179.89 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 4.9 t . . . . . 0 N--CA 1.49 1.568 0 N-CA-C 109.283 -0.636 . . . . 0.0 109.283 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.3 -41.52 98.97 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.723 179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 93.6 m-20 -63.84 -40.5 96.74 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.821 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 83.4 p -78.95 -6.37 56.08 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.651 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 60.6 p -61.58 -37.9 85.57 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.663 -179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 27.8 m-20 -67.95 147.7 98.45 Favored Pre-proline 0 CA--C 1.534 0.35 0 CA-C-N 116.311 -0.404 . . . . 0.0 110.666 -179.143 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 56.6 Cg_endo -70.01 -17.53 36.4 Favored 'Trans proline' 0 N--CA 1.493 1.465 0 C-N-CA 122.463 2.109 . . . . 0.0 112.028 179.753 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 92.7 mt -62.99 -43.96 97.35 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.844 -179.113 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 73.9 t -65.62 -49.55 77.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-O 120.975 0.417 . . . . 0.0 110.694 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 96.5 t -65.32 -45.68 92.68 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.248 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.492 -179.927 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.04 -39.35 81.7 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.516 -179.546 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -56.0 -51.24 68.45 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.335 -0.393 . . . . 0.0 110.356 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 21.0 m -62.96 -37.91 89.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.565 179.531 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 4.6 mm -62.93 -43.07 98.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.45 -179.529 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.662 HG23 HD11 ' A' ' 38' ' ' LEU . 80.4 mt -59.55 -44.74 93.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.395 0 C-N-CA 120.523 -0.471 . . . . 0.0 110.71 -179.389 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.57 -43.55 96.36 Favored Glycine 0 CA--C 1.527 0.829 0 C-N-CA 120.479 -0.867 . . . . 0.0 111.273 179.854 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 94.6 mt -69.46 -52.34 33.52 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.246 0 N-CA-C 111.93 0.344 . . . . 0.0 111.93 -179.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -64.03 -42.61 97.05 Favored 'General case' 0 N--CA 1.466 0.356 0 CA-C-N 116.546 -0.297 . . . . 0.0 111.056 -179.317 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.603 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.9 t60 -60.01 -41.28 91.8 Favored 'General case' 0 C--N 1.325 -0.493 0 C-N-CA 120.748 -0.381 . . . . 0.0 109.982 -179.927 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.605 HD11 HG23 ' C' ' 33' ' ' ILE . 14.5 mt -61.79 -39.54 92.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.196 -179.571 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 96.0 mt -59.84 -49.01 85.48 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.667 0 C-N-CA 120.075 -0.65 . . . . 0.0 110.37 -179.301 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 91.2 mt -70.48 -43.46 69.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.372 -0.376 . . . . 0.0 111.001 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.529 ' CH2' ' NH1' ' D' ' 45' ' ' ARG . 79.4 t90 -65.81 -36.9 84.8 Favored 'General case' 0 C--N 1.331 -0.233 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.128 -179.741 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 2.7 mm -62.2 -44.4 99.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 N-CA-C 109.913 -0.403 . . . . 0.0 109.913 179.759 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 75.0 mt -61.09 -39.94 91.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.347 -0.388 . . . . 0.0 110.484 -179.556 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 64.2 t0 -57.16 -44.22 83.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.831 0.348 . . . . 0.0 110.414 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.529 ' NH1' ' CH2' ' D' ' 41' ' ' TRP . 47.5 mmm-85 -60.89 -31.47 70.95 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.722 179.765 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.619 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.3 tt -60.08 -44.91 94.43 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.901 0.381 . . . . 0.0 110.001 -178.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -61.43 -46.09 91.56 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.44 -0.346 . . . . 0.0 110.581 179.528 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' D' ' 45' ' ' ARG . 97.0 m-85 -137.08 141.85 42.37 Favored 'General case' 0 N--CA 1.464 0.235 0 CA-C-N 116.436 -0.347 . . . . 0.0 110.392 179.85 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 98.9 mttt . . . . . 0 C--O 1.22 -0.457 0 CA-C-O 117.986 -1.007 . . . . 0.0 110.486 179.888 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 0.956 'BR ' ' CA ' ' A' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . 0.408 ' O ' ' OG ' ' A' ' 22' ' ' SER . 19.6 m . . . . . 0 N--CA 1.491 1.614 0 N-CA-C 109.28 -0.637 . . . . 0.0 109.28 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.41 -41.03 98.71 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.624 179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 42.2 p-10 -68.19 -22.61 64.81 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.681 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.408 ' OG ' ' O ' ' A' ' 19' ' ' SER . 80.2 p -82.15 -2.98 53.94 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.517 -179.871 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -59.47 -43.49 93.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.473 -179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.495 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 3.4 m-20 -102.15 104.62 37.8 Favored Pre-proline 0 CA--C 1.54 0.558 0 CA-C-N 116.357 -0.383 . . . . 0.0 110.606 179.796 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 60.9 Cg_endo -75.6 -16.87 18.69 Favored 'Trans proline' 0 N--CA 1.493 1.47 0 C-N-CA 122.488 2.125 . . . . 0.0 112.058 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 90.7 mt -63.08 -44.29 96.14 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.745 -179.358 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 88.9 t -64.93 -45.99 93.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.357 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.4 t -63.53 -44.94 98.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.499 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.58 -39.97 89.99 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.494 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.39 -48.6 74.08 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.434 -0.348 . . . . 0.0 110.67 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 75.5 p -64.72 -40.15 94.86 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.774 179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.0 mt -64.93 -42.86 95.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.607 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 71.2 mt -61.04 -44.35 98.06 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.735 -179.375 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.65 -51.82 33.69 Favored Glycine 0 CA--C 1.524 0.643 0 C-N-CA 120.732 -0.747 . . . . 0.0 111.408 -179.607 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.42 -44.59 94.4 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-O 120.729 0.299 . . . . 0.0 110.881 -179.528 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.4 tp -62.5 -44.67 95.8 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-O 120.963 0.411 . . . . 0.0 110.963 -179.017 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.638 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.7 t60 -62.14 -40.06 94.68 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.406 -179.817 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.661 HD21 ' ND1' ' D' ' 37' ' ' HIS . 13.5 mt -61.64 -38.87 89.3 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.901 -179.517 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.17 -44.31 98.09 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 C-N-CA 120.305 -0.558 . . . . 0.0 110.388 -179.583 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 94.1 mt -74.38 -41.37 61.09 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 121.108 0.48 . . . . 0.0 111.189 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 80.4 t90 -70.27 -46.21 64.82 Favored 'General case' 0 C--N 1.324 -0.508 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.896 -179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.561 HG22 ' O ' ' A' ' 38' ' ' LEU . 10.8 tp -61.47 -38.58 80.41 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.751 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.306 -179.109 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 30.2 mt -62.08 -39.88 93.95 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.227 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.471 ' CG ' ' NH1' ' B' ' 45' ' ' ARG . 43.9 t0 -61.91 -39.23 91.3 Favored 'General case' 0 C--N 1.322 -0.606 0 C-N-CA 120.544 -0.462 . . . . 0.0 110.533 -179.966 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.459 ' NH1' ' CG ' ' D' ' 44' ' ' ASP . 18.6 mmm180 -79.95 -16.83 54.44 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.972 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 44.9 tp -61.83 -44.5 96.72 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.444 -179.403 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 77.0 m-85 -86.87 -37.8 17.37 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.755 -179.745 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' A' ' 45' ' ' ARG . 40.4 m-85 -99.75 133.12 44.56 Favored 'General case' 0 N--CA 1.464 0.246 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.54 -179.922 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.987 -1.006 . . . . 0.0 110.649 -179.897 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 19.9 m . . . . . 0 N--CA 1.491 1.592 0 N-CA-C 109.348 -0.612 . . . . 0.0 109.348 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.78 -40.85 97.67 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.591 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 41.6 p-10 -68.02 -22.67 64.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.616 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 77.2 p -82.37 -2.51 53.18 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.556 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -59.7 -43.45 94.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.433 179.993 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.485 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 3.3 m-20 -102.15 104.49 36.95 Favored Pre-proline 0 CA--C 1.54 0.569 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.648 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.29 -17.23 19.09 Favored 'Trans proline' 0 N--CA 1.495 1.565 0 C-N-CA 122.488 2.125 . . . . 0.0 112.125 -179.261 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 90.8 mt -62.99 -43.93 97.43 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.815 -179.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 90.7 t -65.34 -45.59 92.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.575 179.83 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 94.2 t -64.0 -44.4 97.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.404 -179.846 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.2 -39.76 91.43 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.483 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.65 -48.64 74.65 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 116.431 -0.349 . . . . 0.0 110.621 -179.867 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 71.9 p -64.61 -40.29 95.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.739 179.866 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.404 ' O ' ' CB ' ' B' ' 36' ' ' LEU . 95.9 mt -64.76 -42.98 96.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.603 179.933 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 70.3 mt -60.95 -44.35 97.87 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 C-N-CA 120.801 -0.36 . . . . 0.0 110.856 -179.335 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.42 -52.06 33.31 Favored Glycine 0 CA--C 1.524 0.651 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.472 -179.711 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.13 -44.7 95.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-O 120.75 0.31 . . . . 0.0 110.841 -179.537 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.404 ' CB ' ' O ' ' B' ' 32' ' ' ILE . 56.9 tp -62.44 -44.88 95.35 Favored 'General case' 0 C--N 1.325 -0.471 0 CA-C-O 120.962 0.411 . . . . 0.0 110.946 -179.025 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.622 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.4 t60 -61.88 -40.23 94.69 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-N 115.971 -0.558 . . . . 0.0 110.372 -179.742 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.638 HD21 ' ND1' ' A' ' 37' ' ' HIS . 13.7 mt -61.48 -38.81 88.62 Favored 'General case' 0 C--O 1.218 -0.573 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.057 -179.531 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.1 -44.32 98.05 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.9 0 C-N-CA 120.186 -0.606 . . . . 0.0 110.278 -179.615 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 93.7 mt -74.31 -41.36 61.26 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 121.147 0.498 . . . . 0.0 111.291 179.975 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 80.1 t90 -70.34 -46.32 64.41 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 115.865 -0.607 . . . . 0.0 111.855 -179.116 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.557 HG22 ' O ' ' B' ' 38' ' ' LEU . 10.6 tp -61.26 -38.78 80.6 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.685 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.379 -179.193 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 29.1 mt -61.9 -39.95 93.73 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.248 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.456 ' CG ' ' NH1' ' C' ' 45' ' ' ARG . 42.5 t0 -62.06 -39.17 91.48 Favored 'General case' 0 C--N 1.324 -0.525 0 C-N-CA 120.531 -0.468 . . . . 0.0 110.506 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.471 ' NH1' ' CG ' ' A' ' 44' ' ' ASP . 18.7 mmm180 -79.79 -16.95 54.53 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.3 -0.409 . . . . 0.0 110.839 -179.858 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 44.6 tp -61.73 -44.55 96.7 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.445 -179.427 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 77.3 m-85 -86.85 -37.51 17.66 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.875 -179.747 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.408 ' O ' ' O ' ' B' ' 45' ' ' ARG . 40.6 m-85 -100.09 133.07 45.03 Favored 'General case' 0 N--CA 1.464 0.242 0 CA-C-O 120.988 0.423 . . . . 0.0 110.453 -179.941 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt . . . . . 0 C--O 1.22 -0.478 0 CA-C-O 118.035 -0.983 . . . . 0.0 110.692 -179.919 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.49 1.529 0 N-CA-C 109.363 -0.606 . . . . 0.0 109.363 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 99.2 m-20 -63.76 -40.74 97.44 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.461 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 43.1 p-10 -68.3 -22.64 64.71 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.627 179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 78.0 p -82.33 -2.43 52.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.515 -179.829 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 11.7 t -59.84 -43.42 94.61 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.43 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . 0.5 ' N ' ' OD1' ' C' ' 24' ' ' ASP . 3.3 m-20 -102.17 104.59 37.66 Favored Pre-proline 0 CA--C 1.54 0.582 0 CA-C-N 116.297 -0.411 . . . . 0.0 110.651 179.819 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 61.3 Cg_endo -75.56 -16.7 18.85 Favored 'Trans proline' 0 N--CA 1.493 1.493 0 C-N-CA 122.397 2.064 . . . . 0.0 112.112 -179.177 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 91.2 mt -63.24 -44.23 95.78 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.766 -179.379 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 90.4 t -65.11 -45.73 93.31 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.439 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 93.1 t -63.83 -44.48 98.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.24 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.506 -179.891 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.74 -40.68 93.33 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.491 179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.79 -48.94 72.1 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.396 -0.365 . . . . 0.0 110.633 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 73.0 p -64.35 -40.44 95.88 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.794 179.85 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.405 ' O ' ' CB ' ' C' ' 36' ' ' LEU . 96.3 mt -64.67 -42.9 96.35 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.007 -0.542 . . . . 0.0 110.646 179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 71.3 mt -61.01 -44.26 97.85 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.788 -179.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -67.6 -51.84 33.82 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.408 -179.68 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.2 mt -65.48 -44.52 94.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-O 120.7 0.286 . . . . 0.0 110.786 -179.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.405 ' CB ' ' O ' ' C' ' 32' ' ' ILE . 56.4 tp -62.57 -44.81 95.39 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-O 120.995 0.426 . . . . 0.0 111.056 -179.013 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.661 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -62.12 -39.93 94.19 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.317 -179.718 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.622 HD21 ' ND1' ' B' ' 37' ' ' HIS . 13.5 mt -61.67 -38.78 89.04 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.995 -179.556 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 90.3 mt -61.33 -44.25 98.11 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.892 0 C-N-CA 120.315 -0.554 . . . . 0.0 110.299 -179.597 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 94.0 mt -74.44 -41.62 60.54 Favored 'General case' 0 C--N 1.32 -0.678 0 C-N-CA 120.517 -0.473 . . . . 0.0 111.159 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -69.87 -46.51 65.34 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 115.936 -0.574 . . . . 0.0 111.876 -179.19 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.567 HG22 ' O ' ' C' ' 38' ' ' LEU . 10.7 tp -61.47 -38.34 79.86 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.72 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.33 -179.117 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 28.1 mt -62.24 -39.74 93.85 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.147 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.481 ' CG ' ' NH1' ' D' ' 45' ' ' ARG . 43.2 t0 -62.01 -39.49 92.44 Favored 'General case' 0 C--N 1.321 -0.643 0 C-N-CA 120.616 -0.433 . . . . 0.0 110.555 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.456 ' NH1' ' CG ' ' B' ' 44' ' ' ASP . 18.5 mmm180 -79.62 -17.09 54.6 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.916 -179.89 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 44.9 tp -61.45 -44.87 96.34 Favored 'General case' 0 C--N 1.323 -0.552 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.4 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -86.57 -37.96 17.62 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.749 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.414 ' O ' ' O ' ' C' ' 45' ' ' ARG . 40.4 m-85 -99.72 132.98 44.72 Favored 'General case' 0 N--CA 1.465 0.284 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.498 -179.88 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 20.9 ptmt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.935 -1.031 . . . . 0.0 110.641 -179.978 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 19.8 m . . . . . 0 N--CA 1.491 1.615 0 N-CA-C 109.281 -0.637 . . . . 0.0 109.281 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.0 m-20 -63.84 -40.9 97.68 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.591 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 42.8 p-10 -68.26 -22.45 64.75 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.698 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 77.0 p -82.2 -3.04 54.22 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.526 -179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 11.6 t -59.43 -43.59 93.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.445 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . 0.489 ' N ' ' OD1' ' D' ' 24' ' ' ASP . 3.4 m-20 -102.08 104.4 36.12 Favored Pre-proline 0 CA--C 1.54 0.572 0 CA-C-N 116.447 -0.342 . . . . 0.0 110.637 179.875 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 61.1 Cg_endo -75.32 -17.23 19.02 Favored 'Trans proline' 0 N--CA 1.493 1.485 0 C-N-CA 122.44 2.093 . . . . 0.0 112.093 -179.153 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 90.9 mt -62.81 -44.11 97.01 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.801 -179.297 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 90.7 t -65.27 -45.48 93.48 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-N 116.067 -0.515 . . . . 0.0 110.475 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 94.0 t -64.0 -44.88 97.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.42 -179.86 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.47 -40.39 91.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.53 179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.96 -49.15 72.1 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.705 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 74.3 p -64.26 -40.2 95.5 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.725 179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.404 ' O ' ' CB ' ' D' ' 36' ' ' LEU . 96.1 mt -64.83 -42.86 96.03 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.658 179.925 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 71.0 mt -60.98 -44.58 98.43 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 C-N-CA 120.871 -0.332 . . . . 0.0 110.77 -179.376 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . 1.03 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -67.19 -52.05 34.45 Favored Glycine 0 CA--C 1.525 0.704 0 C-N-CA 120.745 -0.741 . . . . 0.0 111.299 -179.532 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.43 -44.48 94.38 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 C-N-CA 120.938 -0.305 . . . . 0.0 110.94 -179.435 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . 0.404 ' CB ' ' O ' ' D' ' 32' ' ' ILE . 57.4 tp -62.47 -44.59 96.02 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-O 121.064 0.459 . . . . 0.0 111.034 -179.126 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.661 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.6 t60 -62.43 -39.78 94.44 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.373 -179.675 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.661 HD21 ' ND1' ' C' ' 37' ' ' HIS . 13.4 mt -61.84 -38.93 90.03 Favored 'General case' 0 C--O 1.218 -0.553 0 CA-C-N 116.053 -0.521 . . . . 0.0 110.886 -179.502 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 90.1 mt -61.06 -44.31 98.0 Favored 'Isoleucine or valine' 0 C--N 1.314 -0.937 0 C-N-CA 120.328 -0.549 . . . . 0.0 110.339 -179.636 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 94.0 mt -74.38 -41.23 61.32 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.102 0.477 . . . . 0.0 111.256 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 80.2 t90 -70.34 -46.49 64.07 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.827 -179.108 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.566 HG22 ' O ' ' D' ' 38' ' ' LEU . 10.8 tp -61.32 -38.51 80.05 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.665 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.246 -179.086 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 29.2 mt -62.12 -39.96 94.29 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.239 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.459 ' CG ' ' NH1' ' A' ' 45' ' ' ARG . 43.3 t0 -61.97 -39.02 90.71 Favored 'General case' 0 C--N 1.324 -0.502 0 C-N-CA 120.587 -0.445 . . . . 0.0 110.535 179.998 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.481 ' NH1' ' CG ' ' C' ' 44' ' ' ASP . 18.6 mmm180 -80.08 -16.62 54.64 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.995 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 44.3 tp -61.98 -44.34 96.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.438 -179.496 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -87.14 -37.68 17.13 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.31 -0.405 . . . . 0.0 110.754 -179.697 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 40.7 m-85 -99.88 132.77 45.03 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 120.918 0.39 . . . . 0.0 110.559 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 21.0 ptmt . . . . . 0 C--O 1.22 -0.497 0 CA-C-O 117.925 -1.036 . . . . 0.0 110.646 -179.993 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 1.03 'BR ' ' HA3' ' D' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 6.8 p . . . . . 0 N--CA 1.491 1.59 0 N-CA-C 109.372 -0.603 . . . . 0.0 109.372 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.1 -39.16 93.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.494 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -60.92 -41.35 95.98 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.477 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 8.6 t -59.88 -43.43 94.77 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.578 179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 42.0 m -142.61 113.98 7.83 Favored 'General case' 0 C--N 1.331 -0.225 0 CA-C-O 120.809 0.338 . . . . 0.0 110.359 179.872 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.475 ' OD1' ' N ' ' A' ' 24' ' ' ASP . 0.3 OUTLIER -85.13 153.55 59.78 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.351 -179.707 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 40.5 Cg_endo -66.52 -17.34 53.12 Favored 'Trans proline' 0 N--CA 1.496 1.639 0 C-N-CA 122.83 2.354 . . . . 0.0 111.952 179.215 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.526 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.3 mp -61.88 -41.8 98.3 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.303 -0.408 . . . . 0.0 110.431 -179.534 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 90.0 t -62.92 -48.81 86.24 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.385 0 CA-C-O 121.027 0.441 . . . . 0.0 110.598 -179.782 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 88.2 t -65.49 -43.86 94.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.068 -0.514 . . . . 0.0 110.253 179.883 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.49 -38.7 90.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.579 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.67 -49.89 71.71 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.559 -179.836 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 59.1 m -62.59 -41.78 99.16 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.328 -0.396 . . . . 0.0 110.769 179.837 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 96.5 mt -63.58 -42.4 95.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 115.962 -0.563 . . . . 0.0 110.546 -179.876 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.541 HG23 HD11 ' B' ' 38' ' ' LEU . 70.7 mt -61.24 -43.94 97.43 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 C-N-CA 120.762 -0.375 . . . . 0.0 110.753 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.78 -53.5 37.5 Favored Glycine 0 CA--C 1.525 0.698 0 C-N-CA 120.638 -0.792 . . . . 0.0 111.207 -179.529 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.92 -44.44 92.54 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.837 0.351 . . . . 0.0 110.949 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.1 tp -62.07 -44.74 96.03 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.008 -179.008 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.694 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -63.5 -39.29 94.06 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.034 -0.53 . . . . 0.0 110.293 -179.801 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.629 ' O ' HG22 ' A' ' 42' ' ' ILE . 11.7 mt -61.54 -39.75 92.2 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.178 -179.665 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 94.4 mt -62.02 -44.22 98.66 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.672 0 C-N-CA 120.382 -0.527 . . . . 0.0 110.364 -179.451 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 51.1 mt -73.31 -42.8 61.95 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-O 121.028 0.442 . . . . 0.0 110.987 179.881 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 74.7 t90 -69.11 -48.17 63.25 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.993 -0.549 . . . . 0.0 111.769 -179.151 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.629 HG22 ' O ' ' A' ' 38' ' ' LEU . 17.9 tt -61.76 -35.79 69.76 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-O 120.936 0.398 . . . . 0.0 110.077 -179.343 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.66 -43.01 99.66 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.949 -0.568 . . . . 0.0 110.345 -179.597 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.438 ' O ' ' CD2' ' A' ' 48' ' ' PHE . 99.1 m-20 -64.52 -38.44 91.01 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.713 -179.803 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' A' ' 48' ' ' PHE . 21.7 mmt85 -84.8 -8.43 58.81 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.587 -179.629 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.38 -47.2 85.19 Favored 'General case' 0 C--N 1.326 -0.454 0 C-N-CA 120.383 -0.527 . . . . 0.0 110.481 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -78.18 -37.62 45.29 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.916 -179.813 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 44' ' ' ASP . 1.6 m-85 -94.43 124.47 38.48 Favored 'General case' 0 C--N 1.331 -0.206 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.46 -179.348 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? . . . . . 0 C--O 1.221 -0.415 0 CA-C-O 117.863 -1.065 . . . . 0.0 110.668 -179.97 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 7.8 p . . . . . 0 N--CA 1.491 1.582 0 N-CA-C 109.347 -0.612 . . . . 0.0 109.347 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.71 -38.66 91.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.466 179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.53 -41.21 97.0 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.521 -179.737 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 19.5 t -60.21 -43.4 96.01 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.459 -179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 41.0 m -142.4 113.69 7.72 Favored 'General case' 0 N--CA 1.464 0.241 0 CA-C-O 120.854 0.359 . . . . 0.0 110.284 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.478 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 0.3 OUTLIER -84.96 153.54 60.26 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.376 -179.691 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.63 -17.44 52.8 Favored 'Trans proline' 0 N--CA 1.496 1.629 0 C-N-CA 122.755 2.303 . . . . 0.0 111.871 179.342 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.531 ' N ' HD12 ' B' ' 26' ' ' LEU . 10.2 mp -61.7 -41.88 98.19 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.384 -0.371 . . . . 0.0 110.546 -179.627 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 95.9 t -62.86 -48.79 86.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.403 0 CA-C-O 120.922 0.391 . . . . 0.0 110.519 -179.755 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 86.8 t -65.6 -43.82 93.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.262 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.46 -38.64 90.59 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.046 -0.525 . . . . 0.0 110.484 -179.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.68 -49.97 71.52 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.465 -0.334 . . . . 0.0 110.584 -179.849 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 51.9 m -62.51 -41.79 99.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.763 179.815 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 96.7 mt -63.55 -42.36 95.89 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.004 -0.543 . . . . 0.0 110.54 -179.894 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.52 HG23 HD11 ' C' ' 38' ' ' LEU . 69.2 mt -61.2 -44.25 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.394 0 C-N-CA 120.697 -0.401 . . . . 0.0 110.768 -179.608 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 0.819 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -63.42 -53.52 38.56 Favored Glycine 0 CA--C 1.524 0.648 0 C-N-CA 120.538 -0.839 . . . . 0.0 111.267 -179.492 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.3 mt -65.88 -44.49 92.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 120.86 0.362 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 56.9 tp -62.02 -44.6 96.37 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.942 -179.007 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.662 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.9 t60 -63.81 -39.18 93.61 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.358 -179.773 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.694 HD21 ' ND1' ' A' ' 37' ' ' HIS . 11.3 mt -61.49 -39.73 91.98 Favored 'General case' 0 C--N 1.324 -0.51 0 CA-C-N 116.033 -0.531 . . . . 0.0 111.123 -179.767 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 94.7 mt -61.96 -44.28 98.69 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.693 0 C-N-CA 120.447 -0.501 . . . . 0.0 110.409 -179.51 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 51.6 mt -73.48 -42.66 61.59 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.986 0.422 . . . . 0.0 111.043 179.875 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 75.5 t90 -69.07 -47.9 64.12 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.07 -0.514 . . . . 0.0 111.796 -179.211 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.638 HG22 ' O ' ' B' ' 38' ' ' LEU . 17.6 tt -62.37 -35.6 70.4 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.616 0 CA-C-O 120.886 0.374 . . . . 0.0 110.067 -179.369 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 45.4 tp -61.78 -42.94 99.64 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.011 -0.54 . . . . 0.0 110.207 -179.544 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.434 ' O ' ' CD2' ' B' ' 48' ' ' PHE . 99.0 m-20 -64.65 -38.77 92.13 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.772 -179.762 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' B' ' 48' ' ' PHE . 21.7 mmt85 -84.37 -8.52 58.96 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.64 -179.713 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 56.8 tp -62.33 -47.19 85.34 Favored 'General case' 0 C--N 1.324 -0.517 0 C-N-CA 120.439 -0.504 . . . . 0.0 110.547 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 61.1 m-85 -78.15 -37.74 45.25 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.979 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.434 ' CD2' ' O ' ' B' ' 44' ' ' ASP . 1.6 m-85 -94.41 124.17 38.28 Favored 'General case' 0 C--N 1.332 -0.184 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.47 -179.4 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 8.2 ptmm? . . . . . 0 C--O 1.22 -0.464 0 CA-C-O 117.984 -1.008 . . . . 0.0 110.635 -179.973 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 7.0 p . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.492 -0.559 . . . . 0.0 109.492 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.1 -39.22 94.05 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.515 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.25 -41.14 96.4 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.461 -179.771 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 8.7 t -60.05 -43.83 95.11 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.662 179.955 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 42.6 m -142.05 113.72 7.88 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.196 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . 0.496 ' OD1' ' N ' ' C' ' 24' ' ' ASP . 0.3 OUTLIER -84.86 153.51 60.59 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.384 -179.737 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 39.9 Cg_endo -66.58 -17.48 53.01 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.853 2.369 . . . . 0.0 111.883 179.272 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.535 ' N ' HD12 ' C' ' 26' ' ' LEU . 10.3 mp -61.89 -41.97 98.52 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.393 -0.367 . . . . 0.0 110.548 -179.51 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 94.2 t -62.8 -48.78 86.49 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-O 120.962 0.41 . . . . 0.0 110.546 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 88.9 t -65.46 -43.87 94.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.291 179.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.45 -39.24 92.73 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.057 -0.519 . . . . 0.0 110.508 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.0 -50.24 69.52 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.632 -179.924 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 55.0 m -62.21 -42.02 98.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.744 179.898 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.42 -42.51 96.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.496 -179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.523 HG23 HD11 ' D' ' 38' ' ' LEU . 71.4 mt -60.91 -44.07 97.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.468 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.793 -179.662 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.73 -53.68 36.41 Favored Glycine 0 CA--C 1.524 0.619 0 C-N-CA 120.598 -0.811 . . . . 0.0 111.183 -179.502 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.8 -44.41 92.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-O 120.847 0.356 . . . . 0.0 110.879 -179.834 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.14 -44.99 95.4 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.894 -178.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.666 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.8 t60 -63.35 -39.12 93.67 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.328 -179.772 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.662 HD21 ' ND1' ' B' ' 37' ' ' HIS . 11.6 mt -61.49 -39.91 92.65 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.979 -0.555 . . . . 0.0 111.26 -179.756 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 95.5 mt -61.86 -44.22 98.52 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.721 0 C-N-CA 120.483 -0.487 . . . . 0.0 110.415 -179.486 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 50.8 mt -73.48 -42.83 61.38 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.026 0.441 . . . . 0.0 111.06 179.902 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -68.83 -48.03 64.54 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.017 -0.538 . . . . 0.0 111.791 -179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.64 HG22 ' O ' ' C' ' 38' ' ' LEU . 17.8 tt -62.16 -35.59 69.75 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.042 -179.362 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 45.2 tp -61.91 -42.84 99.56 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.988 -0.551 . . . . 0.0 110.243 -179.541 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.44 ' O ' ' CD2' ' C' ' 48' ' ' PHE . 99.2 m-20 -64.72 -38.41 90.9 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.751 -179.802 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.432 ' O ' ' O ' ' C' ' 48' ' ' PHE . 21.5 mmt85 -84.71 -8.37 58.87 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.566 -179.696 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 56.4 tp -62.38 -47.34 84.58 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.471 -0.491 . . . . 0.0 110.494 -179.761 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -78.08 -38.02 45.19 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.889 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.44 ' CD2' ' O ' ' C' ' 44' ' ' ASP . 1.6 m-85 -93.98 124.71 38.17 Favored 'General case' 0 C--N 1.331 -0.197 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.39 -179.338 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 118.02 -0.991 . . . . 0.0 110.74 179.976 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 7.4 p . . . . . 0 N--CA 1.49 1.537 0 N-CA-C 109.417 -0.586 . . . . 0.0 109.417 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 99.1 m-20 -63.38 -39.06 93.51 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.5 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.19 -40.97 95.91 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.602 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 22.9 t -60.79 -42.91 98.5 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.279 -0.419 . . . . 0.0 110.315 -179.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 45.1 m -142.48 113.94 7.85 Favored 'General case' 0 N--CA 1.465 0.309 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.185 179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . 0.47 ' OD1' ' N ' ' D' ' 24' ' ' ASP . 0.3 OUTLIER -85.33 153.53 59.22 Favored Pre-proline 0 CA--C 1.533 0.306 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.407 -179.748 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 39.7 Cg_endo -66.53 -17.4 53.15 Favored 'Trans proline' 0 N--CA 1.495 1.606 0 C-N-CA 122.782 2.321 . . . . 0.0 112.002 179.243 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.525 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.3 mp -61.87 -42.02 98.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.501 -179.509 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 92.2 t -62.68 -48.68 86.99 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.483 0 CA-C-O 120.972 0.415 . . . . 0.0 110.525 -179.75 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 88.5 t -65.6 -43.86 93.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-N 116.002 -0.545 . . . . 0.0 110.275 179.882 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -62.65 -38.6 90.95 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.52 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.57 -50.22 70.64 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.573 -179.862 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 51.6 m -62.35 -41.71 98.81 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.29 -0.413 . . . . 0.0 110.808 179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 96.6 mt -63.59 -42.36 95.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.479 -179.838 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.508 HG23 HD11 ' A' ' 38' ' ' LEU . 69.6 mt -61.23 -44.07 97.67 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 116.374 -0.376 . . . . 0.0 110.79 -179.637 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -63.56 -53.58 37.7 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 120.625 -0.798 . . . . 0.0 111.3 -179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.86 -44.6 92.71 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-O 120.822 0.344 . . . . 0.0 110.98 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.7 tp -62.01 -44.76 96.02 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.846 -178.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.61 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.8 t60 -63.49 -39.32 94.14 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.273 -179.787 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.666 HD21 ' ND1' ' C' ' 37' ' ' HIS . 11.4 mt -61.47 -39.87 92.46 Favored 'General case' 0 C--N 1.324 -0.52 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.091 -179.632 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 94.9 mt -61.93 -44.3 98.7 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 C-N-CA 120.454 -0.498 . . . . 0.0 110.433 -179.46 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 51.3 mt -73.24 -42.52 62.46 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-O 121.009 0.433 . . . . 0.0 111.005 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 75.2 t90 -69.12 -48.52 62.25 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 115.964 -0.562 . . . . 0.0 111.818 -179.207 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.636 HG22 ' O ' ' D' ' 38' ' ' LEU . 17.8 tt -61.72 -35.53 68.1 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.028 -179.331 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 45.4 tp -61.97 -43.0 99.75 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.024 -0.535 . . . . 0.0 110.257 -179.52 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.44 ' O ' ' CD2' ' D' ' 48' ' ' PHE . 99.3 m-20 -64.6 -38.44 91.02 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.308 -0.406 . . . . 0.0 110.701 -179.769 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.431 ' O ' ' O ' ' D' ' 48' ' ' PHE . 21.8 mmt85 -84.62 -8.34 58.92 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.661 -179.738 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.46 -47.25 84.85 Favored 'General case' 0 C--N 1.324 -0.521 0 C-N-CA 120.409 -0.516 . . . . 0.0 110.54 -179.79 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 60.6 m-85 -78.32 -37.48 44.54 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.917 -179.778 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.44 ' CD2' ' O ' ' D' ' 44' ' ' ASP . 1.6 m-85 -94.39 124.56 38.49 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.441 -179.453 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 8.3 ptmm? . . . . . 0 C--O 1.221 -0.437 0 CA-C-O 117.946 -1.026 . . . . 0.0 110.699 179.944 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 0.819 'BR ' ' HA3' ' B' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.49 1.536 0 N-CA-C 109.385 -0.598 . . . . 0.0 109.385 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 97.6 m-20 -69.06 -70.58 0.26 Allowed 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.67 -179.95 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . 0.511 ' OD1' ' N ' ' A' ' 22' ' ' SER . 46.8 p-10 -66.97 -33.65 76.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.866 179.985 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.511 ' N ' ' OD1' ' A' ' 21' ' ' ASP . 54.1 m -59.38 -42.16 91.03 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.681 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 40.8 m -93.11 93.3 8.22 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.233 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.8 m-20 -78.21 150.13 76.95 Favored Pre-proline 0 C--N 1.328 -0.357 0 CA-C-N 115.907 -0.588 . . . . 0.0 110.211 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 39.1 Cg_endo -66.19 -24.32 51.52 Favored 'Trans proline' 0 N--CA 1.496 1.662 0 C-N-CA 122.164 1.91 . . . . 0.0 111.871 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.507 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.2 mp -64.2 -41.81 96.91 Favored 'General case' 0 CA--C 1.532 0.284 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.683 -179.478 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 92.0 t -61.82 -51.09 76.84 Favored 'Isoleucine or valine' 0 C--O 1.235 0.315 0 CA-C-O 121.082 0.468 . . . . 0.0 111.112 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.466 HG23 ' N ' ' A' ' 29' ' ' ALA . 28.3 m -66.55 -43.06 90.88 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.083 179.645 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.466 ' N ' HG23 ' A' ' 28' ' ' VAL . . . -56.51 -40.99 75.95 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.011 179.801 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.25 -43.24 82.8 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.54 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 70.1 m -60.24 -46.02 91.22 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.614 -0.434 . . . . 0.0 110.78 179.859 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.452 ' CD1' ' N ' ' A' ' 32' ' ' ILE . 1.2 mp -67.03 -41.32 87.11 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.251 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.767 179.425 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 72.1 mt -60.15 -45.04 96.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 C-N-CA 120.643 -0.423 . . . . 0.0 110.919 -179.24 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.06 -50.97 36.53 Favored Glycine 0 CA--C 1.527 0.798 0 C-N-CA 120.751 -0.738 . . . . 0.0 111.372 -179.786 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.39 -43.2 94.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.372 0 CA-C-O 120.64 0.257 . . . . 0.0 111.485 -179.303 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 54.4 tp -61.91 -43.7 98.31 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.565 -0.289 . . . . 0.0 110.758 -179.217 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.573 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.1 t60 -62.11 -41.87 98.66 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.871 0.367 . . . . 0.0 110.543 179.716 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.578 HD21 ' ND1' ' D' ' 37' ' ' HIS . 9.1 mt -61.82 -39.98 93.67 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.358 -179.222 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.3 -45.1 99.56 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 C-N-CA 120.175 -0.61 . . . . 0.0 110.476 -179.427 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.24 -44.43 65.33 Favored 'General case' 0 C--N 1.33 -0.282 0 C-N-CA 120.8 -0.36 . . . . 0.0 111.512 -179.916 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.418 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 65.3 t90 -68.92 -46.28 68.68 Favored 'General case' 0 N--CA 1.463 0.193 0 CA-C-N 116.316 -0.402 . . . . 0.0 111.975 -179.126 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.476 HG22 ' O ' ' A' ' 38' ' ' LEU . 3.8 tp -64.02 -40.72 90.05 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.396 -0.594 . . . . 0.0 109.396 -179.841 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.41 ' N ' ' CG2' ' A' ' 42' ' ' ILE . 43.9 tp -64.67 -39.36 93.54 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.765 -0.652 . . . . 0.0 110.284 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -61.11 -31.99 71.68 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.882 -0.599 . . . . 0.0 111.294 -179.567 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -59.65 -34.68 73.13 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.826 -0.35 . . . . 0.0 110.926 -179.535 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.547 ' N ' HD12 ' A' ' 46' ' ' LEU . 10.5 mp -61.86 -43.32 99.08 Favored 'General case' 0 C--N 1.331 -0.22 0 C-N-CA 120.789 -0.364 . . . . 0.0 110.23 -179.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -63.19 -45.3 92.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.583 179.991 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -140.33 147.58 40.07 Favored 'General case' 0 N--CA 1.463 0.19 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.283 179.791 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.22 -0.48 0 CA-C-O 117.988 -1.006 . . . . 0.0 110.477 179.794 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.2 m . . . . . 0 N--CA 1.49 1.544 0 N-CA-C 109.346 -0.613 . . . . 0.0 109.346 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -69.16 -70.49 0.27 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.669 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . 0.526 ' OD1' ' N ' ' B' ' 22' ' ' SER . 47.0 p-10 -66.96 -33.62 75.97 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.925 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.526 ' N ' ' OD1' ' B' ' 21' ' ' ASP . 54.2 m -59.37 -42.2 91.1 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.657 -179.758 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 40.7 m -93.06 93.14 8.16 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.334 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 22.5 m-20 -78.2 150.14 76.99 Favored Pre-proline 0 CA--C 1.534 0.358 0 CA-C-N 115.956 -0.566 . . . . 0.0 110.192 -179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 39.3 Cg_endo -66.16 -24.19 51.91 Favored 'Trans proline' 0 N--CA 1.497 1.726 0 C-N-CA 122.121 1.88 . . . . 0.0 111.931 -179.937 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.512 ' N ' HD12 ' B' ' 26' ' ' LEU . 10.2 mp -64.38 -41.75 96.53 Favored 'General case' 0 CA--C 1.533 0.325 0 CA-C-N 116.123 -0.489 . . . . 0.0 111.629 -179.452 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 91.9 t -61.91 -51.06 77.18 Favored 'Isoleucine or valine' 0 C--O 1.236 0.386 0 CA-C-O 120.966 0.412 . . . . 0.0 111.104 -178.672 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.461 HG23 ' N ' ' B' ' 29' ' ' ALA . 28.2 m -66.54 -43.01 90.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.442 0 C-N-CA 120.638 -0.425 . . . . 0.0 110.018 179.635 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.461 ' N ' HG23 ' B' ' 28' ' ' VAL . . . -56.63 -40.86 76.12 Favored 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.081 179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.27 -43.28 82.94 Favored 'General case' 0 C--N 1.326 -0.417 0 C-N-CA 120.834 -0.347 . . . . 0.0 110.494 179.873 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 69.6 m -60.32 -46.01 91.4 Favored 'General case' 0 C--N 1.331 -0.196 0 C-N-CA 120.513 -0.475 . . . . 0.0 110.832 179.928 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.448 ' N ' ' CD1' ' B' ' 32' ' ' ILE . 1.2 mp -66.9 -41.47 87.64 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.312 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.722 179.414 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 71.8 mt -60.0 -45.12 95.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 C-N-CA 120.617 -0.433 . . . . 0.0 110.906 -179.151 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . 1.016 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -68.07 -51.0 36.23 Favored Glycine 0 CA--C 1.528 0.863 0 C-N-CA 120.641 -0.79 . . . . 0.0 111.322 -179.678 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -65.29 -43.16 95.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 120.553 0.216 . . . . 0.0 111.576 -179.381 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 54.7 tp -61.78 -43.74 98.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.762 0.315 . . . . 0.0 110.813 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.583 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.1 t60 -62.07 -42.0 98.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.483 179.784 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.573 HD21 ' ND1' ' A' ' 37' ' ' HIS . 8.9 mt -61.82 -39.9 93.42 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.351 -179.144 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.39 -45.02 99.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.437 0 C-N-CA 120.195 -0.602 . . . . 0.0 110.411 -179.409 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.32 -44.55 64.92 Favored 'General case' 0 C--N 1.329 -0.316 0 C-N-CA 120.839 -0.345 . . . . 0.0 111.387 -179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.413 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 65.3 t90 -68.91 -46.29 68.69 Favored 'General case' 0 N--CA 1.464 0.236 0 CA-C-N 116.383 -0.371 . . . . 0.0 111.933 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.47 HG22 ' O ' ' B' ' 38' ' ' LEU . 3.9 tp -63.97 -40.67 89.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 N-CA-C 109.453 -0.573 . . . . 0.0 109.453 -179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.411 ' N ' ' CG2' ' B' ' 42' ' ' ILE . 43.9 tp -64.75 -39.32 93.44 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.207 179.001 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 42.7 t0 -61.19 -31.88 71.64 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 115.939 -0.573 . . . . 0.0 111.239 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.411 ' O ' ' O ' ' B' ' 48' ' ' PHE . 83.7 mtp180 -59.79 -34.66 73.32 Favored 'General case' 0 C--N 1.329 -0.29 0 C-N-CA 120.818 -0.353 . . . . 0.0 110.891 -179.465 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.55 ' N ' HD12 ' B' ' 46' ' ' LEU . 10.4 mp -61.82 -43.39 98.94 Favored 'General case' 0 C--N 1.331 -0.219 0 C-N-CA 120.76 -0.376 . . . . 0.0 110.229 -179.584 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -63.08 -45.38 92.39 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.366 -0.379 . . . . 0.0 110.579 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.411 ' O ' ' O ' ' B' ' 45' ' ' ARG . 97.4 m-85 -140.31 147.43 39.89 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.441 179.799 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 98.7 mttt . . . . . 0 C--O 1.22 -0.462 0 CA-C-O 117.982 -1.008 . . . . 0.0 110.511 179.867 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.491 1.576 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 97.5 m-20 -69.09 -70.46 0.27 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.613 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . 0.518 ' OD1' ' N ' ' C' ' 22' ' ' SER . 46.8 p-10 -67.1 -33.58 75.79 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.827 -179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . 0.518 ' N ' ' OD1' ' C' ' 21' ' ' ASP . 53.5 m -59.43 -42.06 91.02 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.665 -179.834 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 40.6 m -93.13 93.33 8.23 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.921 0.391 . . . . 0.0 110.278 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -78.45 150.23 76.31 Favored Pre-proline 0 CA--C 1.533 0.302 0 CA-C-N 115.958 -0.564 . . . . 0.0 110.135 -179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 39.0 Cg_endo -66.2 -24.3 51.5 Favored 'Trans proline' 0 N--CA 1.495 1.568 0 C-N-CA 122.241 1.961 . . . . 0.0 111.848 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.516 ' N ' HD12 ' C' ' 26' ' ' LEU . 10.2 mp -64.29 -41.77 96.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.671 -179.513 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 91.2 t -61.89 -51.08 76.87 Favored 'Isoleucine or valine' 0 C--O 1.236 0.379 0 C-N-CA 120.693 -0.403 . . . . 0.0 111.097 -178.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.459 HG23 ' N ' ' C' ' 29' ' ' ALA . 28.3 m -66.52 -43.0 91.01 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.401 0 C-N-CA 120.548 -0.461 . . . . 0.0 110.065 179.597 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.459 ' N ' HG23 ' C' ' 28' ' ' VAL . . . -56.58 -40.95 76.14 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.286 -0.415 . . . . 0.0 109.986 179.849 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.25 -43.26 82.79 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.798 -0.361 . . . . 0.0 110.452 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 70.7 m -60.3 -46.02 91.34 Favored 'General case' 0 C--N 1.331 -0.232 0 C-N-CA 120.462 -0.495 . . . . 0.0 110.83 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.456 ' CD1' ' N ' ' C' ' 32' ' ' ILE . 1.2 mp -67.09 -41.32 86.95 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.274 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.692 179.524 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 72.7 mt -60.03 -45.16 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 C-N-CA 120.726 -0.389 . . . . 0.0 110.869 -179.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.12 -50.99 36.02 Favored Glycine 0 CA--C 1.526 0.765 0 C-N-CA 120.687 -0.768 . . . . 0.0 111.304 -179.648 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.24 -43.22 95.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-O 120.592 0.235 . . . . 0.0 111.538 -179.416 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 54.3 tp -61.83 -43.83 98.07 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.791 0.329 . . . . 0.0 110.77 -179.135 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.588 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.0 t60 -62.02 -41.98 98.67 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.371 -0.377 . . . . 0.0 110.446 179.76 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.583 HD21 ' ND1' ' B' ' 37' ' ' HIS . 8.8 mt -61.86 -39.9 93.48 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.354 -179.104 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 97.1 mt -62.36 -44.93 99.73 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.438 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.514 -179.507 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.43 -44.55 64.63 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.809 -0.356 . . . . 0.0 111.434 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.426 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 65.0 t90 -68.86 -46.28 68.88 Favored 'General case' 0 C--N 1.331 -0.222 0 CA-C-N 116.368 -0.378 . . . . 0.0 111.87 -179.035 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.482 HG22 ' O ' ' C' ' 38' ' ' LEU . 3.8 tp -63.93 -40.75 90.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 N-CA-C 109.42 -0.585 . . . . 0.0 109.42 -179.819 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' C' ' 42' ' ' ILE . 43.8 tp -64.72 -39.36 93.52 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 115.674 -0.694 . . . . 0.0 110.177 179.056 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 42.5 t0 -61.11 -31.99 71.67 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 115.876 -0.602 . . . . 0.0 111.223 -179.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 83.7 mtp180 -59.74 -34.61 73.18 Favored 'General case' 0 C--N 1.328 -0.361 0 C-N-CA 120.849 -0.34 . . . . 0.0 110.898 -179.47 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.539 ' N ' HD12 ' C' ' 46' ' ' LEU . 10.5 mp -61.96 -43.29 99.15 Favored 'General case' 0 C--N 1.33 -0.249 0 C-N-CA 120.664 -0.414 . . . . 0.0 110.245 -179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -63.05 -45.4 92.4 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.326 -0.397 . . . . 0.0 110.647 179.84 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -140.32 147.53 40.02 Favored 'General case' 0 N--CA 1.464 0.243 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.371 179.761 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.22 -0.495 0 CA-C-O 117.948 -1.025 . . . . 0.0 110.471 179.908 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 5.3 m . . . . . 0 N--CA 1.49 1.553 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 97.3 m-20 -68.94 -70.48 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.741 -179.943 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . 0.525 ' OD1' ' N ' ' D' ' 22' ' ' SER . 46.9 p-10 -67.07 -33.69 76.05 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.787 179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . 0.525 ' N ' ' OD1' ' D' ' 21' ' ' ASP . 52.8 m -59.36 -42.15 90.9 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.698 -179.785 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 40.7 m -93.05 93.26 8.22 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.281 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 22.4 m-20 -78.42 150.23 76.44 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-N 116.003 -0.544 . . . . 0.0 110.128 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 38.8 Cg_endo -66.21 -24.29 51.43 Favored 'Trans proline' 0 N--CA 1.495 1.609 0 C-N-CA 122.211 1.94 . . . . 0.0 111.854 -179.843 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.512 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.2 mp -64.23 -41.8 96.85 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.701 -179.533 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 88.8 t -62.01 -50.85 78.41 Favored 'Isoleucine or valine' 0 C--O 1.235 0.321 0 CA-C-O 120.961 0.41 . . . . 0.0 111.192 -178.65 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . 0.455 HG23 ' N ' ' D' ' 29' ' ' ALA . 28.2 m -66.63 -42.97 90.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.369 0 C-N-CA 120.491 -0.484 . . . . 0.0 110.071 179.504 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.455 ' N ' HG23 ' D' ' 28' ' ' VAL . . . -56.62 -40.87 76.12 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.155 -0.475 . . . . 0.0 109.985 179.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -57.21 -43.43 82.77 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.856 -0.337 . . . . 0.0 110.45 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 69.9 m -60.18 -46.12 90.8 Favored 'General case' 0 CA--C 1.532 0.268 0 C-N-CA 120.56 -0.456 . . . . 0.0 110.759 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.446 ' N ' ' CD1' ' D' ' 32' ' ' ILE . 1.2 mp -66.94 -41.34 87.38 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.277 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.759 179.443 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 72.4 mt -60.03 -45.16 95.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 C-N-CA 120.696 -0.402 . . . . 0.0 110.914 -179.222 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -68.1 -51.0 36.09 Favored Glycine 0 CA--C 1.527 0.832 0 C-N-CA 120.62 -0.8 . . . . 0.0 111.341 -179.691 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.6 mt -65.21 -43.19 95.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.684 0.278 . . . . 0.0 111.596 -179.389 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 54.5 tp -61.86 -43.86 98.0 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.715 -179.176 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.578 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.0 t60 -61.97 -42.0 98.64 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 121.0 0.428 . . . . 0.0 110.501 179.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.588 HD21 ' ND1' ' C' ' 37' ' ' HIS . 8.9 mt -61.81 -39.95 93.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.384 -179.177 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 97.0 mt -62.33 -45.01 99.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.446 0 C-N-CA 120.159 -0.616 . . . . 0.0 110.434 -179.496 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 96.1 mt -71.34 -44.53 64.89 Favored 'General case' 0 C--N 1.328 -0.348 0 C-N-CA 120.801 -0.36 . . . . 0.0 111.472 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.415 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 65.1 t90 -68.76 -46.5 68.63 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.334 -0.394 . . . . 0.0 111.889 -179.108 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.484 HG22 ' O ' ' D' ' 38' ' ' LEU . 3.9 tp -63.85 -40.78 90.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 109.439 -0.578 . . . . 0.0 109.439 -179.821 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.405 ' N ' ' CG2' ' D' ' 42' ' ' ILE . 43.1 tp -64.7 -39.4 93.59 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.666 -0.697 . . . . 0.0 110.176 179.105 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 42.4 t0 -60.97 -32.07 71.62 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 115.867 -0.606 . . . . 0.0 111.328 -179.559 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.403 ' O ' ' O ' ' D' ' 48' ' ' PHE . 83.7 mtp180 -59.71 -34.65 73.18 Favored 'General case' 0 C--N 1.33 -0.273 0 C-N-CA 120.825 -0.35 . . . . 0.0 110.888 -179.424 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.533 HD12 ' N ' ' D' ' 46' ' ' LEU . 10.5 mp -61.91 -43.2 99.34 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.731 -0.388 . . . . 0.0 110.292 -179.543 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 66.7 m-85 -63.15 -45.4 92.09 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.274 -0.421 . . . . 0.0 110.645 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.403 ' O ' ' O ' ' D' ' 45' ' ' ARG . 97.3 m-85 -140.33 147.59 40.09 Favored 'General case' 0 N--CA 1.464 0.252 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.387 179.675 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 98.8 mttt . . . . . 0 C--O 1.22 -0.466 0 CA-C-O 117.962 -1.018 . . . . 0.0 110.558 179.904 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 1.016 'BR ' ' HA3' ' B' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 16.9 t . . . . . 0 N--CA 1.491 1.583 0 N-CA-C 109.423 -0.584 . . . . 0.0 109.423 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . 0.404 ' O ' ' OD1' ' A' ' 20' ' ' ASN . 51.6 p-10 -158.59 154.91 27.36 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.541 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -74.15 -15.52 61.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.614 179.771 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 6.5 m -65.41 -17.85 64.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.309 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 73.5 m -59.77 -41.86 92.01 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.731 -179.907 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -103.38 98.73 12.97 Favored Pre-proline 0 CA--C 1.541 0.6 0 CA-C-N 116.433 -0.349 . . . . 0.0 110.615 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 67.5 Cg_endo -76.48 -13.82 18.27 Favored 'Trans proline' 0 N--CA 1.492 1.437 0 C-N-CA 122.093 1.862 . . . . 0.0 112.492 -179.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.52 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.8 mp -59.76 -42.94 94.39 Favored 'General case' 0 C--N 1.331 -0.204 0 CA-C-N 116.38 -0.373 . . . . 0.0 110.813 -178.777 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . 0.449 HG23 ' N ' ' A' ' 28' ' ' VAL . 4.6 m -66.88 -39.95 84.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-O 120.909 0.385 . . . . 0.0 110.669 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.449 ' N ' HG23 ' A' ' 27' ' ' VAL . 84.7 t -61.02 -44.41 98.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.304 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.78 -38.2 87.17 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.496 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.15 -47.74 74.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.382 -0.372 . . . . 0.0 110.522 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 66.9 m -61.0 -42.47 98.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.493 179.695 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 97.3 mt -63.89 -42.26 95.21 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.229 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.438 179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.527 HG23 HD11 ' B' ' 38' ' ' LEU . 80.7 mt -61.36 -44.18 98.0 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-N 116.33 -0.396 . . . . 0.0 110.72 -179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.63 -52.42 48.89 Favored Glycine 0 CA--C 1.524 0.61 0 C-N-CA 120.408 -0.901 . . . . 0.0 111.202 -179.742 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.02 -44.64 92.07 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.22 0 C-N-CA 120.981 -0.288 . . . . 0.0 111.145 -179.933 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.59 -46.61 87.52 Favored 'General case' 0 N--CA 1.463 0.2 0 CA-C-O 121.149 0.499 . . . . 0.0 110.946 -179.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.542 ' ND1' HD21 ' B' ' 38' ' ' LEU . 8.3 t60 -59.76 -40.41 88.09 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.194 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.513 HD11 HG23 ' D' ' 33' ' ' ILE . 14.6 mt -61.67 -39.79 92.64 Favored 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.145 -179.491 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . 0.48 ' O ' HD13 ' A' ' 43' ' ' LEU . 93.7 mt -59.0 -49.27 83.85 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.739 0 C-N-CA 119.661 -0.816 . . . . 0.0 110.219 -179.426 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 52.3 mt -69.57 -42.83 73.98 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.619 -0.433 . . . . 0.0 111.668 179.641 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -67.22 -39.81 86.29 Favored 'General case' 0 CA--C 1.532 0.258 0 CA-C-N 116.549 -0.296 . . . . 0.0 111.34 -179.286 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . . . . . . . . . 52.4 mt -62.75 -45.99 97.46 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.271 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.557 179.479 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.48 HD13 ' O ' ' A' ' 39' ' ' ILE . 8.6 mp -65.74 -37.63 86.93 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.472 -0.331 . . . . 0.0 110.477 179.589 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.0 t0 -52.8 -49.17 66.18 Favored 'General case' 0 C--N 1.328 -0.336 0 C-N-CA 120.673 -0.411 . . . . 0.0 110.311 -179.517 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -65.19 -34.38 78.24 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.333 -0.394 . . . . 0.0 111.009 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.574 HD23 ' O ' ' A' ' 46' ' ' LEU . 1.3 tt -60.08 -44.57 94.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.939 0.399 . . . . 0.0 110.13 -178.701 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . 0.426 ' O ' ' CG ' ' A' ' 48' ' ' PHE . 58.4 m-85 -61.06 -46.7 89.62 Favored 'General case' 0 C--N 1.33 -0.27 0 C-N-CA 120.689 -0.404 . . . . 0.0 110.585 179.685 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.426 ' CG ' ' O ' ' A' ' 47' ' ' PHE . 85.5 m-85 -155.04 157.72 38.01 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.547 179.652 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.1 tttp . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 117.949 -1.024 . . . . 0.0 110.562 -179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 18.6 t . . . . . 0 N--CA 1.49 1.565 0 N-CA-C 109.435 -0.58 . . . . 0.0 109.435 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -158.38 154.98 27.86 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.636 179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -74.0 -15.74 61.08 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.68 179.756 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 6.2 m -65.2 -17.91 64.88 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.464 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 72.5 m -59.77 -41.93 92.19 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.687 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -103.34 98.75 12.91 Favored Pre-proline 0 CA--C 1.542 0.638 0 CA-C-N 116.493 -0.321 . . . . 0.0 110.612 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -76.37 -13.91 18.46 Favored 'Trans proline' 0 N--CA 1.494 1.558 0 C-N-CA 122.069 1.846 . . . . 0.0 112.503 -179.627 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.516 ' N ' HD12 ' B' ' 26' ' ' LEU . 10.8 mp -59.89 -43.1 94.97 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.387 -0.369 . . . . 0.0 110.816 -178.642 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . 0.433 HG23 ' N ' ' B' ' 28' ' ' VAL . 3.9 m -66.6 -40.05 85.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-O 121.043 0.449 . . . . 0.0 110.69 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.433 ' N ' HG23 ' B' ' 27' ' ' VAL . 85.5 t -61.03 -44.43 98.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.832 -0.622 . . . . 0.0 110.366 -179.879 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.91 -38.08 87.07 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 116.286 -0.416 . . . . 0.0 110.331 -179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.15 -47.8 74.61 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.849 0.357 . . . . 0.0 110.465 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 62.3 m -60.91 -42.63 98.45 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.561 179.659 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.75 -42.35 95.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.48 179.883 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.538 HG23 HD11 ' C' ' 38' ' ' LEU . 79.4 mt -61.25 -44.23 98.0 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.406 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.823 -179.624 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.6 -52.3 49.82 Favored Glycine 0 CA--C 1.524 0.641 0 C-N-CA 120.413 -0.898 . . . . 0.0 111.084 -179.655 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.28 -44.49 91.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.246 0 C-N-CA 120.934 -0.306 . . . . 0.0 111.117 -179.722 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 58.1 tp -62.78 -46.43 88.03 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-O 121.024 0.44 . . . . 0.0 110.882 -179.17 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.505 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.1 t60 -59.73 -40.59 88.54 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.118 179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.542 HD21 ' ND1' ' A' ' 37' ' ' HIS . 14.5 mt -61.5 -39.9 92.64 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.496 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . 0.468 ' O ' HD13 ' B' ' 43' ' ' LEU . 94.7 mt -58.79 -49.36 83.12 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 C-N-CA 119.729 -0.788 . . . . 0.0 110.215 -179.447 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 mt -69.78 -42.84 73.27 Favored 'General case' 0 C--N 1.327 -0.376 0 C-N-CA 120.595 -0.442 . . . . 0.0 111.521 179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 81.8 t90 -67.0 -39.89 87.22 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.643 -0.253 . . . . 0.0 111.416 -179.348 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . . . . . . . . . 52.1 mt -62.78 -46.14 97.08 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.325 0 C-N-CA 121.103 -0.239 . . . . 0.0 110.467 179.493 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.468 HD13 ' O ' ' B' ' 39' ' ' ILE . 8.6 mp -65.72 -37.45 86.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.568 -0.287 . . . . 0.0 110.456 179.615 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 67.7 t0 -53.32 -48.77 68.15 Favored 'General case' 0 C--N 1.328 -0.338 0 C-N-CA 120.676 -0.41 . . . . 0.0 110.095 -179.208 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -65.25 -34.41 78.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.462 -0.336 . . . . 0.0 111.102 179.147 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.58 HD23 ' O ' ' B' ' 46' ' ' LEU . 1.3 tt -60.08 -44.46 94.76 Favored 'General case' 0 CA--C 1.534 0.341 0 CA-C-O 120.845 0.355 . . . . 0.0 110.058 -178.599 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . 0.42 ' O ' ' CG ' ' B' ' 48' ' ' PHE . 58.5 m-85 -61.12 -46.69 89.56 Favored 'General case' 0 C--N 1.331 -0.233 0 C-N-CA 120.645 -0.422 . . . . 0.0 110.589 179.746 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.42 ' CG ' ' O ' ' B' ' 47' ' ' PHE . 85.8 m-85 -154.98 157.6 37.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.654 179.692 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.0 tttp . . . . . 0 C--O 1.219 -0.508 0 CA-C-O 117.973 -1.013 . . . . 0.0 110.504 179.97 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -158.68 154.94 27.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.612 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -73.97 -15.72 61.1 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.671 179.856 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 6.4 m -65.28 -17.96 64.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.357 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 73.3 m -59.77 -41.84 92.0 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.718 -179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 10.8 m-20 -103.38 98.77 13.05 Favored Pre-proline 0 CA--C 1.54 0.593 0 CA-C-N 116.48 -0.327 . . . . 0.0 110.599 -179.727 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 68.2 Cg_endo -76.46 -13.76 18.33 Favored 'Trans proline' 0 N--CA 1.493 1.46 0 C-N-CA 122.035 1.823 . . . . 0.0 112.547 -179.582 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.52 ' N ' HD12 ' C' ' 26' ' ' LEU . 10.8 mp -59.96 -42.99 95.3 Favored 'General case' 0 C--N 1.331 -0.227 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.846 -178.726 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . 0.446 HG23 ' N ' ' C' ' 28' ' ' VAL . 4.5 m -66.58 -40.16 85.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.354 0 CA-C-O 120.98 0.419 . . . . 0.0 110.592 179.912 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.446 ' N ' HG23 ' C' ' 27' ' ' VAL . 86.6 t -60.98 -44.49 98.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.452 -179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.93 -37.97 86.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.394 179.963 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.1 -47.92 74.29 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.499 -179.943 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 61.7 m -60.9 -42.53 98.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.553 179.626 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.8 -42.3 95.45 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.234 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.43 -179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.523 HG23 HD11 ' D' ' 38' ' ' LEU . 79.7 mt -61.44 -44.06 97.86 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.384 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.733 -179.556 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . 1.016 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -62.63 -52.44 48.75 Favored Glycine 0 CA--C 1.524 0.654 0 C-N-CA 120.477 -0.868 . . . . 0.0 111.06 -179.617 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -66.06 -44.59 91.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 C-N-CA 120.948 -0.301 . . . . 0.0 111.216 -179.893 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 58.6 tp -62.71 -46.56 87.57 Favored 'General case' 0 C--O 1.234 0.255 0 CA-C-O 121.082 0.467 . . . . 0.0 110.823 -179.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.485 ' ND1' HD21 ' D' ' 38' ' ' LEU . 8.3 t60 -59.8 -40.36 88.09 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.21 -179.951 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.538 HD11 HG23 ' B' ' 33' ' ' ILE . 14.5 mt -61.66 -39.75 92.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.11 -179.473 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . 0.482 ' O ' HD13 ' C' ' 43' ' ' LEU . 93.9 mt -58.93 -49.26 83.76 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.805 0 C-N-CA 119.733 -0.787 . . . . 0.0 110.19 -179.407 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 53.2 mt -69.6 -42.95 73.75 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.698 -0.401 . . . . 0.0 111.549 179.701 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 82.2 t90 -67.11 -39.92 86.75 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.685 -0.234 . . . . 0.0 111.481 -179.31 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . . . . . . . . . 52.6 mt -62.67 -46.2 96.96 Favored 'Isoleucine or valine' 0 N--CA 1.464 0.246 0 C-N-CA 121.091 -0.243 . . . . 0.0 110.485 179.477 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.482 HD13 ' O ' ' C' ' 39' ' ' ILE . 8.6 mp -65.59 -37.6 87.09 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.549 -0.296 . . . . 0.0 110.537 179.559 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 67.1 t0 -52.87 -49.25 66.2 Favored 'General case' 0 C--N 1.329 -0.325 0 C-N-CA 120.739 -0.385 . . . . 0.0 110.163 -179.495 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -65.16 -34.38 78.24 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.337 -0.392 . . . . 0.0 111.101 179.334 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.566 HD23 ' O ' ' C' ' 46' ' ' LEU . 1.3 tt -60.05 -44.64 94.54 Favored 'General case' 0 CA--C 1.533 0.294 0 CA-C-O 120.884 0.373 . . . . 0.0 110.038 -178.714 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . 0.426 ' O ' ' CG ' ' C' ' 48' ' ' PHE . 58.4 m-85 -61.04 -46.67 89.76 Favored 'General case' 0 C--N 1.329 -0.307 0 C-N-CA 120.68 -0.408 . . . . 0.0 110.581 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.426 ' CG ' ' O ' ' C' ' 47' ' ' PHE . 85.3 m-85 -154.88 157.61 38.07 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.665 179.73 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 64.0 tttp . . . . . 0 C--O 1.22 -0.493 0 CA-C-O 118.001 -1.0 . . . . 0.0 110.518 179.983 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 17.8 t . . . . . 0 N--CA 1.49 1.556 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 51.6 p-10 -158.67 154.8 27.01 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.561 179.892 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 97.9 m-20 -73.87 -15.62 61.15 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.63 179.818 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 6.3 m -65.44 -17.81 64.83 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.35 -179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 72.9 m -59.87 -41.84 92.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.679 -179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 10.5 m-20 -103.35 98.72 12.88 Favored Pre-proline 0 CA--C 1.539 0.537 0 CA-C-N 116.451 -0.34 . . . . 0.0 110.687 -179.786 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 68.4 Cg_endo -76.45 -13.81 18.34 Favored 'Trans proline' 0 N--CA 1.494 1.522 0 C-N-CA 122.144 1.896 . . . . 0.0 112.435 -179.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.506 ' N ' HD12 ' D' ' 26' ' ' LEU . 10.8 mp -59.9 -43.17 94.98 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.818 -178.7 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . 0.434 HG23 ' N ' ' D' ' 28' ' ' VAL . 4.4 m -66.43 -40.33 86.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-O 121.027 0.441 . . . . 0.0 110.59 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . 0.434 ' N ' HG23 ' D' ' 27' ' ' VAL . 85.5 t -60.96 -44.49 98.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.391 -179.78 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -61.77 -38.2 87.15 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.384 179.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.19 -47.75 74.78 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.428 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 62.2 m -60.88 -42.59 98.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.443 -0.344 . . . . 0.0 110.486 179.733 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 97.2 mt -63.79 -42.39 95.74 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.445 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.513 HG23 HD11 ' A' ' 38' ' ' LEU . 81.0 mt -61.27 -44.21 97.99 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.69 -179.579 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -62.59 -52.34 49.55 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.409 -0.901 . . . . 0.0 111.117 -179.614 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.0 mt -66.13 -44.58 91.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-O 120.684 0.278 . . . . 0.0 111.204 -179.88 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 58.3 tp -62.73 -46.46 88.0 Favored 'General case' 0 C--O 1.234 0.25 0 CA-C-O 121.079 0.466 . . . . 0.0 110.859 -179.175 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.472 ' ND1' HD21 ' A' ' 38' ' ' LEU . 8.1 t60 -59.69 -40.67 88.64 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.137 -179.925 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.523 HD11 HG23 ' C' ' 33' ' ' ILE . 14.6 mt -61.54 -39.84 92.53 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.117 -179.395 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . 0.477 ' O ' HD13 ' D' ' 43' ' ' LEU . 94.1 mt -58.84 -49.29 83.45 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.781 0 C-N-CA 119.616 -0.834 . . . . 0.0 110.178 -179.39 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 53.1 mt -69.64 -42.91 73.65 Favored 'General case' 0 C--N 1.326 -0.425 0 C-N-CA 120.69 -0.404 . . . . 0.0 111.557 179.766 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 82.0 t90 -66.97 -39.93 87.34 Favored 'General case' 0 CA--C 1.531 0.23 0 CA-C-N 116.608 -0.269 . . . . 0.0 111.558 -179.458 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . . . . . . . . . 53.7 mt -62.72 -45.93 97.61 Favored 'Isoleucine or valine' 0 N--CA 1.465 0.32 0 C-N-CA 121.015 -0.274 . . . . 0.0 110.596 179.38 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.477 HD13 ' O ' ' D' ' 39' ' ' ILE . 8.6 mp -65.8 -37.62 86.75 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.543 -0.299 . . . . 0.0 110.46 179.567 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -52.94 -49.1 66.71 Favored 'General case' 0 C--N 1.328 -0.345 0 C-N-CA 120.723 -0.391 . . . . 0.0 110.26 -179.436 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 81.5 mtp180 -65.25 -34.35 78.15 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.306 -0.407 . . . . 0.0 111.06 179.303 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.575 HD23 ' O ' ' D' ' 46' ' ' LEU . 1.3 tt -60.06 -44.53 94.66 Favored 'General case' 0 CA--C 1.535 0.377 0 CA-C-O 120.895 0.378 . . . . 0.0 110.108 -178.699 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . 0.423 ' O ' ' CG ' ' D' ' 48' ' ' PHE . 58.4 m-85 -60.97 -46.72 89.62 Favored 'General case' 0 C--N 1.329 -0.302 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.592 179.708 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.423 ' CG ' ' O ' ' D' ' 47' ' ' PHE . 85.8 m-85 -155.08 157.66 37.88 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.344 -0.389 . . . . 0.0 110.615 179.768 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 64.0 tttp . . . . . 0 C--O 1.22 -0.481 0 CA-C-O 118.002 -0.999 . . . . 0.0 110.451 179.947 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 1.016 'BR ' ' HA3' ' C' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 24.9 m . . . . . 0 N--CA 1.49 1.547 0 N-CA-C 109.468 -0.567 . . . . 0.0 109.468 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 54.42 51.1 14.78 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.674 179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 54.5 m-20 -65.38 -37.01 85.71 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.365 -0.38 . . . . 0.0 110.062 -179.58 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 81.1 p -61.72 -22.73 65.62 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.461 -179.851 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 5.7 m -78.51 0.7 25.05 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.997 -0.547 . . . . 0.0 110.511 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 16.2 m-20 -43.72 152.69 0.43 Allowed Pre-proline 0 C--N 1.328 -0.356 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.49 -179.136 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 36.7 Cg_endo -64.34 -24.84 64.39 Favored 'Trans proline' 0 N--CA 1.493 1.492 0 C-N-CA 122.594 2.196 . . . . 0.0 111.94 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.547 ' N ' HD12 ' A' ' 26' ' ' LEU . 10.0 mp -63.08 -44.84 94.63 Favored 'General case' 0 C--N 1.326 -0.428 0 C-N-CA 120.733 -0.387 . . . . 0.0 110.549 -179.657 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 72.5 t -68.03 -46.1 82.32 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.635 179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 71.6 t -63.76 -44.48 98.29 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 115.865 -0.607 . . . . 0.0 110.492 -179.694 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.64 -41.74 95.55 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.647 -179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.87 -50.21 66.8 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.512 -0.313 . . . . 0.0 110.575 -179.801 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -62.65 -43.03 99.84 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.753 179.738 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.503 HG22 HD12 ' A' ' 36' ' ' LEU . 91.1 mt -62.09 -41.71 92.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.074 -0.512 . . . . 0.0 110.859 -179.588 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 68.4 mt -58.65 -43.12 86.81 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.552 0 CA-C-N 116.43 -0.35 . . . . 0.0 110.7 -179.601 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . 0.663 ' CA ' 'BR ' ' C' ' 100' ' ' 3LW . . . -60.0 -49.79 74.74 Favored Glycine 0 CA--C 1.526 0.746 0 C-N-CA 120.606 -0.807 . . . . 0.0 111.272 -179.356 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 43.3 mm -63.62 -47.82 89.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 120.668 0.27 . . . . 0.0 111.146 -179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.503 HD12 HG22 ' A' ' 32' ' ' ILE . 44.4 mt -61.93 -43.62 98.47 Favored 'General case' 0 C--N 1.322 -0.602 0 C-N-CA 120.579 -0.448 . . . . 0.0 111.137 -178.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.407 ' CE1' ' CE3' ' B' ' 41' ' ' TRP . 7.6 t60 -65.34 -41.97 93.34 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.741 -179.692 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.511 ' O ' HG22 ' A' ' 42' ' ' ILE . 2.4 mt -62.07 -40.53 96.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 78.9 mt -61.55 -44.52 98.76 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.634 0 C-N-CA 120.433 -0.507 . . . . 0.0 110.482 -179.267 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 58.1 mt -74.35 -41.85 60.35 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-O 121.014 0.435 . . . . 0.0 111.184 179.533 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.408 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 74.4 t90 -68.28 -46.51 70.16 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 115.902 -0.59 . . . . 0.0 111.895 -178.956 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.511 HG22 ' O ' ' A' ' 38' ' ' LEU . 18.6 tt -61.53 -38.6 80.54 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.723 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.219 -179.139 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.622 HD23 ' O ' ' A' ' 43' ' ' LEU . 1.5 tt -61.76 -41.36 97.58 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 121.196 0.522 . . . . 0.0 109.966 -179.214 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.539 ' OD1' ' NH2' ' B' ' 45' ' ' ARG . 99.9 m-20 -59.36 -41.54 89.47 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.305 -0.407 . . . . 0.0 110.486 -179.534 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.522 ' NH2' ' OD1' ' D' ' 44' ' ' ASP . 70.8 ttt180 -65.44 -21.64 66.68 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.279 179.821 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.623 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.4 tt -61.78 -45.93 91.75 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 121.172 0.511 . . . . 0.0 110.31 -179.199 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 67.1 m-85 -61.28 -46.45 90.3 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 -179.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.442 ' O ' ' O ' ' A' ' 45' ' ' ARG . 5.5 m-85 -110.08 118.64 36.95 Favored 'General case' 0 N--CA 1.464 0.232 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.376 -179.73 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt . . . . . 0 C--O 1.221 -0.396 0 CA-C-O 117.937 -1.03 . . . . 0.0 110.445 179.908 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 24.0 m . . . . . 0 N--CA 1.489 1.48 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 98.5 m-20 55.01 50.6 15.11 Favored 'General case' 0 C--N 1.331 -0.235 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.805 179.798 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 55.4 m-20 -65.12 -37.1 86.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.039 -179.545 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 80.9 p -61.9 -22.55 65.67 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.481 -179.741 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 5.8 m -78.74 0.77 25.48 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.049 -0.523 . . . . 0.0 110.494 179.884 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 15.5 m-20 -43.65 152.72 0.42 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.555 -179.228 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.24 -25.07 64.93 Favored 'Trans proline' 0 N--CA 1.493 1.457 0 C-N-CA 122.626 2.217 . . . . 0.0 112.025 179.972 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.551 ' N ' HD12 ' B' ' 26' ' ' LEU . 9.9 mp -62.93 -45.06 94.28 Favored 'General case' 0 C--N 1.328 -0.339 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.604 -179.601 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 78.2 t -68.06 -45.9 82.59 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.661 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 74.2 t -63.66 -44.43 98.45 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.41 -179.799 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.92 -41.68 96.65 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.521 -179.714 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.78 -50.25 66.49 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-O 120.911 0.386 . . . . 0.0 110.658 -179.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -62.78 -42.98 99.94 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.733 179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.519 HG22 HD12 ' B' ' 36' ' ' LEU . 90.2 mt -62.1 -41.93 93.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.817 -179.576 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 68.5 mt -58.27 -43.3 85.71 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.534 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.783 -179.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.89 -49.91 73.46 Favored Glycine 0 CA--C 1.526 0.724 0 C-N-CA 120.681 -0.771 . . . . 0.0 111.222 -179.349 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 43.2 mm -63.58 -47.6 90.68 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.946 -0.302 . . . . 0.0 111.189 -179.579 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.519 HD12 HG22 ' B' ' 32' ' ' ILE . 44.1 mt -62.01 -43.76 98.14 Favored 'General case' 0 C--N 1.322 -0.62 0 C-N-CA 120.607 -0.437 . . . . 0.0 111.141 -179.057 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.411 ' CE1' ' CE3' ' C' ' 41' ' ' TRP . 7.7 t60 -65.32 -41.93 93.5 Favored 'General case' 0 C--N 1.321 -0.634 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.822 -179.678 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.523 ' O ' HG22 ' B' ' 42' ' ' ILE . 2.4 mt -62.17 -40.49 96.19 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.741 -179.344 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 78.4 mt -61.45 -44.63 98.88 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 C-N-CA 120.429 -0.509 . . . . 0.0 110.519 -179.331 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 58.5 mt -74.2 -41.87 60.71 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.022 0.439 . . . . 0.0 111.11 179.595 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.407 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 75.1 t90 -68.34 -46.45 70.15 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.886 -0.597 . . . . 0.0 111.938 -178.977 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.523 HG22 ' O ' ' B' ' 38' ' ' LEU . 18.6 tt -61.54 -38.38 80.03 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.21 -179.141 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.622 HD23 ' O ' ' B' ' 43' ' ' LEU . 1.5 tt -61.95 -41.46 98.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.18 0.514 . . . . 0.0 109.922 -179.161 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.505 ' OD1' ' NH2' ' C' ' 45' ' ' ARG . 99.8 m-20 -59.37 -41.55 89.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.461 -179.442 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.539 ' NH2' ' OD1' ' A' ' 44' ' ' ASP . 70.8 ttt180 -65.32 -21.84 66.75 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.998 0.428 . . . . 0.0 110.265 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.616 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.4 tt -61.74 -45.95 91.7 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 121.2 0.524 . . . . 0.0 110.335 -179.205 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 67.0 m-85 -61.25 -46.44 90.37 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.831 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.436 ' O ' ' O ' ' B' ' 45' ' ' ARG . 5.5 m-85 -110.16 118.67 37.0 Favored 'General case' 0 N--CA 1.464 0.274 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.411 -179.763 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt . . . . . 0 C--O 1.219 -0.525 0 CA-C-O 117.926 -1.035 . . . . 0.0 110.297 -179.996 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 29.6 m . . . . . 0 N--CA 1.488 1.469 0 N-CA-C 109.359 -0.608 . . . . 0.0 109.359 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 54.96 50.4 15.6 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.68 179.874 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 57.3 m-20 -64.9 -36.97 86.08 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.071 -179.603 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 84.0 p -61.88 -22.5 65.6 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.542 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 5.8 m -78.84 0.81 25.65 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.033 -0.531 . . . . 0.0 110.501 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 16.1 m-20 -43.72 152.65 0.43 Allowed Pre-proline 0 C--N 1.328 -0.347 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.635 -179.199 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 36.5 Cg_endo -64.16 -25.06 65.48 Favored 'Trans proline' 0 N--CA 1.494 1.523 0 C-N-CA 122.583 2.189 . . . . 0.0 111.972 -179.975 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.547 ' N ' HD12 ' C' ' 26' ' ' LEU . 9.9 mp -63.0 -44.89 94.77 Favored 'General case' 0 C--N 1.329 -0.313 0 C-N-CA 120.671 -0.412 . . . . 0.0 110.58 -179.605 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 70.9 t -68.05 -46.17 82.12 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.59 179.895 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 71.0 t -63.61 -44.44 98.56 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.603 -179.749 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.72 -41.71 95.81 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.06 -0.518 . . . . 0.0 110.595 -179.831 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.82 -50.13 66.86 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.633 -179.777 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 11.3 t -62.91 -42.9 99.94 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.788 179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.513 HG22 HD12 ' C' ' 36' ' ' LEU . 91.5 mt -62.05 -41.82 92.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.066 -0.515 . . . . 0.0 110.797 -179.685 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 68.6 mt -58.45 -43.24 86.31 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.524 0 CA-C-N 116.489 -0.323 . . . . 0.0 110.662 -179.59 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.01 -49.81 74.53 Favored Glycine 0 CA--C 1.525 0.671 0 C-N-CA 120.581 -0.818 . . . . 0.0 111.244 -179.36 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 43.8 mm -63.7 -47.59 90.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 C-N-CA 120.959 -0.296 . . . . 0.0 111.218 -179.539 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.513 HD12 HG22 ' C' ' 32' ' ' ILE . 44.0 mt -62.02 -43.55 98.59 Favored 'General case' 0 C--N 1.322 -0.605 0 C-N-CA 120.677 -0.409 . . . . 0.0 111.12 -179.06 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.402 ' CE1' ' CE3' ' D' ' 41' ' ' TRP . 7.7 t60 -65.47 -41.87 92.86 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.37 -0.377 . . . . 0.0 110.764 -179.754 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.531 ' O ' HG22 ' C' ' 42' ' ' ILE . 2.3 mt -62.34 -40.29 95.9 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.843 -179.325 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 79.0 mt -61.61 -44.58 98.89 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.666 0 C-N-CA 120.539 -0.464 . . . . 0.0 110.523 -179.379 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 59.7 mt -74.2 -42.01 60.49 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-O 120.952 0.406 . . . . 0.0 111.094 179.551 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.411 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 74.9 t90 -68.27 -46.69 69.71 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.921 -0.581 . . . . 0.0 111.848 -178.89 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.531 HG22 ' O ' ' C' ' 38' ' ' LEU . 18.7 tt -61.5 -38.26 79.72 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.719 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.193 -179.079 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.622 HD23 ' O ' ' C' ' 43' ' ' LEU . 1.5 tt -62.0 -41.49 98.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.208 0.528 . . . . 0.0 109.883 -179.169 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.525 ' OD1' ' NH2' ' D' ' 45' ' ' ARG . 99.8 m-20 -59.28 -41.69 89.48 Favored 'General case' 0 C--N 1.326 -0.444 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.466 -179.479 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.505 ' NH2' ' OD1' ' B' ' 44' ' ' ASP . 70.3 ttt180 -65.31 -21.68 66.74 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.324 179.816 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.626 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.5 tt -61.65 -46.16 90.94 Favored 'General case' 0 C--N 1.326 -0.435 0 CA-C-O 121.279 0.561 . . . . 0.0 110.263 -179.225 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -61.16 -46.71 89.4 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.752 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.443 ' O ' ' O ' ' C' ' 45' ' ' ARG . 5.5 m-85 -109.84 118.67 37.12 Favored 'General case' 0 N--CA 1.465 0.276 0 CA-C-O 120.826 0.346 . . . . 0.0 110.485 -179.837 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt . . . . . 0 C--O 1.221 -0.432 0 CA-C-O 117.895 -1.05 . . . . 0.0 110.408 179.936 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 22.7 m . . . . . 0 N--CA 1.49 1.574 0 N-CA-C 109.317 -0.623 . . . . 0.0 109.317 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 98.6 m-20 54.61 51.05 14.64 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.718 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 56.1 m-20 -65.17 -36.98 85.9 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.162 -179.747 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 80.4 p -62.02 -22.34 65.64 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.979 0.419 . . . . 0.0 110.518 -179.745 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 5.8 m -78.79 0.67 26.04 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 115.967 -0.56 . . . . 0.0 110.567 179.843 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 15.6 m-20 -43.71 152.6 0.43 Allowed Pre-proline 0 C--N 1.329 -0.322 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.526 -179.118 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 36.1 Cg_endo -64.14 -25.08 65.68 Favored 'Trans proline' 0 N--CA 1.494 1.513 0 C-N-CA 122.573 2.182 . . . . 0.0 112.007 179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.553 ' N ' HD12 ' D' ' 26' ' ' LEU . 9.9 mp -62.93 -44.97 94.63 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.759 -0.376 . . . . 0.0 110.574 -179.603 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 82.1 t -67.96 -46.27 82.21 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.388 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.623 179.794 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 72.5 t -63.52 -44.51 98.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.506 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -60.8 -41.67 96.11 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.634 -179.846 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -53.85 -50.07 67.06 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 120.857 0.361 . . . . 0.0 110.704 -179.784 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 11.2 t -62.83 -42.89 99.92 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.8 179.655 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.501 HG22 HD12 ' D' ' 36' ' ' LEU . 91.5 mt -62.13 -41.78 92.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.504 . . . . 0.0 110.814 -179.666 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 68.3 mt -58.53 -43.2 86.52 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.72 -179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -59.98 -49.86 74.02 Favored Glycine 0 CA--C 1.525 0.689 0 C-N-CA 120.614 -0.803 . . . . 0.0 111.258 -179.376 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 43.4 mm -63.56 -47.62 90.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-O 120.778 0.323 . . . . 0.0 111.208 -179.55 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . 0.501 HD12 HG22 ' D' ' 32' ' ' ILE . 45.4 mt -61.87 -43.77 98.17 Favored 'General case' 0 C--N 1.322 -0.597 0 C-N-CA 120.724 -0.39 . . . . 0.0 111.125 -179.095 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.408 ' CE1' ' CE3' ' A' ' 41' ' ' TRP . 7.8 t60 -65.48 -41.78 92.93 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.767 -179.683 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.521 ' O ' HG22 ' D' ' 42' ' ' ILE . 2.4 mt -62.36 -40.35 96.15 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.815 -179.332 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 78.7 mt -61.52 -44.63 98.93 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.692 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.551 -179.393 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 59.0 mt -74.26 -42.01 60.34 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.132 0.492 . . . . 0.0 111.187 179.562 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.402 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 75.3 t90 -68.19 -46.61 70.19 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 115.849 -0.614 . . . . 0.0 111.857 -178.936 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.521 HG22 ' O ' ' D' ' 38' ' ' LEU . 18.6 tt -61.49 -38.25 79.67 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.766 0 CA-C-N 116.353 -0.385 . . . . 0.0 110.238 -179.117 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.62 HD23 ' O ' ' D' ' 43' ' ' LEU . 1.5 tt -62.0 -41.43 98.05 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 121.234 0.54 . . . . 0.0 109.965 -179.211 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.522 ' OD1' ' NH2' ' A' ' 45' ' ' ARG . 99.9 m-20 -59.4 -41.41 89.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.446 -179.49 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.525 ' NH2' ' OD1' ' C' ' 44' ' ' ASP . 70.6 ttt180 -65.45 -21.88 66.7 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.296 179.789 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.626 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.5 tt -61.67 -45.98 91.7 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.166 0.507 . . . . 0.0 110.239 -179.102 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 66.5 m-85 -61.26 -46.59 89.74 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.746 -179.836 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.439 ' O ' ' O ' ' D' ' 45' ' ' ARG . 5.4 m-85 -109.93 118.4 36.36 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-N 116.361 -0.381 . . . . 0.0 110.348 -179.732 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 38.3 ttmt . . . . . 0 C--O 1.22 -0.47 0 CA-C-O 117.943 -1.027 . . . . 0.0 110.418 179.839 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 0.663 'BR ' ' CA ' ' A' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.49 1.539 0 N-CA-C 109.29 -0.633 . . . . 0.0 109.29 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 17.7 m120 55.78 35.71 25.88 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.642 179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.66 -38.09 89.79 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.681 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 11.8 t -59.4 -43.92 92.9 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.588 -179.63 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 94.2 p -148.14 119.54 7.88 Favored 'General case' 0 N--CA 1.463 0.205 0 CA-C-O 120.882 0.372 . . . . 0.0 110.46 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.523 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 0.8 OUTLIER -62.06 151.91 79.24 Favored Pre-proline 0 C--N 1.327 -0.38 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.417 -179.448 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 40.7 Cg_endo -67.09 -21.9 48.29 Favored 'Trans proline' 0 N--CA 1.494 1.517 0 C-N-CA 122.614 2.21 . . . . 0.0 111.679 179.679 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.547 ' O ' HD13 ' A' ' 26' ' ' LEU . 0.2 OUTLIER -62.09 -47.82 82.94 Favored 'General case' 0 C--N 1.325 -0.497 0 C-N-CA 120.396 -0.522 . . . . 0.0 110.401 -178.719 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 97.8 t -63.57 -44.67 98.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.922 -0.581 . . . . 0.0 110.346 -179.522 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 90.2 t -61.42 -43.77 97.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.383 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.71 -39.85 85.99 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.547 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.96 -46.39 78.59 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.42 -0.355 . . . . 0.0 110.527 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -67.08 -39.79 86.89 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.771 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . 0.407 ' O ' ' CB ' ' A' ' 36' ' ' LEU . 95.2 mt -64.27 -42.96 97.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.022 -0.535 . . . . 0.0 110.587 179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . . . . . . . . . 74.1 mt -60.56 -44.65 97.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.784 -0.367 . . . . 0.0 110.745 -179.31 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.46 -48.55 23.28 Favored Glycine 0 CA--C 1.524 0.635 0 C-N-CA 120.794 -0.717 . . . . 0.0 111.418 -179.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.41 -45.52 92.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-O 120.771 0.319 . . . . 0.0 110.835 -179.274 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.407 ' CB ' ' O ' ' A' ' 32' ' ' ILE . 46.9 tp -63.34 -44.94 93.42 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.849 -179.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.56 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.4 t60 -59.77 -40.56 88.62 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.337 -179.715 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.476 HD21 ' ND1' ' D' ' 37' ' ' HIS . 14.4 mt -61.4 -39.86 92.25 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.046 -179.532 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 92.6 mt -59.0 -47.19 90.71 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.888 0 C-N-CA 120.115 -0.634 . . . . 0.0 110.327 -179.149 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 87.9 mt -72.62 -44.27 62.17 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-O 121.085 0.469 . . . . 0.0 111.168 -179.821 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 81.4 t90 -65.52 -35.65 81.5 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.844 -179.569 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.408 ' CG1' ' O ' ' A' ' 38' ' ' LEU . 2.6 mm -63.48 -44.68 98.89 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.609 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.31 -179.45 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 67.8 mt -61.19 -40.24 93.21 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.551 -179.115 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . 0.456 ' O ' ' N ' ' A' ' 48' ' ' PHE . 55.3 t0 -63.11 -32.79 74.25 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-N 116.032 -0.531 . . . . 0.0 110.605 -179.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 61.1 ttt85 -59.11 -44.44 91.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.411 -0.359 . . . . 0.0 110.487 -179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.493 ' N ' HD12 ' A' ' 46' ' ' LEU . 11.2 mp -63.86 -42.17 97.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.385 -0.37 . . . . 0.0 110.614 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -100.58 21.87 12.69 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-N 116.312 -0.404 . . . . 0.0 110.805 -179.65 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.457 ' O ' ' CG ' ' A' ' 48' ' ' PHE . 2.4 p90 -50.15 128.42 19.09 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.061 -0.518 . . . . 0.0 110.442 179.604 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 52.8 mtmt . . . . . 0 C--O 1.22 -0.472 0 CA-C-O 117.85 -1.072 . . . . 0.0 110.485 179.965 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 33.4 m . . . . . 0 N--CA 1.49 1.543 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 18.1 m120 55.9 35.59 25.74 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.647 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.3 m-20 -63.34 -38.24 90.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.553 -179.895 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 11.4 t -59.07 -44.14 91.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.669 -179.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 95.4 p -148.03 119.62 7.99 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.439 -0.346 . . . . 0.0 110.48 179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . 0.49 ' OD1' ' N ' ' B' ' 24' ' ' ASP . 0.8 OUTLIER -62.04 151.86 79.31 Favored Pre-proline 0 C--N 1.326 -0.429 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.524 -179.463 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 41.4 Cg_endo -66.98 -21.86 49.06 Favored 'Trans proline' 0 C--N 1.31 -1.477 0 C-N-CA 122.565 2.177 . . . . 0.0 111.782 179.643 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.545 HD13 ' O ' ' B' ' 26' ' ' LEU . 0.2 OUTLIER -62.21 -47.42 84.53 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-O 121.294 0.568 . . . . 0.0 110.331 -178.723 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 95.5 t -63.87 -44.58 98.12 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-N 115.998 -0.546 . . . . 0.0 110.386 -179.525 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 85.8 t -61.44 -43.91 97.6 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 115.856 -0.611 . . . . 0.0 110.358 -179.968 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.56 -40.2 86.54 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.435 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.57 -46.92 77.14 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.406 -0.361 . . . . 0.0 110.506 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 78.0 p -66.63 -39.94 88.52 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.809 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . 0.404 ' O ' ' CB ' ' B' ' 36' ' ' LEU . 94.7 mt -64.31 -42.89 96.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.417 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.649 179.923 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . . . . . . . . . 74.0 mt -60.54 -44.76 97.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.456 0 C-N-CA 120.748 -0.381 . . . . 0.0 110.716 -179.344 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.3 -48.75 23.41 Favored Glycine 0 CA--C 1.525 0.675 0 C-N-CA 120.858 -0.687 . . . . 0.0 111.425 -179.879 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.18 -45.66 93.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 C-N-CA 120.915 -0.314 . . . . 0.0 110.899 -179.3 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . 0.404 ' CB ' ' O ' ' B' ' 32' ' ' ILE . 46.8 tp -63.18 -44.86 94.21 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.096 0.474 . . . . 0.0 110.875 -179.154 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.42 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.7 t60 -59.8 -40.29 87.88 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.822 -0.626 . . . . 0.0 110.312 -179.704 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.56 HD21 ' ND1' ' A' ' 37' ' ' HIS . 14.7 mt -61.64 -39.77 92.5 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.087 -179.606 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 92.9 mt -59.11 -47.13 91.12 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.85 0 C-N-CA 120.179 -0.608 . . . . 0.0 110.462 -179.228 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 87.1 mt -72.69 -43.62 62.83 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 121.089 0.471 . . . . 0.0 111.176 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 82.1 t90 -66.38 -35.02 79.29 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 115.774 -0.648 . . . . 0.0 111.028 -179.512 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.407 ' CG1' ' O ' ' B' ' 38' ' ' LEU . 2.6 mm -63.93 -44.74 98.05 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.268 -179.663 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 66.4 mt -61.16 -40.33 93.47 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.604 -179.108 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . 0.459 ' O ' ' N ' ' B' ' 48' ' ' PHE . 55.1 t0 -63.08 -32.55 73.94 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 116.005 -0.543 . . . . 0.0 110.631 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 61.0 ttt85 -59.43 -44.5 92.89 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.579 -179.452 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.485 ' N ' HD12 ' B' ' 46' ' ' LEU . 11.2 mp -63.65 -42.37 98.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.842 0.353 . . . . 0.0 110.648 180.0 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 98.5 m-85 -100.43 21.58 12.97 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.792 -179.678 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.459 ' N ' ' O ' ' B' ' 44' ' ' ASP . 2.4 p90 -49.68 128.47 17.94 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.465 179.535 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt . . . . . 0 C--O 1.22 -0.494 0 CA-C-O 117.911 -1.042 . . . . 0.0 110.417 179.838 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 38.7 m . . . . . 0 N--CA 1.49 1.564 0 N-CA-C 109.215 -0.661 . . . . 0.0 109.215 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 17.3 m120 55.72 35.44 25.31 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.703 179.792 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -63.27 -38.31 90.65 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.571 -179.86 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 11.1 t -58.95 -44.24 91.41 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.678 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 90.2 p -148.13 119.83 8.05 Favored 'General case' 0 C--N 1.332 -0.169 0 CA-C-O 120.938 0.399 . . . . 0.0 110.363 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . 0.479 ' N ' ' OD1' ' C' ' 24' ' ' ASP . 0.8 OUTLIER -62.41 151.81 81.68 Favored Pre-proline 0 C--N 1.326 -0.417 0 CA-C-N 115.963 -0.562 . . . . 0.0 110.475 -179.43 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 39.5 Cg_endo -66.73 -22.08 50.51 Favored 'Trans proline' 0 N--CA 1.494 1.502 0 C-N-CA 122.552 2.168 . . . . 0.0 111.766 179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.551 ' O ' HD13 ' C' ' 26' ' ' LEU . 0.2 OUTLIER -62.13 -47.55 84.08 Favored 'General case' 0 C--N 1.324 -0.53 0 C-N-CA 120.394 -0.522 . . . . 0.0 110.421 -178.712 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 95.4 t -63.76 -44.63 98.34 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.679 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.348 -179.539 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 85.9 t -61.54 -44.11 98.06 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.333 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.43 -40.18 85.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.475 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.72 -46.37 77.75 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.397 -0.365 . . . . 0.0 110.57 -179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 78.3 p -66.99 -39.87 87.24 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.755 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . 0.408 ' O ' ' CB ' ' C' ' 36' ' ' LEU . 94.2 mt -64.29 -42.88 96.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.051 -0.522 . . . . 0.0 110.618 179.93 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . . . . . . . . . 75.4 mt -60.37 -44.84 96.86 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.457 0 C-N-CA 120.719 -0.392 . . . . 0.0 110.731 -179.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -72.29 -48.92 22.66 Favored Glycine 0 CA--C 1.525 0.676 0 C-N-CA 120.864 -0.684 . . . . 0.0 111.508 -179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.5 mt -65.07 -45.54 94.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 C-N-CA 120.911 -0.316 . . . . 0.0 110.896 -179.318 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . 0.408 ' CB ' ' O ' ' C' ' 32' ' ' ILE . 46.9 tp -63.22 -44.84 94.13 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.01 0.433 . . . . 0.0 110.906 -179.254 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.523 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.6 t60 -59.88 -40.41 88.61 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 115.877 -0.601 . . . . 0.0 110.414 -179.717 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.42 HD21 ' ND1' ' B' ' 37' ' ' HIS . 14.6 mt -61.52 -39.94 92.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.963 -179.559 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 93.8 mt -58.82 -47.52 89.05 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.833 0 C-N-CA 120.156 -0.617 . . . . 0.0 110.406 -179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 87.5 mt -72.38 -44.04 63.1 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.07 0.462 . . . . 0.0 111.26 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 81.6 t90 -65.81 -35.45 80.71 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.966 -179.583 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.402 ' CG1' ' O ' ' C' ' 38' ' ' LEU . 2.6 mm -63.63 -44.85 98.67 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.248 -179.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 66.8 mt -61.06 -40.53 94.02 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.614 -179.146 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . 0.46 ' O ' ' N ' ' C' ' 48' ' ' PHE . 54.6 t0 -62.82 -32.8 74.07 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.605 -179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 60.9 ttt85 -59.09 -44.43 91.92 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.404 -0.362 . . . . 0.0 110.617 -179.507 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.485 ' N ' HD12 ' C' ' 46' ' ' LEU . 11.3 mp -63.78 -42.11 97.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.429 -0.351 . . . . 0.0 110.654 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -100.74 21.8 12.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.796 -179.652 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.46 ' N ' ' O ' ' C' ' 44' ' ' ASP . 2.4 p90 -50.05 128.48 18.97 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.451 179.577 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 52.7 mtmt . . . . . 0 C--O 1.219 -0.511 0 CA-C-O 117.836 -1.078 . . . . 0.0 110.538 179.928 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 32.8 m . . . . . 0 N--CA 1.491 1.589 0 N-CA-C 109.276 -0.639 . . . . 0.0 109.276 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 17.3 m120 55.67 35.74 25.85 Favored 'General case' 0 C--N 1.331 -0.21 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.526 179.816 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -63.58 -37.97 89.34 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.549 -179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 11.6 t -59.34 -44.05 92.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.639 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 97.0 p -148.14 119.63 7.94 Favored 'General case' 0 C--N 1.332 -0.159 0 CA-C-O 120.797 0.332 . . . . 0.0 110.327 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . 0.501 ' N ' ' OD1' ' D' ' 24' ' ' ASP . 0.8 OUTLIER -62.14 152.09 79.19 Favored Pre-proline 0 C--N 1.327 -0.394 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.491 -179.462 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 40.1 Cg_endo -67.05 -22.15 48.16 Favored 'Trans proline' 0 C--N 1.311 -1.432 0 C-N-CA 122.542 2.161 . . . . 0.0 111.775 179.668 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.559 HD13 ' O ' ' D' ' 26' ' ' LEU . 0.2 OUTLIER -62.05 -47.27 85.46 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-O 121.23 0.538 . . . . 0.0 110.414 -178.682 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 95.6 t -64.08 -44.57 97.72 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.65 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.372 -179.588 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 84.2 t -61.48 -43.99 97.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 115.815 -0.63 . . . . 0.0 110.298 -179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -59.39 -40.3 86.15 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.422 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -55.82 -46.36 78.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.425 -0.352 . . . . 0.0 110.532 -179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 77.9 p -67.21 -39.52 86.31 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.283 -0.417 . . . . 0.0 110.771 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . 0.403 ' O ' ' CB ' ' D' ' 36' ' ' LEU . 94.2 mt -64.54 -42.81 96.25 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.615 179.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . . . . . . . . . 74.6 mt -60.43 -44.97 97.34 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 C-N-CA 120.828 -0.349 . . . . 0.0 110.803 -179.357 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . 0.988 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -72.3 -48.8 23.15 Favored Glycine 0 CA--C 1.524 0.62 0 C-N-CA 120.753 -0.737 . . . . 0.0 111.365 -179.845 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.0 -45.65 93.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-O 120.79 0.328 . . . . 0.0 110.956 -179.286 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . 0.403 ' CB ' ' O ' ' D' ' 32' ' ' ILE . 47.3 tp -63.36 -44.52 94.57 Favored 'General case' 0 C--N 1.325 -0.479 0 CA-C-O 121.027 0.441 . . . . 0.0 110.916 -179.199 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.476 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.6 t60 -60.05 -40.11 88.28 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 115.82 -0.627 . . . . 0.0 110.405 -179.795 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.523 HD21 ' ND1' ' C' ' 37' ' ' HIS . 14.8 mt -61.76 -39.85 93.06 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.005 -179.593 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 93.8 mt -58.93 -47.46 89.6 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.854 0 C-N-CA 120.177 -0.609 . . . . 0.0 110.445 -179.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 88.7 mt -72.45 -43.83 63.23 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-O 121.073 0.464 . . . . 0.0 111.21 -179.861 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 81.9 t90 -66.11 -35.37 80.33 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-N 115.831 -0.622 . . . . 0.0 110.939 -179.556 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.405 ' CG1' ' O ' ' D' ' 38' ' ' LEU . 2.6 mm -63.61 -44.72 98.65 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.706 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.187 -179.547 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 65.8 mt -61.23 -40.29 93.46 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.626 -179.057 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . 0.445 ' O ' ' N ' ' D' ' 48' ' ' PHE . 55.5 t0 -63.1 -32.89 74.37 Favored 'General case' 0 C--N 1.323 -0.563 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.552 -179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.401 HH12 ' HB2' ' C' ' 44' ' ' ASP . 61.0 ttt85 -58.97 -44.48 91.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.34 -0.391 . . . . 0.0 110.551 -179.477 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.492 HD12 ' N ' ' D' ' 46' ' ' LEU . 11.3 mp -63.66 -42.27 98.1 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 120.827 0.346 . . . . 0.0 110.704 179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 98.6 m-85 -100.66 21.59 13.19 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.779 -179.627 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.445 ' N ' ' O ' ' D' ' 44' ' ' ASP . 2.4 p90 -49.69 128.46 17.94 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.383 179.551 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 52.6 mtmt . . . . . 0 C--O 1.22 -0.479 0 CA-C-O 117.824 -1.084 . . . . 0.0 110.489 179.83 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 0.988 'BR ' ' HA3' ' D' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 5.9 p . . . . . 0 N--CA 1.491 1.593 0 N-CA-C 109.342 -0.614 . . . . 0.0 109.342 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 91.6 m-20 -67.28 -24.38 65.77 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.562 -180.0 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.6 m-20 -62.12 -40.43 95.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.398 -179.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 23' ' ' SER . 78.1 p -62.71 -38.61 91.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.797 179.834 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . 0.431 ' O ' ' O ' ' A' ' 22' ' ' SER . 24.2 p 45.12 97.72 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.656 179.924 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 5.6 m-20 -76.68 151.47 82.61 Favored Pre-proline 0 C--N 1.328 -0.358 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.604 -179.631 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 38.1 Cg_endo -66.22 -20.72 55.82 Favored 'Trans proline' 0 C--N 1.308 -1.569 0 C-N-CA 122.787 2.325 . . . . 0.0 112.008 179.838 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . 0.552 ' N ' HD12 ' A' ' 26' ' ' LEU . 9.2 mp -67.14 -39.92 86.64 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.429 -179.544 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 98.3 t -64.14 -55.78 20.07 Favored 'Isoleucine or valine' 0 C--O 1.235 0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.84 -178.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . 0.531 HG13 ' N ' ' A' ' 29' ' ' ALA . 7.2 p -64.21 -42.95 97.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.548 -179.976 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . 0.531 ' N ' HG13 ' A' ' 28' ' ' VAL . . . -57.39 -44.23 84.33 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.438 -179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.28 -50.77 66.49 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.339 -0.391 . . . . 0.0 110.564 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 49.4 m -60.52 -42.75 97.07 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.704 179.63 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 94.0 mt -63.19 -42.48 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.428 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.529 HG23 HD11 ' B' ' 38' ' ' LEU . 72.3 mt -60.99 -43.92 97.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.641 -179.64 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -65.01 -52.62 39.98 Favored Glycine 0 CA--C 1.522 0.511 0 N-CA-C 111.134 -0.786 . . . . 0.0 111.134 -179.442 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . . . . . . . . . 97.4 mt -65.72 -44.42 93.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-O 120.841 0.353 . . . . 0.0 110.659 -179.69 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.75 -44.6 95.77 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.077 -179.096 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.677 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.5 t60 -64.5 -38.91 92.65 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.912 -0.585 . . . . 0.0 110.498 -179.786 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.645 HD21 ' ND1' ' D' ' 37' ' ' HIS . 11.8 mt -61.35 -39.93 92.4 Favored 'General case' 0 C--O 1.219 -0.547 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.137 -179.535 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 88.4 mt -62.04 -44.05 98.47 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 121.14 0.495 . . . . 0.0 110.365 -179.463 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 54.4 mt -73.77 -41.17 62.8 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 120.944 0.402 . . . . 0.0 110.847 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . . . . . . . . . 72.0 t90 -70.48 -45.86 64.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.925 -0.58 . . . . 0.0 111.575 -178.558 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.55 HG22 ' O ' ' A' ' 38' ' ' LEU . 18.2 tt -63.56 -39.9 87.07 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.627 0 CA-C-N 115.936 -0.575 . . . . 0.0 110.293 -178.613 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . 0.446 ' N ' HG23 ' A' ' 42' ' ' ILE . 35.7 mt -62.44 -41.57 98.82 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.681 -179.856 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 67.2 t0 -59.94 -42.22 93.54 Favored 'General case' 0 C--N 1.326 -0.423 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.555 -179.829 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -65.84 -23.74 66.74 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.541 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . 0.638 HD23 ' O ' ' A' ' 46' ' ' LEU . 2.0 tt -61.79 -45.86 92.06 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-O 121.051 0.453 . . . . 0.0 110.291 -179.338 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 91.0 m-85 -62.9 -41.59 99.49 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.598 179.934 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -79.9 144.43 33.4 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.471 -179.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 44.7 mmtm . . . . . 0 C--O 1.22 -0.469 0 CA-C-O 117.952 -1.023 . . . . 0.0 110.523 -179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 5.0 p . . . . . 0 N--CA 1.49 1.532 0 N-CA-C 109.288 -0.634 . . . . 0.0 109.288 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 92.0 m-20 -66.99 -25.01 66.1 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.411 179.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -61.59 -41.21 97.1 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.342 -179.686 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . 0.434 ' O ' ' O ' ' B' ' 23' ' ' SER . 78.1 p -61.92 -38.83 89.89 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.567 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . 0.437 ' O ' ' OG ' ' B' ' 23' ' ' SER . 20.6 p 45.52 97.48 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.696 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -76.61 151.44 82.76 Favored Pre-proline 0 N--CA 1.452 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.632 -179.626 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 37.8 Cg_endo -66.11 -21.11 56.26 Favored 'Trans proline' 0 C--N 1.309 -1.514 0 C-N-CA 122.783 2.322 . . . . 0.0 111.992 179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . 0.546 ' N ' HD12 ' B' ' 26' ' ' LEU . 9.3 mp -66.62 -39.95 88.57 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.304 -0.407 . . . . 0.0 110.507 -179.552 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 97.1 t -64.19 -55.77 20.08 Favored 'Isoleucine or valine' 0 C--O 1.234 0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.881 -178.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . 0.53 HG13 ' N ' ' B' ' 29' ' ' ALA . 7.2 p -64.11 -43.04 97.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.611 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . 0.53 ' N ' HG13 ' B' ' 28' ' ' VAL . . . -57.33 -44.57 84.35 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.405 -179.883 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.02 -50.3 66.98 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.333 -0.394 . . . . 0.0 110.646 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 48.9 m -61.36 -42.4 98.64 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.681 179.661 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 95.7 mt -63.14 -42.28 95.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.355 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.507 HG23 HD11 ' C' ' 38' ' ' LEU . 73.7 mt -61.28 -44.01 97.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.625 -179.622 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.74 -52.66 40.49 Favored Glycine 0 CA--C 1.523 0.589 0 N-CA-C 111.02 -0.832 . . . . 0.0 111.02 -179.516 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.85 -44.66 92.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-O 120.942 0.401 . . . . 0.0 110.718 -179.585 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 6.0 tt -62.51 -44.89 95.27 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.055 -179.158 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.673 ' ND1' HD21 ' C' ' 38' ' ' LEU . 7.3 t60 -64.12 -39.57 94.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.895 -0.593 . . . . 0.0 110.481 -179.785 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.677 HD21 ' ND1' ' A' ' 37' ' ' HIS . 11.4 mt -60.77 -40.08 91.17 Favored 'General case' 0 C--O 1.218 -0.58 0 CA-C-N 116.287 -0.415 . . . . 0.0 111.082 -179.374 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 87.6 mt -61.85 -43.89 98.04 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.776 0 CA-C-O 121.028 0.442 . . . . 0.0 110.357 -179.308 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 53.6 mt -73.93 -41.41 62.08 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 120.982 0.42 . . . . 0.0 110.875 179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . . . . . . . . . 71.8 t90 -70.05 -45.91 66.13 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.567 -178.574 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.533 HG22 ' O ' ' B' ' 38' ' ' LEU . 18.1 tt -63.47 -40.49 89.24 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.562 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.326 -178.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . 0.458 ' N ' HG23 ' B' ' 42' ' ' ILE . 35.8 mt -61.86 -41.38 97.77 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.595 -179.787 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 66.8 t0 -60.35 -42.2 95.25 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.432 -179.694 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . . . . . . . . . 74.4 ttt180 -65.82 -23.77 66.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.33 -0.395 . . . . 0.0 110.494 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . 0.629 HD23 ' O ' ' B' ' 46' ' ' LEU . 2.0 tt -61.72 -46.03 91.41 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 121.098 0.475 . . . . 0.0 110.333 -179.328 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 91.4 m-85 -62.72 -42.07 99.47 Favored 'General case' 0 C--N 1.326 -0.433 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.507 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . . . . . . . . . 20.0 m-85 -79.4 144.81 33.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.555 -179.795 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 44.4 mmtm . . . . . 0 C--O 1.22 -0.468 0 CA-C-O 117.89 -1.052 . . . . 0.0 110.464 -179.965 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 5.7 p . . . . . 0 N--CA 1.489 1.521 0 N-CA-C 109.422 -0.584 . . . . 0.0 109.422 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 90.2 m-20 -67.04 -24.97 66.05 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.521 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 99.5 m-20 -61.51 -40.62 95.29 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.47 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . 0.435 ' O ' ' O ' ' C' ' 23' ' ' SER . 78.1 p -62.58 -38.49 90.32 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.656 179.933 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . 0.435 ' O ' ' O ' ' C' ' 22' ' ' SER . 24.5 p 45.06 97.48 0.01 OUTLIER 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.676 179.98 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 5.0 m-20 -76.32 151.85 83.55 Favored Pre-proline 0 N--CA 1.452 -0.356 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.595 -179.637 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 38.5 Cg_endo -66.52 -20.77 53.75 Favored 'Trans proline' 0 C--N 1.31 -1.475 0 C-N-CA 122.677 2.251 . . . . 0.0 112.04 179.662 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . 0.542 ' N ' HD12 ' C' ' 26' ' ' LEU . 9.3 mp -67.01 -40.09 87.21 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.485 -179.521 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 97.9 t -63.94 -55.84 20.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.894 -178.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . 0.541 HG13 ' N ' ' C' ' 29' ' ' ALA . 7.5 p -64.23 -42.99 97.17 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.398 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.472 -179.929 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . 0.541 ' N ' HG13 ' C' ' 28' ' ' VAL . . . -57.4 -44.31 84.42 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 115.942 -0.572 . . . . 0.0 110.443 -179.869 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.21 -50.52 66.91 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.563 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 49.3 m -60.99 -42.85 99.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.619 179.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.11 -42.19 95.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.311 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.531 HG23 HD11 ' D' ' 38' ' ' LEU . 72.4 mt -61.17 -43.58 96.65 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.367 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.725 -179.682 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . 0.654 ' CA ' 'BR ' ' C' ' 100' ' ' 3LW . . . -65.4 -52.63 38.27 Favored Glycine 0 CA--C 1.522 0.52 0 N-CA-C 111.117 -0.793 . . . . 0.0 111.117 -179.493 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . . . . . . . . . 97.1 mt -65.6 -44.61 93.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 120.877 0.37 . . . . 0.0 110.653 -179.724 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 6.1 tt -62.6 -44.59 95.92 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.067 -179.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.658 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.5 t60 -64.24 -39.3 93.68 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.819 -0.628 . . . . 0.0 110.456 -179.852 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.673 HD21 ' ND1' ' B' ' 37' ' ' HIS . 11.4 mt -61.28 -39.69 91.36 Favored 'General case' 0 C--O 1.219 -0.523 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.109 -179.332 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 88.2 mt -62.25 -43.81 98.4 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-O 120.938 0.399 . . . . 0.0 110.287 -179.445 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 55.4 mt -73.95 -41.26 62.26 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 120.952 0.406 . . . . 0.0 110.877 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . . . . . . . . . 72.1 t90 -70.29 -46.26 64.66 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.588 -178.645 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.551 HG22 ' O ' ' C' ' 38' ' ' LEU . 18.3 tt -63.18 -40.19 88.08 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.643 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.423 -178.65 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . 0.461 ' N ' HG23 ' C' ' 42' ' ' ILE . 35.3 mt -62.13 -41.52 98.33 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.619 -179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 68.3 t0 -60.14 -41.97 93.84 Favored 'General case' 0 C--N 1.326 -0.437 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.465 -179.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . . . . . . . . . 73.7 ttt180 -66.01 -23.65 66.6 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.971 0.415 . . . . 0.0 110.597 179.892 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . 0.64 HD23 ' O ' ' C' ' 46' ' ' LEU . 2.0 tt -61.9 -45.87 91.86 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 121.024 0.44 . . . . 0.0 110.332 -179.35 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 90.8 m-85 -62.81 -41.66 99.39 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.604 179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -79.67 145.07 33.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.508 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 44.9 mmtm . . . . . 0 C--O 1.221 -0.435 0 CA-C-O 117.845 -1.074 . . . . 0.0 110.501 -179.851 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 5.4 p . . . . . 0 N--CA 1.491 1.601 0 N-CA-C 109.398 -0.593 . . . . 0.0 109.398 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 91.9 m-20 -67.08 -25.19 66.11 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.446 179.852 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -61.25 -41.08 96.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.411 -179.66 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . 0.435 ' O ' ' O ' ' D' ' 23' ' ' SER . 78.1 p -61.94 -39.17 91.16 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.591 179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . 0.435 ' O ' ' O ' ' D' ' 22' ' ' SER . 22.0 p 45.64 97.49 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.682 179.975 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 5.3 m-20 -76.47 151.9 83.25 Favored Pre-proline 0 N--CA 1.452 -0.373 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.671 -179.605 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 38.3 Cg_endo -66.43 -20.96 54.24 Favored 'Trans proline' 0 C--N 1.308 -1.568 0 C-N-CA 122.715 2.277 . . . . 0.0 112.0 179.736 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . 0.554 ' N ' HD12 ' D' ' 26' ' ' LEU . 9.2 mp -66.97 -39.74 87.27 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.467 -179.477 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 95.1 t -64.36 -55.52 21.2 Favored 'Isoleucine or valine' 0 C--O 1.235 0.327 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.842 -178.622 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . 0.533 HG13 ' N ' ' D' ' 29' ' ' ALA . 7.3 p -64.37 -42.94 96.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.346 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.581 179.938 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . 0.533 ' N ' HG13 ' D' ' 28' ' ' VAL . . . -57.54 -44.24 85.02 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.861 -0.608 . . . . 0.0 110.423 -179.832 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . . . . . . . . . . . -54.19 -50.36 67.23 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.564 -179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 49.1 m -61.27 -42.49 98.72 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.676 179.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 95.5 mt -63.2 -42.31 96.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.314 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.527 HG23 HD11 ' A' ' 38' ' ' LEU . 72.7 mt -61.16 -44.04 97.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-N 116.324 -0.398 . . . . 0.0 110.568 -179.598 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . . . . . . . . . . . -64.93 -52.73 39.27 Favored Glycine 0 CA--C 1.523 0.537 0 N-CA-C 111.077 -0.809 . . . . 0.0 111.077 -179.543 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . . . . . . . . . 96.8 mt -65.4 -44.93 94.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-O 120.978 0.418 . . . . 0.0 110.739 -179.735 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 6.2 tt -62.37 -45.02 95.06 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.089 -0.505 . . . . 0.0 111.072 -179.211 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.645 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.4 t60 -63.8 -39.49 94.37 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.435 -179.725 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.658 HD21 ' ND1' ' C' ' 37' ' ' HIS . 11.7 mt -61.11 -39.93 91.82 Favored 'General case' 0 C--O 1.22 -0.478 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.243 -179.313 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 88.7 mt -61.8 -43.93 98.04 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.807 0 CA-C-O 121.107 0.479 . . . . 0.0 110.316 -179.409 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 55.2 mt -73.94 -41.43 62.04 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.992 0.425 . . . . 0.0 110.82 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . . . . . . . . . 72.2 t90 -70.17 -45.72 66.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.634 -178.634 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.553 HG22 ' O ' ' D' ' 38' ' ' LEU . 18.1 tt -63.81 -39.59 85.97 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.648 0 CA-C-N 115.945 -0.571 . . . . 0.0 110.342 -178.628 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . 0.444 ' N ' HG23 ' D' ' 42' ' ' ILE . 35.6 mt -62.78 -40.87 98.67 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.737 -179.947 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 67.8 t0 -60.85 -41.86 96.7 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.499 -179.745 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . . . . . . . . . 74.6 ttt180 -66.02 -23.67 66.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.563 179.806 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . 0.632 HD23 ' O ' ' D' ' 46' ' ' LEU . 2.0 tt -62.04 -45.73 92.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.24 -179.148 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 91.3 m-85 -62.73 -42.16 99.52 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.619 179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . . . . . . . . . 19.6 m-85 -79.42 144.93 33.64 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.619 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 44.3 mmtm . . . . . 0 C--O 1.221 -0.426 0 CA-C-O 117.913 -1.041 . . . . 0.0 110.467 -179.773 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 0.654 'BR ' ' CA ' ' C' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.491 1.595 0 N-CA-C 109.421 -0.585 . . . . 0.0 109.421 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.15 -40.16 96.75 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.404 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -61.96 -42.67 99.38 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.042 -0.527 . . . . 0.0 110.517 179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' SER . . . . . . . . . . . . . 35.8 m -60.98 -42.92 99.3 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.85 -179.868 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' SER . . . . . . . . . . . . . 50.7 p -101.12 87.12 3.17 Favored 'General case' 0 N--CA 1.466 0.339 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.12 179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -80.97 150.0 67.92 Favored Pre-proline 0 CA--C 1.535 0.385 0 CA-C-N 116.39 -0.368 . . . . 0.0 110.478 -179.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' PRO . . . . . . . . . . . . . 52.5 Cg_endo -68.21 -16.97 45.05 Favored 'Trans proline' 0 N--CA 1.497 1.698 0 C-N-CA 122.672 2.248 . . . . 0.0 112.191 179.822 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.27 -42.09 99.04 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.706 -179.272 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' VAL . . . . . . . . . . . . . 87.1 t -62.82 -47.18 94.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-O 120.924 0.392 . . . . 0.0 110.217 179.766 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' VAL . . . . . . . . . . . . . 92.3 t -65.97 -43.43 92.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.239 0 CA-C-N 116.039 -0.528 . . . . 0.0 110.329 179.712 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.56 -31.02 63.79 Favored 'General case' 0 C--N 1.331 -0.219 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.349 -179.745 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.68 -42.04 61.84 Favored 'General case' 0 C--N 1.326 -0.444 0 C-N-CA 120.455 -0.498 . . . . 0.0 110.562 179.514 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' SER . . . . . . . . . . . . . 78.1 p -68.41 -44.36 75.19 Favored 'General case' 0 N--CA 1.464 0.233 0 CA-C-N 116.181 -0.463 . . . . 0.0 112.007 -179.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.25 -35.89 76.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 C-N-CA 120.972 -0.291 . . . . 0.0 110.546 -179.443 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' ILE . . . . . 0.592 HG23 HD11 ' B' ' 38' ' ' LEU . 31.8 mt -62.2 -45.71 98.12 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 N-CA-C 110.071 -0.344 . . . . 0.0 110.071 179.902 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.74 -52.01 55.12 Favored Glycine 0 CA--C 1.524 0.637 0 C-N-CA 120.528 -0.844 . . . . 0.0 111.171 -179.374 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ILE . . . . . 0.409 HD11 HD11 ' D' ' 33' ' ' ILE . 37.5 mm -68.42 -44.34 83.43 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 C-N-CA 120.971 -0.292 . . . . 0.0 110.842 -179.912 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 57.2 tp -62.18 -46.38 89.18 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.809 0.338 . . . . 0.0 110.607 -179.351 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' HIS . . . . . 0.63 ' ND1' HD21 ' B' ' 38' ' ' LEU . 7.8 t60 -64.93 -41.49 95.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.246 179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' LEU . . . . . 0.577 HD11 HG23 ' D' ' 33' ' ' ILE . 9.4 mt -60.92 -40.94 95.07 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.362 -0.381 . . . . 0.0 111.406 -179.113 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ILE . . . . . . . . . . . . . 80.1 mt -62.87 -44.56 99.66 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.577 0 C-N-CA 120.529 -0.468 . . . . 0.0 110.227 -179.743 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.76 -43.28 69.13 Favored 'General case' 0 CA--C 1.534 0.365 0 C-N-CA 120.795 -0.362 . . . . 0.0 111.206 179.128 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' TRP . . . . . 0.415 ' CE3' ' CE1' ' D' ' 37' ' ' HIS . 71.5 t90 -69.06 -46.75 67.05 Favored 'General case' 0 C--N 1.331 -0.232 0 CA-C-N 116.582 -0.281 . . . . 0.0 111.493 -179.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ILE . . . . . 0.546 HG22 ' O ' ' A' ' 38' ' ' LEU . 16.3 tt -65.24 -39.67 86.18 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.55 0 CA-C-O 120.953 0.406 . . . . 0.0 110.291 -179.324 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' LEU . . . . . . . . . . . . . 54.7 tp -62.12 -41.66 98.45 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.35 -179.72 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.21 -41.22 98.17 Favored 'General case' 0 C--N 1.325 -0.468 0 C-N-CA 120.667 -0.413 . . . . 0.0 110.482 -179.767 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' ARG . . . . . 0.422 ' O ' ' O ' ' A' ' 48' ' ' PHE . 54.3 ttp180 -77.34 -15.61 59.31 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.314 -0.403 . . . . 0.0 110.852 -179.825 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LEU . . . . . . . . . . . . . 48.3 tp -60.43 -47.37 86.41 Favored 'General case' 0 C--N 1.331 -0.212 0 C-N-CA 120.607 -0.437 . . . . 0.0 110.294 -179.261 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -74.19 -40.61 62.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.944 179.581 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PHE . . . . . 0.422 ' O ' ' O ' ' A' ' 45' ' ' ARG . 2.9 m-85 -114.03 126.29 54.95 Favored 'General case' 0 N--CA 1.466 0.327 0 CA-C-N 116.341 -0.39 . . . . 0.0 110.439 -179.62 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 mttp . . . . . 0 C--O 1.22 -0.482 0 CA-C-O 118.03 -0.986 . . . . 0.0 110.451 179.761 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 19' ' ' SER . . . . . . . . . . . . . 13.3 p . . . . . 0 N--CA 1.491 1.616 0 N-CA-C 109.388 -0.597 . . . . 0.0 109.388 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 20' ' ' ASN . . . . . . . . . . . . . 98.8 m-20 -63.06 -40.19 96.95 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.473 179.968 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 21' ' ' ASP . . . . . . . . . . . . . 99.1 m-20 -62.1 -42.48 99.26 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.526 -179.983 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 22' ' ' SER . . . . . . . . . . . . . 36.7 m -61.1 -42.84 99.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.29 -0.414 . . . . 0.0 110.826 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 23' ' ' SER . . . . . . . . . . . . . 51.1 p -101.13 86.92 3.13 Favored 'General case' 0 N--CA 1.465 0.292 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.103 179.886 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 24' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.84 149.91 68.19 Favored Pre-proline 0 CA--C 1.536 0.432 0 CA-C-N 116.474 -0.33 . . . . 0.0 110.462 -179.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 25' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -68.13 -17.06 45.49 Favored 'Trans proline' 0 N--CA 1.497 1.711 0 C-N-CA 122.693 2.262 . . . . 0.0 112.145 179.778 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 26' ' ' LEU . . . . . . . . . . . . . 78.7 mt -62.21 -42.08 98.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.717 -179.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 27' ' ' VAL . . . . . . . . . . . . . 87.9 t -62.85 -47.09 94.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.36 0 CA-C-O 120.938 0.399 . . . . 0.0 110.196 179.817 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 28' ' ' VAL . . . . . . . . . . . . . 91.9 t -66.0 -43.34 92.66 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.223 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.349 179.649 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.67 -30.79 63.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.259 -179.677 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 30' ' ' ALA . . . . . . . . . . . . . . . -74.01 -41.96 61.07 Favored 'General case' 0 C--N 1.324 -0.5 0 C-N-CA 120.49 -0.484 . . . . 0.0 110.52 179.61 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 31' ' ' SER . . . . . . . . . . . . . 77.6 p -68.42 -44.39 75.11 Favored 'General case' 0 C--N 1.332 -0.165 0 CA-C-N 116.262 -0.426 . . . . 0.0 112.025 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 32' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.42 -35.76 76.08 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 C-N-CA 120.771 -0.372 . . . . 0.0 110.573 -179.35 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 33' ' ' ILE . . . . . 0.593 HG23 HD11 ' C' ' 38' ' ' LEU . 32.0 mt -62.23 -45.57 98.46 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 C-N-CA 120.882 -0.327 . . . . 0.0 110.198 179.769 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.85 -52.03 54.9 Favored Glycine 0 CA--C 1.527 0.813 0 C-N-CA 120.619 -0.8 . . . . 0.0 111.128 -179.448 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 35' ' ' ILE . . . . . 0.46 HD11 HD11 ' A' ' 33' ' ' ILE . 38.8 mm -68.31 -44.46 83.72 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.353 0 CA-C-O 120.798 0.333 . . . . 0.0 110.905 179.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.13 -46.38 89.3 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 120.881 0.372 . . . . 0.0 110.58 -179.306 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 37' ' ' HIS . . . . . 0.55 ' ND1' HD21 ' C' ' 38' ' ' LEU . 8.0 t60 -65.1 -41.34 95.02 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.418 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 38' ' ' LEU . . . . . 0.63 HD21 ' ND1' ' A' ' 37' ' ' HIS . 8.8 mt -60.96 -40.93 95.22 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.373 -0.376 . . . . 0.0 111.37 -179.25 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 39' ' ' ILE . . . . . . . . . . . . . 80.6 mt -62.99 -44.42 99.65 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.556 0 C-N-CA 120.41 -0.516 . . . . 0.0 110.22 -179.722 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.82 -43.39 68.69 Favored 'General case' 0 C--N 1.326 -0.447 0 C-N-CA 120.843 -0.343 . . . . 0.0 111.145 179.216 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 41' ' ' TRP . . . . . 0.407 ' CE3' ' CE1' ' A' ' 37' ' ' HIS . 71.5 t90 -68.86 -46.8 67.54 Favored 'General case' 0 C--N 1.333 -0.143 0 CA-C-N 116.601 -0.272 . . . . 0.0 111.647 -179.296 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 42' ' ' ILE . . . . . 0.551 HG22 ' O ' ' B' ' 38' ' ' LEU . 16.3 tt -65.22 -39.72 86.36 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 C-N-CA 120.838 -0.345 . . . . 0.0 110.276 -179.387 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 43' ' ' LEU . . . . . . . . . . . . . 55.0 tp -62.05 -41.62 98.32 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.434 -179.718 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.18 -41.18 98.08 Favored 'General case' 0 C--N 1.326 -0.427 0 C-N-CA 120.626 -0.43 . . . . 0.0 110.594 -179.772 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 45' ' ' ARG . . . . . 0.419 ' O ' ' O ' ' B' ' 48' ' ' PHE . 54.4 ttp180 -77.4 -15.55 59.3 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.899 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 46' ' ' LEU . . . . . . . . . . . . . 48.2 tp -60.37 -47.52 85.72 Favored 'General case' 0 C--N 1.33 -0.26 0 C-N-CA 120.63 -0.428 . . . . 0.0 110.277 -179.327 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 47' ' ' PHE . . . . . . . . . . . . . 39.9 m-85 -74.0 -40.69 62.77 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.036 179.484 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 48' ' ' PHE . . . . . 0.419 ' O ' ' O ' ' B' ' 45' ' ' ARG . 2.9 m-85 -114.01 126.37 55.05 Favored 'General case' 0 N--CA 1.467 0.378 0 CA-C-N 116.319 -0.4 . . . . 0.0 110.427 -179.631 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 mttp . . . . . 0 C--O 1.219 -0.528 0 CA-C-O 118.033 -0.984 . . . . 0.0 110.47 179.784 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 19' ' ' SER . . . . . . . . . . . . . 13.6 p . . . . . 0 N--CA 1.49 1.552 0 N-CA-C 109.464 -0.569 . . . . 0.0 109.464 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 20' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.21 -40.19 96.77 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.344 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 21' ' ' ASP . . . . . . . . . . . . . 99.4 m-20 -62.1 -42.52 99.3 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.538 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 22' ' ' SER . . . . . . . . . . . . . 35.1 m -61.0 -42.93 99.39 Favored 'General case' 0 C--N 1.332 -0.19 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.799 -179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 23' ' ' SER . . . . . . . . . . . . . 50.7 p -101.07 87.02 3.16 Favored 'General case' 0 N--CA 1.466 0.333 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.129 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 24' ' ' ASP . . . . . . . . . . . . . 6.2 m-20 -80.86 149.9 68.1 Favored Pre-proline 0 CA--C 1.537 0.466 0 CA-C-N 116.408 -0.36 . . . . 0.0 110.473 -179.634 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 25' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -68.23 -16.92 44.89 Favored 'Trans proline' 0 N--CA 1.496 1.671 0 C-N-CA 122.727 2.285 . . . . 0.0 112.148 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 26' ' ' LEU . . . . . . . . . . . . . 79.6 mt -62.29 -42.17 99.12 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.286 -0.415 . . . . 0.0 110.702 -179.302 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 27' ' ' VAL . . . . . . . . . . . . . 90.9 t -62.82 -47.08 94.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.892 0.377 . . . . 0.0 110.23 179.759 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 28' ' ' VAL . . . . . . . . . . . . . 92.9 t -65.95 -43.44 92.8 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.402 179.62 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.51 -30.98 63.64 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.314 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 30' ' ' ALA . . . . . . . . . . . . . . . -73.76 -42.08 61.57 Favored 'General case' 0 C--N 1.325 -0.477 0 C-N-CA 120.479 -0.488 . . . . 0.0 110.582 179.537 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 31' ' ' SER . . . . . . . . . . . . . 77.8 p -68.45 -44.19 75.44 Favored 'General case' 0 N--CA 1.463 0.185 0 CA-C-N 116.261 -0.427 . . . . 0.0 112.076 -179.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 32' ' ' ILE . . . . . . . . . . . . . 20.4 tt -65.45 -35.97 76.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 C-N-CA 120.741 -0.384 . . . . 0.0 110.468 -179.435 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 33' ' ' ILE . . . . . 0.567 HG23 HD11 ' D' ' 38' ' ' LEU . 32.5 mt -62.07 -45.69 98.15 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 C-N-CA 120.893 -0.323 . . . . 0.0 110.154 179.87 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 34' ' ' GLY . . . . . . . . . . . . . . . -60.49 -52.3 53.42 Favored Glycine 0 CA--C 1.526 0.728 0 C-N-CA 120.653 -0.784 . . . . 0.0 111.153 -179.528 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 35' ' ' ILE . . . . . 0.482 HD11 HD11 ' B' ' 33' ' ' ILE . 39.2 mm -68.25 -44.41 83.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-O 120.71 0.291 . . . . 0.0 110.969 -179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 36' ' ' LEU . . . . . . . . . . . . . 56.6 tp -62.12 -46.45 88.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.841 0.353 . . . . 0.0 110.67 -179.357 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 37' ' ' HIS . . . . . 0.619 ' ND1' HD21 ' D' ' 38' ' ' LEU . 7.9 t60 -64.97 -41.2 95.65 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.389 179.862 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 38' ' ' LEU . . . . . 0.593 HD11 HG23 ' B' ' 33' ' ' ILE . 9.3 mt -60.98 -41.1 95.77 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-N 116.389 -0.369 . . . . 0.0 111.304 -179.205 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 39' ' ' ILE . . . . . . . . . . . . . 80.4 mt -62.8 -44.48 99.55 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.528 0 C-N-CA 120.47 -0.492 . . . . 0.0 110.134 -179.615 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.85 -43.3 68.76 Favored 'General case' 0 C--N 1.327 -0.408 0 C-N-CA 120.817 -0.353 . . . . 0.0 111.177 179.251 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 41' ' ' TRP . . . . . 0.42 ' CE3' ' CE1' ' B' ' 37' ' ' HIS . 71.9 t90 -68.94 -46.76 67.38 Favored 'General case' 0 C--N 1.332 -0.196 0 CA-C-N 116.636 -0.256 . . . . 0.0 111.623 -179.319 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 42' ' ' ILE . . . . . 0.56 HG22 ' O ' ' C' ' 38' ' ' LEU . 16.3 tt -65.22 -39.68 86.24 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 C-N-CA 120.734 -0.386 . . . . 0.0 110.327 -179.418 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 43' ' ' LEU . . . . . . . . . . . . . 54.8 tp -62.09 -41.59 98.36 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.418 -179.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -62.2 -41.22 98.16 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.751 -0.379 . . . . 0.0 110.592 -179.821 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 45' ' ' ARG . . . . . 0.427 ' O ' ' O ' ' C' ' 48' ' ' PHE . 54.4 ttp180 -77.44 -15.59 59.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.27 -0.423 . . . . 0.0 110.779 -179.804 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 46' ' ' LEU . . . . . . . . . . . . . 47.8 tp -60.42 -47.43 86.13 Favored 'General case' 0 C--N 1.331 -0.23 0 C-N-CA 120.572 -0.451 . . . . 0.0 110.283 -179.299 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 47' ' ' PHE . . . . . . . . . . . . . 39.4 m-85 -74.03 -40.68 62.7 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.973 179.521 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' C' C ' 48' ' ' PHE . . . . . 0.427 ' O ' ' O ' ' C' ' 45' ' ' ARG . 3.0 m-85 -114.1 126.41 55.06 Favored 'General case' 0 N--CA 1.465 0.282 0 CA-C-N 116.315 -0.402 . . . . 0.0 110.423 -179.653 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' C' C ' 49' ' ' LYS . . . . . . . . . . . . . 64.6 mttp . . . . . 0 C--O 1.22 -0.459 0 CA-C-O 118.004 -0.998 . . . . 0.0 110.479 179.806 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 19' ' ' SER . . . . . . . . . . . . . 13.4 p . . . . . 0 N--CA 1.49 1.569 0 N-CA-C 109.413 -0.588 . . . . 0.0 109.413 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' D' D ' 20' ' ' ASN . . . . . . . . . . . . . 98.9 m-20 -63.09 -40.2 96.95 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.384 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 21' ' ' ASP . . . . . . . . . . . . . 99.2 m-20 -62.02 -42.58 99.32 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.535 -179.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 22' ' ' SER . . . . . . . . . . . . . 38.9 m -61.05 -42.92 99.39 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.741 -179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 23' ' ' SER . . . . . . . . . . . . . 50.2 p -101.18 87.49 3.26 Favored 'General case' 0 N--CA 1.465 0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.014 179.893 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 24' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -81.21 150.06 67.21 Favored Pre-proline 0 CA--C 1.536 0.433 0 CA-C-N 116.405 -0.362 . . . . 0.0 110.429 -179.598 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 25' ' ' PRO . . . . . . . . . . . . . 52.7 Cg_endo -68.37 -16.85 44.09 Favored 'Trans proline' 0 N--CA 1.497 1.68 0 C-N-CA 122.71 2.273 . . . . 0.0 112.077 179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 26' ' ' LEU . . . . . . . . . . . . . 79.2 mt -62.42 -42.0 99.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.72 -179.259 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 27' ' ' VAL . . . . . . . . . . . . . 87.7 t -63.1 -46.94 94.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 C-N-CA 120.811 -0.355 . . . . 0.0 110.197 179.843 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 28' ' ' VAL . . . . . . . . . . . . . 92.6 t -65.96 -43.45 92.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.369 179.596 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 29' ' ' ALA . . . . . . . . . . . . . . . -56.6 -30.83 63.65 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.058 -0.519 . . . . 0.0 110.389 -179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 30' ' ' ALA . . . . . 0.409 ' HB1' ' S ' ' C' ' 100' ' ' 3LW . . . -73.84 -42.07 61.38 Favored 'General case' 0 C--N 1.324 -0.51 0 C-N-CA 120.486 -0.486 . . . . 0.0 110.533 179.519 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 31' ' ' SER . . . . . . . . . . . . . 77.9 p -68.6 -44.27 74.68 Favored 'General case' 0 N--CA 1.463 0.198 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.948 -179.142 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 32' ' ' ILE . . . . . . . . . . . . . 20.3 tt -65.22 -36.12 76.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.345 0 C-N-CA 120.876 -0.33 . . . . 0.0 110.566 -179.468 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 33' ' ' ILE . . . . . 0.577 HG23 HD11 ' A' ' 38' ' ' LEU . 32.0 mt -62.06 -45.72 98.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 C-N-CA 120.89 -0.324 . . . . 0.0 110.148 179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 34' ' ' GLY . . . . . 0.56 ' HA3' 'BR ' ' C' ' 100' ' ' 3LW . . . -60.62 -52.17 54.15 Favored Glycine 0 CA--C 1.526 0.723 0 C-N-CA 120.644 -0.788 . . . . 0.0 111.198 -179.595 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 35' ' ' ILE . . . . . 0.474 HD11 HD11 ' C' ' 33' ' ' ILE . 39.0 mm -68.3 -44.34 83.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.362 0 C-N-CA 120.902 -0.319 . . . . 0.0 110.873 -179.908 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 36' ' ' LEU . . . . . . . . . . . . . 57.0 tp -62.2 -46.24 89.78 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 120.799 0.333 . . . . 0.0 110.605 -179.339 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 37' ' ' HIS . . . . . 0.557 ' ND1' HD21 ' A' ' 38' ' ' LEU . 7.9 t60 -65.13 -41.34 94.91 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.345 179.863 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 38' ' ' LEU . . . . . 0.619 HD21 ' ND1' ' C' ' 37' ' ' HIS . 8.8 mt -60.88 -41.0 95.14 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 116.393 -0.367 . . . . 0.0 111.389 -179.273 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 39' ' ' ILE . . . . . . . . . . . . . 80.8 mt -62.97 -44.43 99.65 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 C-N-CA 120.555 -0.458 . . . . 0.0 110.225 -179.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 40' ' ' LEU . . . . . . . . . . . . . 4.3 mm? -70.95 -43.24 68.56 Favored 'General case' 0 C--N 1.327 -0.402 0 C-N-CA 120.782 -0.367 . . . . 0.0 111.116 179.195 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 41' ' ' TRP . . . . . 0.405 ' CE3' ' CE1' ' C' ' 37' ' ' HIS . 71.4 t90 -68.96 -46.75 67.37 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.648 -0.251 . . . . 0.0 111.603 -179.252 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 42' ' ' ILE . . . . . 0.559 HG22 ' O ' ' D' ' 38' ' ' LEU . 16.3 tt -65.31 -39.6 85.85 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.466 0 CA-C-O 120.861 0.362 . . . . 0.0 110.351 -179.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 43' ' ' LEU . . . . . . . . . . . . . 54.6 tp -62.17 -41.59 98.46 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.394 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 44' ' ' ASP . . . . . . . . . . . . . 32.7 t70 -62.23 -41.26 98.24 Favored 'General case' 0 C--N 1.325 -0.49 0 C-N-CA 120.688 -0.405 . . . . 0.0 110.553 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 45' ' ' ARG . . . . . 0.429 ' O ' ' O ' ' D' ' 48' ' ' PHE . 54.5 ttp180 -77.37 -15.52 59.34 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.302 -0.408 . . . . 0.0 110.824 -179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 46' ' ' LEU . . . . . . . . . . . . . 48.3 tp -60.36 -47.64 85.16 Favored 'General case' 0 C--N 1.329 -0.298 0 C-N-CA 120.652 -0.419 . . . . 0.0 110.27 -179.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 47' ' ' PHE . . . . . . . . . . . . . 40.1 m-85 -74.0 -40.55 62.85 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.007 179.522 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' D' D ' 48' ' ' PHE . . . . . 0.429 ' O ' ' O ' ' D' ' 45' ' ' ARG . 2.9 m-85 -114.01 126.29 54.96 Favored 'General case' 0 N--CA 1.465 0.304 0 CA-C-N 116.355 -0.384 . . . . 0.0 110.433 -179.601 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' D' D ' 49' ' ' LYS . . . . . . . . . . . . . 64.5 mttp . . . . . 0 C--O 1.222 -0.375 0 CA-C-O 118.037 -0.982 . . . . 0.0 110.447 179.771 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' C' C ' 100' ' ' 3LW . . . . . 0.56 'BR ' ' HA3' ' D' ' 34' ' ' GLY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 1 1 . 1 stop_ save_